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Go to '...' 2. Click on '....' 3. Scroll down to '....' 4. See error **Expected behavior** A clear and concise description of what you expected to happen. **Screenshots** If applicable, add screenshots to help explain your problem. **Additional context** Add any other context about the problem here. **Please consider uploading or linking test files.** avogadrolibs-1.100.0/.github/ISSUE_TEMPLATE/feature_request.md000066400000000000000000000014251474375334400236150ustar00rootroot00000000000000--- name: Feature request about: Suggest an idea for this project --- **Is your feature request related to a problem? Please describe.** A clear and concise description of what the problem is. Ex. I wish Avogadro calculated XYQ moments to render with .. **Describe the solution you'd like** A clear and concise description of what you want to happen. Please be detailed. How might this feature work (e.g., first a window would open and you'd click to …) **Describe alternatives you've considered** A clear and concise description of any alternative solutions or features you've considered. **Additional context** Add any other context or screenshots about the feature request here. Please consider opening a topic on https://discuss.avogadro.cc/ to allow further public discussion avogadrolibs-1.100.0/.github/PULL_REQUEST_TEMPLATE000066400000000000000000000026151474375334400211110ustar00rootroot00000000000000Developer Certificate of Origin Version 1.1 Copyright (C) 2004, 2006 The Linux Foundation and its contributors. 1 Letterman Drive Suite D4700 San Francisco, CA, 94129 Everyone is permitted to copy and distribute verbatim copies of this license document, but changing it is not allowed. Developer's Certificate of Origin 1.1 By making a contribution to this project, I certify that: (a) The contribution was created in whole or in part by me and I have the right to submit it under the open source license indicated in the file; or (b) The contribution is based upon previous work that, to the best of my knowledge, is covered under an appropriate open source license and I have the right under that license to submit that work with modifications, whether created in whole or in part by me, under the same open source license (unless I am permitted to submit under a different license), as indicated in the file; or (c) The contribution was provided directly to me by some other person who certified (a), (b) or (c) and I have not modified it. (d) I understand and agree that this project and the contribution are public and that a record of the contribution (including all personal information I submit with it, including my sign-off) is maintained indefinitely and may be redistributed consistent with this project or the open source license(s) involved. avogadrolibs-1.100.0/.github/codeql-config.yml000066400000000000000000000002531474375334400211400ustar00rootroot00000000000000query-filters: - exclude: id: cpp/integer-multiplication-cast-to-long paths-ignore: - '**/moc_*.*' - '**/ui_*.h' - 'thirdparty/**/*.*' - 'utilities/**/*.*'avogadrolibs-1.100.0/.github/config.yml000066400000000000000000000017701474375334400177000ustar00rootroot00000000000000# Configuration for welcome - https://github.com/behaviorbot/welcome # Configuration for new-issue-welcome - https://github.com/behaviorbot/new-issue-welcome # Comment to be posted to on first time issues newIssueWelcomeComment: > Thanks for opening your first issue here! Please try to include example files and screenshots if possible. If you're looking for support, please post on our forum: https://discuss.avogadro.cc/ # Configuration for new-pr-welcome - https://github.com/behaviorbot/new-pr-welcome # Comment to be posted to on PRs from first time contributors in your repository newPRWelcomeComment: > Thanks for opening this pull request! Please check out our contributing guidelines and check for the automated tests. # Configuration for first-pr-merge - https://github.com/behaviorbot/first-pr-merge # Comment to be posted to on pull requests merged by a first time user firstPRMergeComment: > Congrats on merging your first pull request! 🎉 Thanks for making Avogadro better for everyone! avogadrolibs-1.100.0/.github/dependabot.yml000066400000000000000000000003321474375334400205310ustar00rootroot00000000000000# Set update schedule for GitHub Actions version: 2 updates: - package-ecosystem: "github-actions" directory: "/" schedule: # Check for updates to GitHub Actions every weekday interval: "daily" avogadrolibs-1.100.0/.github/release-drafter.yml000066400000000000000000000021071474375334400214730ustar00rootroot00000000000000name-template: 'Avogadro $RESOLVED_VERSION' tag-template: '$RESOLVED_VERSION' categories: - title: '✨ Features' labels: - 'feature' - 'enhancement' - title: '🐛 Bug Fixes' labels: - 'fix' - 'bugfix' - 'bug' - title: '🚀 Performance Improvements' labels: - 'speed' - title: '🧰 Maintenance' labels: - 'chore' - 'build' - title: '📚 Translations' labels: - 'i18n' autolabeler: - label: 'build' branch: - '/build\/.+/' title: - '/build/i' - label: 'bug' branch: - '/fix\/.+/' title: - '/fix/i' - label: 'i18n' branch: - '/weblate\/.+/' change-template: '- $TITLE @$AUTHOR (#$NUMBER)' change-title-escapes: '\<*_&' # You can add # and @ to disable mentions, and add ` to disable code blocks. version-resolver: major: labels: - 'major' minor: labels: - 'minor' patch: labels: - 'patch' default: minor template: | ## Changes $CHANGES ## Credits Thanks to many contributors, including: $CONTRIBUTORS avogadrolibs-1.100.0/.github/workflows/000077500000000000000000000000001474375334400177405ustar00rootroot00000000000000avogadrolibs-1.100.0/.github/workflows/add_artifact_urls.yml000066400000000000000000000012631474375334400241370ustar00rootroot00000000000000name: add artifact links to pull request and related issues on: workflow_run: workflows: ['CMake Build Matrix'] types: [completed] jobs: artifacts-url-comments: name: add artifact links to pull request and related issues job runs-on: windows-2019 steps: - name: add artifact links to pull request and related issues step uses: tonyhallett/artifacts-url-comments@v1.1.0 env: GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} with: prefix: Here are the build results suffix: Artifacts will only be retained for 90 days. format: name addTo: pullandissues continue-on-error: true avogadrolibs-1.100.0/.github/workflows/build_cmake.yml000066400000000000000000000265531474375334400227350ustar00rootroot00000000000000name: Qt5 Build Matrix # Many thanks to Cristian Adam for examples # e.g. https://github.com/cristianadam/HelloWorld/blob/master/.github/workflows/build_cmake.yml # https://cristianadam.eu/20191222/using-github-actions-with-c-plus-plus-and-cmake/ on: [push, pull_request, workflow_dispatch] env: QT_VERSION: 5.15.2 # this is different from MACOSX_DEPLOYMENT_TARGET to prevent build problems # we set MACOSX_DEPLOYMENT_TARGET later MACOS_TARGET: 10.12 FEATURES: -DBUILD_GPL_PLUGINS=ON -DWITH_COORDGEN=OFF -DUSE_VTK=ON -DUSE_3DCONNEXION=ON -DQT_VERSION=5 CACHE: -DCMAKE_C_COMPILER_LAUNCHER=sccache -DCMAKE_CXX_COMPILER_LAUNCHER=sccache SCCACHE_GHA_ENABLED: "true" concurrency: group: ${{ github.workflow }}-${{ github.ref }} cancel-in-progress: true jobs: build: name: ${{ matrix.config.name }} runs-on: ${{ matrix.config.os }} strategy: fail-fast: false matrix: config: - { name: "macOS Clang", artifact: "macOS.dmg", os: macos-13, cc: "clang", cxx: "clang++", build_type: "Release", cmake_flags: "-G Ninja -DBUILD_MOLEQUEUE=OFF", cpack_flags: "-G DragNDrop", } - { name: "Windows Latest MSVC", artifact: "Win64.exe", os: windows-2019, cc: "cl", cxx: "cl", build_type: "Release", cmake_flags: "-DBUILD_MOLEQUEUE=OFF", build_flags: "-j 2", cpack_flags: "-G NSIS", } - { name: "Ubuntu Address Sanitizer", artifact: "", os: ubuntu-22.04, cc: "gcc", cxx: "g++", build_type: "asan", cmake_flags: "-G Ninja -DENABLE_TESTING=ON -DTEST_QTGL=OFF -USE_SYSTEM_ZLIB=ON", cpack: "", } - { name: "Ubuntu Undefined Behavior Sanitizer", artifact: "", os: ubuntu-22.04, cc: "gcc", cxx: "g++", build_type: "ubsan", cmake_flags: "-G Ninja -DENABLE_TESTING=ON -DTEST_QTGL=OFF -USE_SYSTEM_ZLIB=ON", cpack: "", } steps: - name: Install Dependencies (macOS) if: runner.os == 'macOS' run: | if uname -p | grep -q "arm" ; then export PATH=/opt/homebrew/bin:$PATH else # not self-hosted runner brew install ninja eigen glew fi - name: Install Dependencies (Windows) if: runner.os == 'Windows' run: choco install ninja - name: Install Dependencies (Linux) if: runner.os == 'Linux' run: | sudo add-apt-repository -y universe sudo apt-get -qq update sudo apt-get -qq install ninja-build libeigen3-dev libboost-all-dev libglew-dev libxml2-dev sudo apt-get -qq install qtbase5-dev qtchooser qt5-qmake qtbase5-dev-tools libqt5x11extras5-dev libqt5svg5-dev sudo apt-get -qq install libgcc-10-dev libgcc-9-dev sudo apt install libfuse2 - name: Checkout openchemistry uses: actions/checkout@v4 with: repository: openchemistry/openchemistry submodules: recursive - name: Checkout molecules uses: actions/checkout@v4 with: repository: openchemistry/molecules path: molecules - name: Checkout fragments uses: actions/checkout@v4 with: repository: openchemistry/fragments path: fragments - name: Checkout crystals uses: actions/checkout@v4 with: repository: openchemistry/crystals path: crystals - name: Checkout i18n uses: actions/checkout@v4 with: repository: openchemistry/avogadro-i18n path: avogadro-i18n - name: Checkout avogadroapp uses: actions/checkout@v4 with: repository: openchemistry/avogadroapp path: avogadroapp fetch-depth: 0 - name: Checkout avogadrolibs uses: actions/checkout@v4 with: path: avogadrolibs fetch-depth: 0 - name: Install Qt uses: jurplel/install-qt-action@v3 with: aqtversion: '==3.1.*' cache: true version: ${{ env.QT_VERSION }} - name: Configure MSVC Command Prompt if: runner.os == 'Windows' uses: ilammy/msvc-dev-cmd@v1 with: arch: x64 - name: Grab cache files uses: actions/cache@v4 if: runner.os != 'Windows' with: path: | ${{ runner.workspace }}/build/Downloads key: ${{ matrix.config.name }}-downloads - name: Run sccache-cache uses: mozilla-actions/sccache-action@main - name: Configure run: | if [ ! -d "${{ runner.workspace }}/build" ]; then mkdir "${{ runner.workspace }}/build"; fi cd "${{ runner.workspace }}/build" # won't have any effect except on Mac echo "MACOSX_DEPLOYMENT_TARGET=${{ env.MACOS_TARGET }}" >> $GITHUB_ENV CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake $GITHUB_WORKSPACE ${{env.FEATURES}} ${{env.CACHE}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}} shell: bash - name: Build run: | CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} CMAKE_C_COMPILER_LAUNCHER=sccache CMAKE_CXX_COMPILER_LAUNCHER=sccache cmake --build . --config ${{matrix.config.build_type}} ${{matrix.config.build_flags}} shell: bash working-directory: ${{ runner.workspace }}/build - name: Run tests if: (matrix.config.build_type == 'asan') || (matrix.config.build_type == 'ubsan') shell: cmake -P {0} run: | include(ProcessorCount) ProcessorCount(N) set(ENV{CTEST_OUTPUT_ON_FAILURE} "ON") set(ENV{ASAN_OPTIONS} "new_delete_type_mismatch=0") execute_process( COMMAND ctest -j ${N} WORKING_DIRECTORY ${{ runner.workspace }}/build/avogadrolibs RESULT_VARIABLE result ) if (NOT result EQUAL 0) message(FATAL_ERROR "Running tests failed!") endif() - name: Fix Mac plugins if: runner.os == 'macOS' working-directory: ${{ runner.workspace }}/build/prefix/lib/openbabel run: | for plugin in *.so; do for libpath in `otool -L ${plugin} | grep '/Users/runner/work' | awk '{print $1}'`; do export lib=`echo $libpath | cut -d '/' -f 9`; echo "Fixing $plugin $lib $libpath" install_name_tool -change $libpath @executable_path/../Frameworks/$lib $plugin done done cd .. # build/prefix/lib for plugin in libinchi.?.?.?.dylib libopenbabel.?.?.?.dylib; do for libpath in `otool -L ${plugin} | grep '/Users/runner/work' | awk '{print $1}'`; do export lib=`echo $libpath | cut -d '/' -f 9`; echo "Fixing $plugin $lib $libpath" install_name_tool -change $libpath @executable_path/../Frameworks/$lib $plugin done done otool -L libinchi.?.?.?.dylib otool -L libopenbabel.?.?.?.dylib cp -p libinchi* ../Avogadro2.app/Contents/Frameworks/ cp -p libopenbabel* ../Avogadro2.app/Contents/Frameworks/ # finally, fixup the binaries cd ../bin for exe in obabel obmm eht_bind genXrdPattern; do for libpath in `otool -L ${exe} | grep '/Users/runner/work' | awk '{print $1}'`; do export lib=`echo $libpath | cut -d '/' -f 9`; echo "Fixing $exe $lib $libpath" install_name_tool -change $libpath @executable_path/../Frameworks/$lib $exe done done - name: Install the Apple certificate # From GitHub docs: https://docs.github.com/en/actions/guides/installing-an-apple-certificate-on-macos-runners-for-xcode-development if: runner.os == 'macOS' working-directory: ${{ runner.workspace }}/build env: BUILD_CERTIFICATE_BASE64: ${{ secrets.BUILD_CERTIFICATE_BASE64 }} P12_PASSWORD: ${{ secrets.P12_PASSWORD }} KEYCHAIN_PASSWORD: ${{ secrets.KEYCHAIN_PASSWORD }} NOTARIZE_USERNAME: ${{ secrets.AC_USERNAME }} NOTARIZE_PASSWORD: ${{ secrets.AC_PASSWORD }} CODESIGN_IDENTITY: ${{ secrets.CODESIGN_ID }} PRODUCT_BUNDLE_IDENTIFIER: cc.avogadro run: | # be sure the DMG can be created easily # https://github.com/actions/runner-images/issues/7522#issuecomment-1556766641 echo killing...; sudo pkill -9 XProtect >/dev/null || true; echo waiting...; while pgrep XProtect; do sleep 3; done; # create variables if [ -n "${P12_PASSWORD}" ]; then CERTIFICATE_PATH=$RUNNER_TEMP/build_certificate.p12 KEYCHAIN_PATH=$RUNNER_TEMP/app-signing.keychain-db # import certificate and provisioning profile from secrets echo -n "$BUILD_CERTIFICATE_BASE64" | base64 -d -o $CERTIFICATE_PATH # create temporary keychain if the cert is non-zero if [ -s $CERTIFICATE_PATH ]; then security create-keychain -p "$KEYCHAIN_PASSWORD" $KEYCHAIN_PATH security set-keychain-settings -lut 21600 $KEYCHAIN_PATH security unlock-keychain -p "$KEYCHAIN_PASSWORD" $KEYCHAIN_PATH # import certificate to keychain security import $CERTIFICATE_PATH -P "$P12_PASSWORD" -A -t cert -f pkcs12 -k $KEYCHAIN_PATH security list-keychain -d user -s $KEYCHAIN_PATH # signing occurs via avogadroapp cpack instructions fi # certificate exists fi # password exists - name: Create Mac and Windows Packages if: runner.os == 'Windows' || runner.os == 'macOS' shell: bash run: | if [ -z "${P12_PASSWORD}" ]; then unset CODESIGN_IDENTITY # to prevent cpack failing when trying to sign fi if [ -z "${OPENSSL_ROOT_DIR}" ]; then unset OPENSSL_ROOT_DIR fi [[ ! "${GITHUB_REF}" =~ "tags" ]] && export SNAPSHOT_DATE=`date "+%d-%m-%y"` cpack ${{ matrix.config.cpack_flags }} working-directory: ${{ runner.workspace }}/build/avogadroapp continue-on-error: true env: P12_PASSWORD: ${{ secrets.P12_PASSWORD }} CODESIGN_IDENTITY: ${{ secrets.CODESIGN_ID }} OPENSSL_ROOT_DIR: ${{ matrix.config.ssl_env }} - name: Notarize Mac DMG if: runner.os == 'macOS' run: | # check if we have the password and the username if [ -n "${NOTARIZE_PASSWORD}" ] && [ -n "${NOTARIZE_USERNAME}" ]; then codesign -s "$CODESIGN_IDENTITY" --timestamp Avogadro2*.dmg xcrun notarytool submit Avogadro2*.dmg --apple-id "$NOTARIZE_USERNAME" --team-id "$NOTARIZE_TEAM" --password "$NOTARIZE_PASSWORD" --verbose --wait xcrun stapler staple -v Avogadro2*.dmg fi working-directory: ${{ runner.workspace }}/build/avogadroapp env: NOTARIZE_TEAM: ${{ secrets.AC_TEAM }} NOTARIZE_USERNAME: ${{ secrets.AC_USERNAME }} NOTARIZE_PASSWORD: ${{ secrets.AC_PASSWORD }} CODESIGN_IDENTITY: ${{ secrets.CODESIGN_ID }} continue-on-error: true - name: Upload if: matrix.config.artifact != 0 id: upload-artifact uses: actions/upload-artifact@v4 with: path: ${{ runner.workspace }}/build/avogadroapp/Avogadro*.* name: ${{ matrix.config.artifact }} - name: Cleanup if: ${{ always() }} # To ensure this step runs even when earlier steps fail shell: bash run: | ls -la ./ rm -rf ./* || true rm -rf ./.??* || true ls -la ./ avogadrolibs-1.100.0/.github/workflows/build_linux.yml000066400000000000000000000145451474375334400230120ustar00rootroot00000000000000name: Linux Build Matrix # Many thanks to Cristian Adam for examples # e.g. https://github.com/cristianadam/HelloWorld/blob/master/.github/workflows/build_cmake.yml # https://cristianadam.eu/20191222/using-github-actions-with-c-plus-plus-and-cmake/ on: [push, pull_request, workflow_dispatch] env: QT_VERSION: 6.8.1 FEATURES: -DUSE_VTK=ON -DBUILD_GPL_PLUGINS=ON -DBUILD_MOLEQUEUE=OFF -DWITH_COORDGEN=OFF -DQT_VERSION=6 concurrency: group: ${{ github.workflow }}-${{ github.ref }} cancel-in-progress: true jobs: build: name: ${{ matrix.config.name }} runs-on: ${{ matrix.config.os }} strategy: fail-fast: false matrix: config: - { name: "Ubuntu x86", artifact: "", os: ubuntu-latest, cc: "gcc", cxx: "g++", build_type: "Release", cmake_flags: "-G Ninja", } #- { # name: "Ubuntu ARM", artifact: "", # os: ubuntu-24.04-arm, # cc: "gcc", cxx: "g++", # build_type: "Release", # cmake_flags: "-G Ninja", # } - { name: "AppImage x86", artifact: "Avogadro2-x86_64.AppImage", os: ubuntu-22.04, cc: "gcc", cxx: "g++", build_type: "Release", cmake_flags: "-G Ninja -DINSTALL_BUNDLE_FILES=ON", } #- { # name: "AppImage ARM", artifact: "Avogadro2-arm64.AppImage", # os: ubuntu-22.04-arm, # cc: "gcc", cxx: "g++", # build_type: "Release", # cmake_flags: "-G Ninja -DINSTALL_BUNDLE_FILES=ON", # } - { name: "Ubuntu Address Sanitizer", artifact: "", os: ubuntu-latest, cc: "gcc", cxx: "g++", build_type: "asan", cmake_flags: "-G Ninja -DENABLE_TESTING=ON -DTEST_QTGL=OFF -USE_SYSTEM_ZLIB=ON", } - { name: "Ubuntu Undefined Behavior Sanitizer", artifact: "", os: ubuntu-latest, cc: "gcc", cxx: "g++", build_type: "ubsan", cmake_flags: "-G Ninja -DENABLE_TESTING=ON -DTEST_QTGL=OFF -USE_SYSTEM_ZLIB=ON", } steps: - name: Install Dependencies run: | sudo apt-get -qq update sudo apt-get -qq install ninja-build libeigen3-dev libboost-all-dev libglew-dev libxml2-dev sudo apt-get -qq install libfuse2 - name: Checkout openchemistry uses: actions/checkout@v4 with: repository: openchemistry/openchemistry submodules: recursive path: openchemistry - name: Checkout avogadroapp uses: actions/checkout@v4 with: repository: openchemistry/avogadroapp path: openchemistry/avogadroapp - name: Checkout avogadrolibs uses: actions/checkout@v4 with: path: openchemistry/avogadrolibs - name: Checkout i18n uses: actions/checkout@v4 with: repository: openchemistry/avogadro-i18n path: openchemistry/avogadro-i18n - name: Checkout avogadrogenerators uses: actions/checkout@v4 with: repository: openchemistry/avogenerators path: openchemistry/avogadrogenerators - name: Checkout crystals uses: actions/checkout@v4 with: repository: openchemistry/crystals path: openchemistry/crystals - name: Checkout fragments uses: actions/checkout@v4 with: repository: openchemistry/fragments path: openchemistry/fragments - name: Checkout molecules uses: actions/checkout@v4 with: repository: openchemistry/molecules path: openchemistry/molecules - name: Install Qt uses: jurplel/install-qt-action@v4 with: version: ${{ env.QT_VERSION }} - name: Configure run: | if [ ! -d "${{ runner.workspace }}/build" ]; then mkdir "${{ runner.workspace }}/build"; fi cd "${{ runner.workspace }}/build" CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake $GITHUB_WORKSPACE/openchemistry ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}} shell: bash - name: Build run: | CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake --build . --config ${{matrix.config.build_type}} ${{matrix.config.build_flags}} shell: bash working-directory: ${{ runner.workspace }}/build - name: Run tests if: (matrix.config.build_type == 'asan') || (matrix.config.build_type == 'ubsan') shell: cmake -P {0} run: | include(ProcessorCount) ProcessorCount(N) set(ENV{CTEST_OUTPUT_ON_FAILURE} "ON") set(ENV{ASAN_OPTIONS} "new_delete_type_mismatch=0") execute_process( COMMAND ctest -j ${N} WORKING_DIRECTORY ${{ runner.workspace }}/build/avogadrolibs RESULT_VARIABLE result ) if (NOT result EQUAL 0) message(FATAL_ERROR "Running tests failed!") endif() - name: Package AppImage if: matrix.config.name == 'AppImage x86' shell: bash run: | mkdir appdir mv prefix appdir/usr export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:appdir/usr/lib wget -c -nv "https://github.com/linuxdeploy/linuxdeploy/releases/download/continuous/linuxdeploy-x86_64.AppImage" wget -c -nv "https://github.com/linuxdeploy/linuxdeploy-plugin-qt/releases/download/continuous/linuxdeploy-plugin-qt-x86_64.AppImage" wget -c -nv "https://github.com/AppImage/AppImageKit/releases/download/continuous/appimagetool-x86_64.AppImage" chmod a+x *.AppImage ./linuxdeploy-x86_64.AppImage -d appdir/usr/share/applications/*.desktop --plugin qt --appdir appdir # add the custom AppRun rm appdir/AppRun cp ../avogadrolibs/openchemistry/avogadrolibs/scripts/AppImage.sh appdir/AppRun chmod a+x appdir/AppRun ./appimagetool-x86_64.AppImage appdir mv Avogadro*.AppImage avogadroapp/Avogadro2-x86_64.AppImage # for upload working-directory: ${{ runner.workspace }}/build - name: Upload if: matrix.config.artifact != 0 uses: actions/upload-artifact@v4 with: path: ${{ runner.workspace }}/build/avogadroapp/Avogadro2*.* name: ${{ matrix.config.artifact }} - name: Setup tmate session if: ${{ failure() }} uses: mxschmitt/action-tmate@v3 avogadrolibs-1.100.0/.github/workflows/build_m1.yml000066400000000000000000000173441474375334400221700ustar00rootroot00000000000000name: CMake Self-Hosted on: [push, pull_request, workflow_dispatch] env: # this is different from MACOSX_DEPLOYMENT_TARGET to prevent build problems # we set MACOSX_DEPLOYMENT_TARGET later MACOS_TARGET: 10.12 FEATURES: -DUSE_VTK=ON -DBUILD_GPL_PLUGINS=ON -DBUILD_MOLEQUEUE=OFF -DWITH_COORDGEN=OFF -DUSE_3DCONNEXION=ON concurrency: group: ${{ github.workflow }}-${{ github.ref }} cancel-in-progress: true jobs: build: name: ${{ matrix.config.name }} runs-on: ${{ matrix.config.os }} strategy: fail-fast: false matrix: config: - { name: "macOS ARM", artifact: "macOS-arm64.dmg", os: [self-hosted, macOS], cc: "clang", cxx: "clang++", build_type: "Release", cmake_flags: "-G Ninja -DCMAKE_PREFIX_PATH=/opt/homebrew/Cellar/qt@5/5.15.5_1/lib/cmake/Qt5", cpack_flags: "-G DragNDrop", } steps: - name: Install Dependencies (macOS) if: runner.os == 'macOS' run: | if uname -p | grep -q "arm" ; then export PATH=/opt/homebrew/bin:$PATH else # not self-hosted runner brew install ninja eigen glew fi - name: Checkout openchemistry uses: actions/checkout@v4 with: repository: openchemistry/openchemistry submodules: recursive - name: Checkout avogadroapp uses: actions/checkout@v4 with: repository: openchemistry/avogadroapp path: avogadroapp - name: Checkout molecules uses: actions/checkout@v4 with: repository: openchemistry/molecules path: molecules - name: Checkout fragments uses: actions/checkout@v4 with: repository: openchemistry/fragments path: fragments - name: Checkout crystals uses: actions/checkout@v4 with: repository: openchemistry/crystals path: crystals - name: Checkout avogadrolibs uses: actions/checkout@v4 with: path: avogadrolibs - name: Checkout i18n uses: actions/checkout@v4 with: repository: openchemistry/avogadro-i18n path: avogadro-i18n - name: Configure run: | if [ ! -d "${{ runner.workspace }}/build" ]; then mkdir "${{ runner.workspace }}/build"; fi cd "${{ runner.workspace }}/build" echo "MACOSX_DEPLOYMENT_TARGET=${{ env.MACOS_TARGET }}" >> $GITHUB_ENV CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake $GITHUB_WORKSPACE ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}} shell: bash - name: Build run: | CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake --build . --config ${{matrix.config.build_type}} ${{matrix.config.build_flags}} shell: bash working-directory: ${{ runner.workspace }}/build - name: Fix Mac plugins if: runner.os == 'macOS' working-directory: ${{ runner.workspace }}/build/prefix/lib/openbabel run: | for plugin in *.so; do for libpath in `otool -L ${plugin} | grep '/Users/runner' | awk '{print $1}'`; do export lib=`echo $libpath | cut -d '/' -f 10`; echo "Fixing $plugin $lib $libpath" install_name_tool -change $libpath @executable_path/../Frameworks/$lib $plugin done done cd .. # build/prefix/lib for plugin in libinchi.?.?.?.dylib; do for libpath in `otool -L ${plugin} | grep '/Users/runner' | awk '{print $1}'`; do export lib=`echo $libpath | cut -d '/' -f 10`; echo "Fixing $plugin $lib $libpath" install_name_tool -change $libpath @executable_path/../Frameworks/$lib $plugin done done otool -L libinchi.?.?.?.dylib cp -p libinchi* ../Avogadro2.app/Contents/Frameworks/ # finally, fixup the binaries #cd ../bin #for exe in obabel obmm eht_bind genXrdPattern; do # for libpath in `otool -L ${exe} | grep '/Users/runner' | awk '{print $1}'`; do # export lib=`echo $libpath | cut -d '/' -f 10`; # echo "Fixing $exe $lib $libpath" # install_name_tool -change $libpath @executable_path/../Frameworks/$lib $exe # done #done - name: Install the Apple certificate # From GitHub docs: https://docs.github.com/en/actions/guides/installing-an-apple-certificate-on-macos-runners-for-xcode-development if: runner.os == 'macOS' working-directory: ${{ runner.workspace }}/build env: BUILD_CERTIFICATE_BASE64: ${{ secrets.BUILD_CERTIFICATE_BASE64 }} P12_PASSWORD: ${{ secrets.P12_PASSWORD }} KEYCHAIN_PASSWORD: ${{ secrets.KEYCHAIN_PASSWORD }} NOTARIZE_USERNAME: ${{ secrets.AC_USERNAME }} NOTARIZE_PASSWORD: ${{ secrets.AC_PASSWORD }} CODESIGN_IDENTITY: ${{ secrets.CODESIGN_ID }} PRODUCT_BUNDLE_IDENTIFIER: cc.avogadro run: | # create variables if [ -n "${P12_PASSWORD}" ]; then CERTIFICATE_PATH=$RUNNER_TEMP/build_certificate.p12 KEYCHAIN_PATH=$RUNNER_TEMP/app-signing.keychain-db # import certificate and provisioning profile from secrets echo -n "$BUILD_CERTIFICATE_BASE64" | base64 --decode -o $CERTIFICATE_PATH # create temporary keychain if the cert is non-zero if [ -s $CERTIFICATE_PATH ]; then security create-keychain -p "$KEYCHAIN_PASSWORD" $KEYCHAIN_PATH security set-keychain-settings -lut 21600 $KEYCHAIN_PATH security unlock-keychain -p "$KEYCHAIN_PASSWORD" $KEYCHAIN_PATH # import certificate to keychain security import $CERTIFICATE_PATH -P "$P12_PASSWORD" -A -t cert -f pkcs12 -k $KEYCHAIN_PATH security list-keychain -d user -s $KEYCHAIN_PATH # signing occurs via avogadroapp cpack instructions fi # certificate exists fi # password exists # remove any previous DMG in case they're still around rm -f avogadroapp/*.dmg - name: Create Mac and Windows Packages shell: bash run: | if [ -z "${P12_PASSWORD}" ]; then unset CODESIGN_IDENTITY # to prevent cpack failing when trying to sign fi [[ ! "${GITHUB_REF}" =~ "tags" ]] && export SNAPSHOT_DATE=`date -j "+%d-%m-%y"` cpack ${{ matrix.config.cpack_flags }} working-directory: ${{ runner.workspace }}/build/avogadroapp env: P12_PASSWORD: ${{ secrets.P12_PASSWORD }} CODESIGN_IDENTITY: ${{ secrets.CODESIGN_ID }} - name: Notarize Mac DMG if: runner.os == 'macOS' run: | # check if we have the password and the username if [ -n "${NOTARIZE_PASSWORD}" ] && [ -n "${NOTARIZE_USERNAME}" ]; then codesign -s "$CODESIGN_IDENTITY" --timestamp Avogadro2*.dmg xcrun notarytool submit Avogadro2*.dmg --apple-id "$NOTARIZE_USERNAME" --team-id "$NOTARIZE_TEAM" --password "$NOTARIZE_PASSWORD" --verbose --wait xcrun stapler staple -v Avogadro2*.dmg fi working-directory: ${{ runner.workspace }}/build/avogadroapp env: NOTARIZE_TEAM: ${{ secrets.AC_TEAM }} NOTARIZE_USERNAME: ${{ secrets.AC_USERNAME }} NOTARIZE_PASSWORD: ${{ secrets.AC_PASSWORD }} CODESIGN_IDENTITY: ${{ secrets.CODESIGN_ID }} continue-on-error: true - name: Upload if: matrix.config.artifact != 0 uses: actions/upload-artifact@v4 with: path: ${{ runner.workspace }}/build/avogadroapp/Avogadro2*.* name: ${{ matrix.config.artifact }} - name: Cleanup if: ${{ always() }} # To ensure this step runs even when earlier steps fail shell: bash run: | ls -la ./ rm -rf ./* || true rm -rf ./.??* || true ls -la ./ avogadrolibs-1.100.0/.github/workflows/build_qt6.yml000066400000000000000000000063071474375334400223620ustar00rootroot00000000000000name: Qt6 Build Matrix # Many thanks to Cristian Adam for examples # e.g. https://github.com/cristianadam/HelloWorld/blob/master/.github/workflows/build_cmake.yml # https://cristianadam.eu/20191222/using-github-actions-with-c-plus-plus-and-cmake/ on: [push, pull_request, workflow_dispatch] env: QT_VERSION: 6.8.1 # this is different from MACOSX_DEPLOYMENT_TARGET to prevent build problems # we set MACOSX_DEPLOYMENT_TARGET later MACOS_TARGET: 12 FEATURES: -DBUILD_GPL_PLUGINS=ON -DBUILD_MOLEQUEUE=OFF -DWITH_COORDGEN=OFF -DUSE_VTK=ON -DQT_VERSION=6 jobs: build: name: ${{ matrix.config.name }} runs-on: ${{ matrix.config.os }} strategy: fail-fast: false matrix: config: - { name: "macOS Qt6", artifact: "", os: macos-latest, cc: "clang", cxx: "clang++", build_type: "Release", cmake_flags: "-G Ninja -DCMAKE_OSX_ARCHITECTURES='arm64;x86_64'", cpack_flags: "-G DragNDrop", } - { name: "Windows Qt6", artifact: "", os: windows-latest, cc: "cl", cxx: "cl", build_type: "Release", cmake_flags: "", build_flags: "-j 2", cpack_flags: "-G NSIS", } steps: - name: Install Dependencies (macOS) if: runner.os == 'macOS' run: | brew install ninja eigen glew - name: Install Dependencies (Windows) if: runner.os == 'Windows' run: choco install ninja - name: Checkout openchemistry uses: actions/checkout@v4 with: repository: openchemistry/openchemistry submodules: recursive - name: Checkout avogadroapp uses: actions/checkout@v4 with: repository: openchemistry/avogadroapp path: avogadroapp - name: Checkout avogadrolibs uses: actions/checkout@v4 with: path: avogadrolibs - name: Install Qt uses: jurplel/install-qt-action@v4 with: version: ${{ env.QT_VERSION }} - name: Configure MSVC Command Prompt if: runner.os == 'Windows' uses: ilammy/msvc-dev-cmd@v1 with: arch: x64 - name: Configure run: | if [ ! -d "${{ runner.workspace }}/build" ]; then mkdir "${{ runner.workspace }}/build"; fi cd "${{ runner.workspace }}/build" # won't have any effect except on Mac echo "MACOSX_DEPLOYMENT_TARGET=${{ env.MACOS_TARGET }}" >> $GITHUB_ENV CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake $GITHUB_WORKSPACE ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}} shell: bash - name: Build run: | CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake --build . --config ${{matrix.config.build_type}} ${{matrix.config.build_flags}} shell: bash working-directory: ${{ runner.workspace }}/build - name: Upload if: matrix.config.artifact != 0 uses: actions/upload-artifact@v4 with: path: ${{ runner.workspace }}/build/avogadroapp/Avogadro2*.* name: ${{ matrix.config.artifact }} - name: Setup tmate session if: ${{ failure() }} uses: mxschmitt/action-tmate@v3 avogadrolibs-1.100.0/.github/workflows/build_wheels.yml000066400000000000000000000051441474375334400231350ustar00rootroot00000000000000name: Build Wheels on: [push, pull_request] concurrency: group: ${{ github.workflow }}-${{ github.ref }} cancel-in-progress: true env: # Don't build python 2.7, pypy, or 32-bit wheels or Mac arm64 on Py3.8 CIBW_SKIP: "cp36-* cp37-* cp311-manylinux* cp312-manylinux* cp38-macosx_arm64 pp* *-musllinux_* *-manylinux_i686 *-win32" # Need to do some setup before repairing the wheel on linux... CIBW_REPAIR_WHEEL_COMMAND_LINUX: bash scripts/github-actions/repair_command_linux.sh CIBW_BEFORE_ALL_LINUX: bash scripts/github-actions/repair-linux.sh # Specify eigen location for windows CIBW_ENVIRONMENT_WINDOWS: "EXTRA_CMAKE_ARGS=-DEIGEN3_INCLUDE_DIR:PATH=/c/eigen" # On Mac build both x64 and arm64 CIBW_ARCHS_MACOS: "x86_64 arm64" CIBW_TEST_REQUIRES: pytest # Run a very simple test to make sure the wheels are working CIBW_TEST_COMMAND: pytest {project}/scripts/github-actions/simple_test.py # We can't currently test Mac arm64 builds on x64 CIBW_TEST_SKIP: "*_arm64 *_universal2:arm64" # Use bash by default for the run command defaults: run: shell: bash jobs: build_wheels: name: Build wheels on ${{ matrix.os }} runs-on: ${{ matrix.os }} strategy: fail-fast: false matrix: # For Windows, we have to use visual studio 2017, which is on windows-2016 os: [ubuntu-20.04, macos-latest, windows-2019] steps: - uses: actions/checkout@v4 with: # Grab the whole history so that setuptools-scm can see the tags and # give it a correct version even on non-tag push. fetch-depth: 0 - uses: actions/setup-python@v5 name: Install Python with: python-version: '3.8' cache: 'pip' # caching pip dependencies - name: Install cibuildwheel run: pip install cibuildwheel==2.16.2 - name: Install dependencies run: . ./scripts/github-actions/install.sh - name: Build wheels run: cibuildwheel --output-dir wheelhouse - uses: actions/upload-artifact@v4 with: name: cibw-wheels-${{ matrix.os }}-${{ strategy.job-index }} path: ./wheelhouse/*.whl upload_pypi: needs: build_wheels name: Upload wheels to PyPI runs-on: ubuntu-latest # upload to PyPI on every tag push if: github.event_name == 'push' && startsWith(github.event.ref, 'refs/tags/') steps: - uses: actions/download-artifact@v4 with: name: artifact path: dist - uses: pypa/gh-action-pypi-publish@master with: user: __token__ password: ${{ secrets.pypi_api_token }} avogadrolibs-1.100.0/.github/workflows/build_windows.yml000066400000000000000000000117641474375334400233450ustar00rootroot00000000000000name: CMake Windows Build # Many thanks to Cristian Adam for examples # e.g. https://github.com/cristianadam/HelloWorld/blob/master/.github/workflows/build_cmake.yml # https://cristianadam.eu/20191222/using-github-actions-with-c-plus-plus-and-cmake/ # This workflow will build and sign on Windows # .. since SignPath requires only a Windows build in the action # .. to successfully sign on: [push, workflow_dispatch] env: QT_VERSION: 5.15.2 FEATURES: -DBUILD_GPL_PLUGINS=ON -DWITH_COORDGEN=OFF -DUSE_VTK=ON -DUSE_3DCONNEXION=ON concurrency: group: ${{ github.workflow }}-${{ github.ref }} cancel-in-progress: true jobs: build: name: ${{ matrix.config.name }} runs-on: ${{ matrix.config.os }} strategy: fail-fast: false matrix: config: - { name: "Windows Latest MSVC", artifact: "Win64.exe", os: windows-latest, cc: "cl", cxx: "cl", build_type: "Release", cmake_flags: "-DBUILD_MOLEQUEUE=OFF", build_flags: "", cpack_flags: "-G NSIS", } steps: - name: Install Dependencies (Windows) if: runner.os == 'Windows' run: choco install ninja - name: Checkout openchemistry uses: actions/checkout@v4 with: repository: openchemistry/openchemistry submodules: recursive - name: Checkout avogadroapp uses: actions/checkout@v4 with: repository: openchemistry/avogadroapp path: avogadroapp - name: Checkout molecules uses: actions/checkout@v4 with: repository: openchemistry/molecules path: molecules - name: Checkout fragments uses: actions/checkout@v4 with: repository: openchemistry/fragments path: fragments - name: Checkout crystals uses: actions/checkout@v4 with: repository: openchemistry/crystals path: crystals - name: Checkout i18n uses: actions/checkout@v4 with: repository: openchemistry/avogadro-i18n path: avogadro-i18n - name: Checkout avogadrolibs uses: actions/checkout@v4 with: path: avogadrolibs - name: Install Qt uses: jurplel/install-qt-action@v3 with: aqtversion: '==3.1.*' cache: true version: ${{ env.QT_VERSION }} - name: Configure MSVC Command Prompt if: runner.os == 'Windows' uses: ilammy/msvc-dev-cmd@v1 with: arch: x64 - name: Grab cache files uses: actions/cache@v4 if: runner.os != 'Windows' with: path: | ${{ runner.workspace }}/build/Downloads key: ${{ matrix.config.name }}-downloads - name: Configure run: | if [ ! -d "${{ runner.workspace }}/build" ]; then mkdir "${{ runner.workspace }}/build"; fi cd "${{ runner.workspace }}/build" CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake $GITHUB_WORKSPACE ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}} shell: bash - name: Build run: | CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake --build . --config ${{matrix.config.build_type}} ${{matrix.config.build_flags}} shell: bash working-directory: ${{ runner.workspace }}/build - name: Create Windows Package if: matrix.config.os == 'windows-latest' shell: bash run: | [[ ! "${GITHUB_REF}" =~ "tags" ]] && export SNAPSHOT_DATE=`date -j "+%d-%m-%y"` cpack ${{ matrix.config.cpack_flags }} working-directory: ${{ runner.workspace }}/build/avogadroapp continue-on-error: true env: OPENSSL_ROOT_DIR: ${{ matrix.config.ssl_env }} - name: Upload if: matrix.config.artifact != 0 id: upload-artifact uses: actions/upload-artifact@v4 with: path: ${{ runner.workspace }}/build/avogadroapp/Avogadro*.* name: ${{ matrix.config.artifact }} - name: Sign Windows release if: github.event_name == 'push' && startsWith(github.event.ref, 'refs/tags/') uses: signpath/github-action-submit-signing-request@v1 with: api-token: '${{ secrets.SIGNPATH_API_TOKEN }}' organization-id: '${{ secrets.SIGNPATH_ORG_ID }}' project-slug: 'avogadrolibs' signing-policy-slug: 'release-signing' github-artifact-id: '${{ steps.upload-artifact.outputs.artifact-id }}' wait-for-completion: true output-artifact-directory: '../build/' - name: Upload if: matrix.config.artifact != 0 id: upload-signed-artifact uses: actions/upload-artifact@v4 with: path: ${{ runner.workspace }}/build/Avogadro2*.* name: 'Win64-signed.exe' - name: Setup tmate session if: failure() uses: mxschmitt/action-tmate@v3 - name: Cleanup if: ${{ always() }} # To ensure this step runs even when earlier steps fail shell: bash run: | ls -la ./ rm -rf ./* || true rm -rf ./.??* || true ls -la ./ avogadrolibs-1.100.0/.github/workflows/clang-format-check.yml000066400000000000000000000044071474375334400241150ustar00rootroot00000000000000name: clang-format Check on: [push, pull_request] jobs: formatting-check: name: Formatting Check runs-on: ubuntu-latest if: ${{ github.ref != 'refs/heads/master' }} steps: - name: 'Install clang-format' run: sudo apt-get -qq install clang-format-16 - uses: actions/checkout@v4 - name: 'Run clang-format-diff' run: | git remote set-url origin https://x-access-token:${{ secrets.GITHUB_TOKEN }}@github.com/openchemistry/avogadrolibs git fetch origin master:master export MASTER_SHA=`cat .git/refs/heads/master` echo MASTER_SHA=${MASTER_SHA} git diff `cat .git/refs/heads/master` --name-only DIFF=`git diff -U0 ${MASTER_SHA} -- '*.h' '*.cpp' | clang-format-diff-16 -p1` if [ -z "$DIFF" ]; then printf "clang-format-diff reports no problems" exit 0 else git diff -U0 ${MASTER_SHA} -- '*.h' '*.cpp' | clang-format-diff-16 -p1 >${{ runner.workspace }}/clang-format.diff exit 1 fi - name: Upload patch if: failure() uses: actions/upload-artifact@v4 with: path: ${{ runner.workspace }}/clang-format.diff name: clang-format.diff - name: Comment on diff if: failure() run: | export NAME=`curl "https://api.github.com/repos/${{ github.repository }}/actions/runs/${{ github.run_id }}/artifacts" | jq '.artifacts[].name'` export DL=`curl "https://api.github.com/repos/${{ github.repository }}/actions/runs/${{ github.run_id }}/artifacts" | jq '.artifacts[].archive_download_url'` export URL="https://api.github.com/repos/${{ github.repository }}/actions/runs/${{ github.run_id }}/artifacts" echo URL=${URL} echo NAME=${NAME} echo DL=${DL} curl "https://api.github.com/repos/${{ github.repository }}/actions/runs/${{ github.run_id }}/artifacts" jq -nc "{\"body\": \"ERROR: clang-format-diff detected formatting issues. See the artifact for a patch or run clang-format on your branch.\"}" | \ curl -sL -X POST -d @- \ -H "Content-Type: application/json" \ -H "Authorization: token ${{ secrets.GITHUB_TOKEN }}" \ "https://api.github.com/repos/$GITHUB_REPOSITORY/commits/$GITHUB_SHA/comments" avogadrolibs-1.100.0/.github/workflows/clang-tidy.yml000066400000000000000000000070011474375334400225140ustar00rootroot00000000000000name: Clang-Tidy Static Analysis on: workflow_dispatch: env: FEATURES: -DUSE_VTK=ON -DBUILD_GPL_PLUGINS=ON -DWITH_COORDGEN=OFF -DUSE_YAEHMOP=ON BUILD_TYPE: RelWithDebInfo QT_VERSION: 5.15.2 jobs: build: name: ${{ matrix.config.name }} runs-on: ${{ matrix.config.os }} strategy: fail-fast: false matrix: config: - { name: "Ubuntu Analysis", os: ubuntu-latest, cc: "clang", cxx: "clang++", cmake_flags: "-G Ninja -DCMAKE_EXPORT_COMPILE_COMMANDS=1 -DUSE_SYSTEM_LIBXML2=ON -USE_SYSTEM_ZLIB=ON", cpack: "", } steps: - name: Install Dependencies (Linux) if: runner.os == 'Linux' run: | sudo apt-get -qq update sudo apt-get -qq install ninja-build bear libeigen3-dev libboost-all-dev libglew-dev libxml2-dev sudo apt-get -qq install qtbase5-dev qtchooser qt5-qmake qtbase5-dev-tools libqt5x11extras5-dev libqt5svg5-dev sudo apt-get -qq install clang-tidy - name: Install Qt uses: jurplel/install-qt-action@v3 with: cache: true version: ${{ env.QT_VERSION }} - name: Checkout openchemistry uses: actions/checkout@v4 with: repository: openchemistry/openchemistry submodules: recursive - name: Checkout avogadroapp uses: actions/checkout@v4 with: repository: openchemistry/avogadroapp path: avogadroapp - name: Checkout avogadrolibs uses: actions/checkout@v4 with: path: avogadrolibs fetch-depth: 2 - name: Grab cache files uses: actions/cache@v4 if: runner.os != 'Windows' with: path: | ${{ runner.workspace }}/build/thirdparty ${{ runner.workspace }}/build/Downloads key: ${{ matrix.config.name }}-thirdparty - name: Configure run: | if [ ! -d "${{ runner.workspace }}/build" ]; then mkdir "${{ runner.workspace }}/build"; fi cd "${{ runner.workspace }}/build" CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake $GITHUB_WORKSPACE ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{env.BUILD_TYPE}} ${{matrix.config.cmake_flags}} shell: bash - name: Build run: | CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} ninja # only re-compile avogadrolibs (cd avogadrolibs; ninja clean) bear -- ninja shell: bash working-directory: ${{ runner.workspace }}/build - name: Create results directory run: | mkdir ${{ runner.workspace }}/clang-tidy-result - name: Analyze run: | # generate the fixes and we'll make a diff run-clang-tidy -p ../build -fix cd avogadrolibs pwd echo "Generating diff" git diff >${{ runner.workspace }}/clang-tidy-result/tidy.patch working-directory: ${{ runner.workspace }}/avogadrolibs - name: Save PR metadata run: | echo ${{ github.event.number }} > ${{ runner.workspace }}/clang-tidy-result/pr-id.txt echo ${{ github.event.pull_request.head.repo.full_name }} > ${{ runner.workspace }}/clang-tidy-result/pr-head-repo.txt echo ${{ github.event.pull_request.head.ref }} > ${{ runner.workspace }}/clang-tidy-result/pr-head-ref.txt - uses: actions/upload-artifact@v4 with: name: clang-tidy-result path: ${{ runner.workspace }}/clang-tidy-result/ - name: Setup tmate session if: ${{ failure() }} uses: mxschmitt/action-tmate@v3 avogadrolibs-1.100.0/.github/workflows/codacy.yml000066400000000000000000000051351474375334400217310ustar00rootroot00000000000000# This workflow uses actions that are not certified by GitHub. # They are provided by a third-party and are governed by # separate terms of service, privacy policy, and support # documentation. # This workflow checks out code, performs a Codacy security scan # and integrates the results with the # GitHub Advanced Security code scanning feature. For more information on # the Codacy security scan action usage and parameters, see # https://github.com/codacy/codacy-analysis-cli-action. # For more information on Codacy Analysis CLI in general, see # https://github.com/codacy/codacy-analysis-cli. name: Codacy Security Scan on: workflow_dispatch: # push: # branches: [ master ] # pull_request: # # The branches below must be a subset of the branches above # branches: [ master ] # schedule: # - cron: '28 10 * * 6' permissions: contents: read jobs: codacy-security-scan: name: Codacy Security Scan permissions: contents: read # for actions/checkout to fetch code security-events: write # for github/codeql-action/upload-sarif to upload SARIF results runs-on: ubuntu-latest concurrency: group: ${{ github.workflow }}-${{ github.ref }} cancel-in-progress: true steps: # Checkout the repository to the GitHub Actions runner - name: Checkout code uses: actions/checkout@v4 # Execute Codacy Analysis CLI and generate a SARIF output with the security issues identified during the analysis - name: Run Codacy Analysis CLI uses: codacy/codacy-analysis-cli-action@master with: # Check https://github.com/codacy/codacy-analysis-cli#project-token to get your project token from your Codacy repository # You can also omit the token and run the tools that support default configurations project-token: ${{ secrets.CODACY_PROJECT_TOKEN }} verbose: true output: results.sarif format: sarif # Adjust severity of non-security issues gh-code-scanning-compat: true # Force 0 exit code to allow SARIF file generation # This will handover control about PR rejection to the GitHub side max-allowed-issues: 2147483647 - name: Filter out MISRA run: | pip install globber python3 scripts/github-actions/filter_sarif.py --input results.sarif --output filtered.sarif --split-lines -- "-**/*.*:cppcheck_misra*" # Upload the SARIF file generated in the previous step - name: Upload SARIF results file uses: github/codeql-action/upload-sarif@v3 with: sarif_file: filtered.sarif avogadrolibs-1.100.0/.github/workflows/codeql.yml000066400000000000000000000065041474375334400217370ustar00rootroot00000000000000# For most projects, this workflow file will not need changing; you simply need # to commit it to your repository. # # You may wish to alter this file to override the set of languages analyzed, # or to provide custom queries or build logic. # # ******** NOTE ******** # We have attempted to detect the languages in your repository. Please check # the `language` matrix defined below to confirm you have the correct set of # supported CodeQL languages. # name: "CodeQL" on: push: branches: [ "master" ] pull_request: # The branches below must be a subset of the branches above branches: [ "master" ] schedule: - cron: '42 6 * * 6' concurrency: group: ${{ github.workflow }}-${{ github.ref }} cancel-in-progress: true env: QT_VERSION: 5.15.2 FEATURES: -DBUILD_GPL_PLUGINS=ON -DWITH_COORDGEN=OFF jobs: analyze: name: Analyze runs-on: ubuntu-latest permissions: actions: read contents: read security-events: write strategy: fail-fast: false matrix: language: [ 'cpp' ] # CodeQL supports [ 'cpp', 'csharp', 'go', 'java', 'javascript', 'python', 'ruby' ] # Use only 'java' to analyze code written in Java, Kotlin or both # Use only 'javascript' to analyze code written in JavaScript, TypeScript or both # Learn more about CodeQL language support at https://aka.ms/codeql-docs/language-support steps: - name: Checkout openchemistry uses: actions/checkout@v4 with: repository: openchemistry/openchemistry submodules: recursive - name: Checkout avogadroapp uses: actions/checkout@v4 with: repository: openchemistry/avogadroapp path: avogadroapp - name: Checkout avogadrolibs uses: actions/checkout@v4 with: path: avogadrolibs - name: Install Dependencies (Linux) if: runner.os == 'Linux' run: | sudo apt-get -qq update sudo apt-get -qq install ninja-build libeigen3-dev libboost-all-dev libglew-dev libxml2-dev sudo apt-get -qq install qtbase5-dev qtchooser qt5-qmake qtbase5-dev-tools libqt5x11extras5-dev libqt5svg5-dev - name: Install Qt uses: jurplel/install-qt-action@v3 with: cache: True version: ${{ env.QT_VERSION }} - name: Grab cache files uses: actions/cache@v4 with: path: | ${{ runner.workspace }}/build/thirdparty ${{ runner.workspace }}/build/Downloads key: ${{ matrix.config.name }}-thirdparty - name: Configure run: | cmake $GITHUB_WORKSPACE ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=RelWithDebInfo ${{matrix.config.cmake_flags}} shell: bash # Initializes the CodeQL tools for scanning. - name: Initialize CodeQL uses: github/codeql-action/init@v3 with: languages: ${{ matrix.language }} source-root: ${{ github.workspace }}/avogadrolibs queries: security-extended,security-and-quality config-file: ${{ github.workspace }}/avogadrolibs/.github/codeql-config.yml - name: Build run: | cmake --build . -j 4 --config RelWithDebInfo shell: bash - name: Perform CodeQL Analysis uses: github/codeql-action/analyze@v3 with: category: "/language:${{matrix.language}}" checkout_path: ${{ github.workspace }}/avogadrolibs avogadrolibs-1.100.0/.github/workflows/flatpak.yml000066400000000000000000000060411474375334400221060ustar00rootroot00000000000000name: Build Flatpak on: [push, pull_request, workflow_dispatch] jobs: flatpak: name: "Flatpak" runs-on: ubuntu-latest steps: - name: Install dependencies run: sudo apt update -qq && sudo apt install -y -qq flatpak - name: Configure flatpak run: flatpak remote-add --if-not-exists --user flathub https://dl.flathub.org/repo/flathub.flatpakrepo - name: Install flatpak-builder run: flatpak --user install --or-update --noninteractive flathub org.flatpak.Builder - name: Configure git run: git config --global protocol.file.allow always # Have to do this because for a while git's handling of submodules was broken # See https://github.com/flatpak/flatpak-builder/issues/495 - name: Checkout openchemistry uses: actions/checkout@v4 with: repository: openchemistry/openchemistry submodules: false path: openchemistry - name: Checkout avogadroapp uses: actions/checkout@v4 with: repository: openchemistry/avogadroapp path: openchemistry/avogadroapp - name: Checkout avogadrolibs uses: actions/checkout@v4 with: path: openchemistry/avogadrolibs - name: Checkout i18n uses: actions/checkout@v4 with: repository: openchemistry/avogadro-i18n path: openchemistry/avogadro-i18n - name: Checkout avogadrogenerators uses: actions/checkout@v4 with: repository: openchemistry/avogenerators path: openchemistry/avogadrogenerators - name: Checkout crystals uses: actions/checkout@v4 with: repository: openchemistry/crystals path: openchemistry/crystals - name: Checkout fragments uses: actions/checkout@v4 with: repository: openchemistry/fragments path: openchemistry/fragments - name: Checkout molecules uses: actions/checkout@v4 with: repository: openchemistry/molecules path: openchemistry/molecules - name: Checkout Flathub shared-modules uses: actions/checkout@v4 with: repository: flathub/shared-modules path: shared-modules - name: Set up tmate session if: failure() uses: mxschmitt/action-tmate@v3 - name: Move manifest run: mv openchemistry/avogadroapp/flatpak/org.openchemistry.Avogadro2.yaml ./ - name: Build with flatpak-builder run: dbus-run-session flatpak run org.flatpak.Builder --force-clean --user --install-deps-from=flathub --arch=x86_64 --default-branch=test --repo=repo builddir org.openchemistry.Avogadro2.yaml - name: Create bundle run: flatpak build-bundle repo Avogadro2.flatpak org.openchemistry.Avogadro2 test - name: Upload bundle uses: actions/upload-artifact@v4 with: path: Avogadro2.flatpak - name: Cleanup if: ${{ always() }} # To ensure this step runs even when earlier steps fail shell: bash run: | ls -la ./ rm -rf ./* || true rm -rf ./.??* || true ls -la ./ avogadrolibs-1.100.0/.github/workflows/misspell-fixer.yml000066400000000000000000000005001474375334400234210ustar00rootroot00000000000000name: misspell-fixer on: [workflow_dispatch] jobs: spelling-check: name: Spelling Check runs-on: ubuntu-latest steps: - uses: actions/checkout@v4 - name: misspell-fixer check for code and comments uses: sobolevn/misspell-fixer-action@master with: options: '-rsnuRVd avogadro/' avogadrolibs-1.100.0/.github/workflows/release-drafter.yml000066400000000000000000000015151474375334400235320ustar00rootroot00000000000000name: Release Drafter # https://github.com/release-drafter/release-drafter on: push: # branches to consider in the event; optional, defaults to all branches: - master # pull_request event is required only for autolabeler pull_request: # Only following types are handled by the action, but one can default to all as well types: [opened, reopened, synchronize] jobs: update_release_draft: runs-on: ubuntu-latest steps: # Drafts your next Release notes as Pull Requests are merged into "master" - uses: release-drafter/release-drafter@v6 # (Optional) specify config name to use, relative to .github/. Default: release-drafter.yml # with: # config-name: my-config.yml # disable-autolabeler: true env: GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} avogadrolibs-1.100.0/.github/workflows/update-i18n-templates.yml000066400000000000000000000015161474375334400245210ustar00rootroot00000000000000name: update-i18n-templates on: workflow_dispatch: schedule: # * is a special character in YAML so you have to quote this string # run weekly, every Sunday at 01:23 - cron: '23 1 * * 0' jobs: update-i18n: name: Update translation templates runs-on: ubuntu-latest steps: - uses: actions/checkout@v4 - name: Install packages run: | sudo apt-get -qq update sudo apt-get -qq install gettext - name: Run extract-messages run: | sh scripts/extract-messages.sh - name: Create pull request uses: peter-evans/create-pull-request@v7 with: commit-message: "Automated translation updates" signoff: true title: "Automated translation updates" branch: update-i18n-templates delete-branch: true labels: i18n avogadrolibs-1.100.0/.gitignore000066400000000000000000000052501474375334400163350ustar00rootroot00000000000000docs/build .DS_Store .vscode # Byte-compiled / optimized / DLL files __pycache__/ *.py[cod] *$py.class # C extensions *.so # Distribution / packaging .Python build/ develop-eggs/ dist/ downloads/ eggs/ .eggs/ lib/ lib64/ parts/ sdist/ var/ wheels/ share/python-wheels/ *.egg-info/ .installed.cfg *.egg MANIFEST # PyInstaller # Usually these files are written by a python script from a template # before PyInstaller builds the exe, so as to inject date/other infos into it. *.manifest *.spec # Installer logs pip-log.txt pip-delete-this-directory.txt # Unit test / coverage reports htmlcov/ .tox/ .nox/ .coverage .coverage.* .cache nosetests.xml coverage.xml *.cover *.py,cover .hypothesis/ .pytest_cache/ cover/ # Translations *.mo *.pot # Django stuff: *.log local_settings.py db.sqlite3 db.sqlite3-journal # Flask stuff: instance/ .webassets-cache # Scrapy stuff: .scrapy # Sphinx documentation docs/_build/ # PyBuilder .pybuilder/ target/ # Jupyter Notebook .ipynb_checkpoints # IPython profile_default/ ipython_config.py # pyenv # For a library or package, you might want to ignore these files since the code is # intended to run in multiple environments; otherwise, check them in: # .python-version # pipenv # According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control. # However, in case of collaboration, if having platform-specific dependencies or dependencies # having no cross-platform support, pipenv may install dependencies that don't work, or not # install all needed dependencies. #Pipfile.lock # poetry # Similar to Pipfile.lock, it is generally recommended to include poetry.lock in version control. # This is especially recommended for binary packages to ensure reproducibility, and is more # commonly ignored for libraries. # https://python-poetry.org/docs/basic-usage/#commit-your-poetrylock-file-to-version-control #poetry.lock # pdm # Similar to Pipfile.lock, it is generally recommended to include pdm.lock in version control. #pdm.lock # pdm stores project-wide configurations in .pdm.toml, but it is recommended to not include it # in version control. # https://pdm.fming.dev/#use-with-ide .pdm.toml # PEP 582; used by e.g. github.com/David-OConnor/pyflow and github.com/pdm-project/pdm __pypackages__/ # Celery stuff celerybeat-schedule celerybeat.pid # SageMath parsed files *.sage.py # Environments .env .venv env/ venv/ ENV/ env.bak/ venv.bak/ # Spyder project settings .spyderproject .spyproject # Rope project settings .ropeproject # mkdocs documentation /site # mypy .mypy_cache/ .dmypy.json dmypy.json # Pyre type checker .pyre/ # pytype static type analyzer .pytype/ # Cython debug symbols cython_debug/ avogadrolibs-1.100.0/.misspell-fixer.ignore000066400000000000000000000000411474375334400205640ustar00rootroot00000000000000^avogadro/quantumio/gamessus.cpp avogadrolibs-1.100.0/.pre-commit-config.yaml000066400000000000000000000010511474375334400206210ustar00rootroot00000000000000# See https://pre-commit.com for more information # See https://pre-commit.com/hooks.html for more hooks repos: - repo: https://github.com/pre-commit/pre-commit-hooks rev: v4.5.0 hooks: - id: trailing-whitespace - id: end-of-file-fixer - id: check-yaml - id: check-added-large-files - id: check-json - id: check-case-conflict - id: check-toml - repo: https://github.com/pre-commit/mirrors-clang-format rev: 'v17.0.6' # Use the sha / tag you want to point at hooks: - id: clang-format avogadrolibs-1.100.0/CITATION.cff000066400000000000000000000023531474375334400162400ustar00rootroot00000000000000# This CITATION.cff file was generated with cffinit. # Visit https://bit.ly/cffinit to generate yours today! cff-version: 1.2.0 title: Avogadro message: >- Please cite this software using the metadata from 'preferred-citation'. type: software authors: - given-names: Marcus family-names: Hanwell orcid: 'https://orcid.org/0000-0002-5851-5272' - given-names: Geoffrey family-names: Hutchison affiliation: University of Pittsburgh orcid: 'https://orcid.org/0000-0002-1757-1980' identifiers: - type: doi value: 10.1186/1758-2946-4-17 description: Avogadro Paper - type: doi value: 10.1186/1758-2946-5-25 description: Avogadro2 Chemical Markup Language repository-code: 'https://github.com/openchemistry/avogadrolibs' url: 'https://two.avogadro.cc/' abstract: >- Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture. keywords: - open source - cheminformatics - computational chemistry - scientific visualization - open chemistry - open science - OpenGL license: BSD-3-Clause avogadrolibs-1.100.0/CMakeLists.txt000066400000000000000000000117151474375334400171100ustar00rootroot00000000000000cmake_minimum_required(VERSION 3.24 FATAL_ERROR) project(AvogadroLibs) set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/cmake) # Use C++17 when possible option(PYTHON_WHEEL_BUILD "Is this a Python wheel build?" OFF) mark_as_advanced(PYTHON_WHEEL_BUILD) set(CMAKE_CXX_STANDARD 17) set(CMAKE_CXX_STANDARD_REQUIRED True) set(CMAKE_CXX_EXTENSIONS False) # Set symbol visibility defaults for all targets. set(CMAKE_CXX_VISIBILITY_PRESET "hidden") set(CMAKE_VISIBILITY_INLINES_HIDDEN True) include(BuildType) include(BuildLocation) include(CompilerFlags) include(InstallLocation) include(DetermineVersion) # Set up our version. set(AvogadroLibs_VERSION_MAJOR "1") set(AvogadroLibs_VERSION_MINOR "100") set(AvogadroLibs_VERSION_PATCH "0") set(AvogadroLibs_VERSION "${AvogadroLibs_VERSION_MAJOR}.${AvogadroLibs_VERSION_MINOR}.${AvogadroLibs_VERSION_PATCH}") find_package(Git) determine_version(${AvogadroLibs_SOURCE_DIR} ${GIT_EXECUTABLE} "AvogadroLibs") # path for data / fragment files which could be overriden by package maintainers # by default we assume we're using the openchemistry superbuild layout # .. this is used by the fragment library, molecules, crystals, etc. set(AvogadroLibs_SOURCEDATA_DIR "${AvogadroLibs_SOURCE_DIR}/..") option(BUILD_SHARED_LIBS "Build with shared libraries" ON) # Before any plugins are defined, and before any add_subdirectory calls: set_property(GLOBAL PROPERTY AvogadroLibs_PLUGINS) set_property(GLOBAL PROPERTY AvogadroLibs_STATIC_PLUGINS) if(MSVC) add_definitions("-D_CRT_SECURE_NO_WARNINGS" "-DNOMINMAX -D_USE_MATH_DEFINES") # Ensure __cplusplus is correct, otherwise it defaults to 199711L which isn't true # https://docs.microsoft.com/en-us/cpp/build/reference/zc-cplusplus?view=msvc-160 set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} /Zc:__cplusplus") message(STATUS "Setting MSVC debug information format to 'Embedded'") set(CMAKE_MSVC_DEBUG_INFORMATION_FORMAT "$<$:Embedded>") set(CMAKE_VS_GLOBALS "UseMultiToolTask=true" "DebugInformationFormat=OldStyle" ) endif() option(ENABLE_TESTING "Enable testing and building the tests." OFF) option(TEST_QTGL "Build the Qt OpenGL test application" OFF) option(ENABLE_TRANSLATIONS "Enable building translations with Qt5 Linguist" OFF) option(USE_OPENGL "Enable libraries that use OpenGL" ON) option(USE_HDF5 "Enable optional HDF5 features" OFF) option(USE_QT "Enable libraries that use Qt 5 or 6" ON) option(USE_VTK "Enable libraries that use VTK" OFF) option(USE_LIBARCHIVE "Enable optional Libarchive features" ON) option(USE_LIBMSYM "Enable optional features using libmsym" ON) option(USE_SPGLIB "Enable optional features using spglib" ON) option(USE_MMTF "Enable optional features using mmtf" ON) option(USE_PYTHON "Use Python to wrap some of our API" OFF) option(USE_EXTERNAL_NLOHMANN "Use an externally-provided version of the nlohmann JSON library" OFF) option(USE_EXTERNAL_PUGIXML "Use an externally-provided version of pugixml" OFF) option(USE_EXTERNAL_STRUCT "Use an externally-provided version of the struct binary data formatting library" OFF) set(QT_VERSION "5" CACHE STRING "What major version of Qt") set(QT_VERSIONS_SUPPORTED 5 6) set_property(CACHE QT_VERSION PROPERTY STRINGS 5 6) if(NOT QT_VERSION IN_LIST QT_VERSIONS_SUPPORTED) message(FATAL_ERROR "Qt version must be one of ${QT_VERSIONS_SUPPORTED}") endif() add_subdirectory(thirdparty) add_subdirectory(utilities) add_subdirectory(avogadro) if(ENABLE_TESTING) include(CTest) enable_testing() add_subdirectory(tests) endif() option(BUILD_DOCUMENTATION "Build project documentation" OFF) if(BUILD_DOCUMENTATION) add_subdirectory(docs) endif() if(USE_PYTHON) add_subdirectory(python) endif() if(ENABLE_TRANSLATIONS) find_package(Qt5LinguistTools) endif() # SKBUILD is set for binary wheel if (NOT SKBUILD) install( FILES README.md CONTRIBUTING.md LICENSE DESTINATION "${INSTALL_DOC_DIR}/avogadrolibs") endif() # After all add_subdirectory calls, so the list of plugins is complete: get_property(AvogadroLibs_PLUGINS GLOBAL PROPERTY AvogadroLibs_PLUGINS) get_property(AvogadroLibs_STATIC_PLUGINS GLOBAL PROPERTY AvogadroLibs_STATIC_PLUGINS) configure_file(${AvogadroLibs_SOURCE_DIR}/cmake/CTestCustom.cmake.in ${AvogadroLibs_BINARY_DIR}/CTestCustom.cmake) configure_file("${AvogadroLibs_SOURCE_DIR}/cmake/AvogadroLibsConfig.cmake.in" "${AvogadroLibs_BINARY_DIR}/AvogadroLibsConfig.cmake" @ONLY) configure_file("${AvogadroLibs_SOURCE_DIR}/cmake/AvogadroLibsConfigVersion.cmake.in" "${AvogadroLibs_BINARY_DIR}/AvogadroLibsConfigVersion.cmake" @ONLY) # SKBUILD is set for binary wheel if (NOT SKBUILD) install(FILES "${AvogadroLibs_BINARY_DIR}/AvogadroLibsConfig.cmake" "${AvogadroLibs_BINARY_DIR}/AvogadroLibsConfigVersion.cmake" "${CMAKE_CURRENT_SOURCE_DIR}/cmake/Findlibmsym.cmake" DESTINATION "${INSTALL_LIBRARY_DIR}/cmake/avogadrolibs") install(EXPORT "AvogadroLibsTargets" NAMESPACE Avogadro:: DESTINATION "${INSTALL_LIBRARY_DIR}/cmake/avogadrolibs") endif() avogadrolibs-1.100.0/CODE_OF_CONDUCT.md000066400000000000000000000062411474375334400171450ustar00rootroot00000000000000# Contributor Covenant Code of Conduct ## Our Pledge In the interest of fostering an open and welcoming environment, we as contributors and maintainers pledge to making participation in our project and our community a harassment-free experience for everyone, regardless of age, body size, disability, ethnicity, gender identity and expression, level of experience, nationality, personal appearance, race, religion, or sexual identity and orientation. ## Our Standards Examples of behavior that contributes to creating a positive environment include: * Using welcoming and inclusive language * Being respectful of differing viewpoints and experiences * Gracefully accepting constructive criticism * Focusing on what is best for the community * Showing empathy towards other community members Examples of unacceptable behavior by participants include: * The use of sexualized language or imagery and unwelcome sexual attention or advances * Trolling, insulting/derogatory comments, and personal or political attacks * Public or private harassment * Publishing others' private information, such as a physical or electronic address, without explicit permission * Other conduct which could reasonably be considered inappropriate in a professional setting ## Our Responsibilities Project maintainers are responsible for clarifying the standards of acceptable behavior and are expected to take appropriate and fair corrective action in response to any instances of unacceptable behavior. Project maintainers have the right and responsibility to remove, edit, or reject comments, commits, code, wiki edits, issues, and other contributions that are not aligned to this Code of Conduct, or to ban temporarily or permanently any contributor for other behaviors that they deem inappropriate, threatening, offensive, or harmful. ## Scope This Code of Conduct applies both within project spaces and in public spaces when an individual is representing the project or its community. Examples of representing a project or community include using an official project e-mail address, posting via an official social media account, or acting as an appointed representative at an online or offline event. Representation of a project may be further defined and clarified by project maintainers. ## Enforcement Instances of abusive, harassing, or otherwise unacceptable behavior may be reported by contacting the project team at avogadro-devel@lists.sourceforge.net. The project team will review and investigate all complaints, and will respond in a way that it deems appropriate to the circumstances. The project team is obligated to maintain confidentiality with regard to the reporter of an incident. Further details of specific enforcement policies may be posted separately. Project maintainers who do not follow or enforce the Code of Conduct in good faith may face temporary or permanent repercussions as determined by other members of the project's leadership. ## Attribution This Code of Conduct is adapted from the [Contributor Covenant][homepage], version 1.4, available at [http://contributor-covenant.org/version/1/4][version] [homepage]: http://contributor-covenant.org [version]: http://contributor-covenant.org/version/1/4/ avogadrolibs-1.100.0/CONTRIBUTING.md000066400000000000000000000172221474375334400166000ustar00rootroot00000000000000# Contributing Avogadro welcomes new development and ideas! We are an open community, made better by all of us. If you're an Avogadro user who wants to give back, a great place to start is supporting your fellow users on the [Avogadro Forum](https://discuss.avogadro.cc/). Questions of all levels are posted, and you may find that there are some for which your experience is very valuable! If you find a bug or have a feature suggestion, please take a moment to submit a description to the [GitHub Tracker](https://github.com/openchemistry/avogadrolibs/issues/), which helps as an open database of issues and suggestions as the code is developed. While there are several different GitHub repositories for the project, we will move issues around if they better fit a particular component. For development of Avogadro itself, the [Avogadro Forum](https://discuss.avogadro.cc/) has sections for discussing ideas, planned directions, work in progress, etc. This includes both the C++ libraries and Python scripts and utilities. ## Contributing Code Our project uses the standard GitHub pull request process for code review and integration. Please check our [development][Development] guide for more details on developing and contributing to the project. The [GitHub issue tracker](https://github.com/openchemistry/avogadrolibs/issues) can be used to report bugs, make feature requests, etc. The best way to coordinate development, get support, and offer feedback is through the [Avogadro Discussion forum](https://discuss.avogadro.cc/) If you are new to Git, the Software Carpentry's [Version Control with Git](https://swcarpentry.github.io/git-novice/) tutorial is a good place to start. More learning resources are listed in the [GitHub Learning Resources] (https://help.github.com/en/github/getting-started-with-github/git-and-github-learning-resources) 1. Make sure you have a free [GitHub](https://github.com/) account. To increase the security of your account, we strongly recommend that you configure [two-factor authentication](https://docs.github.com/en/github/authenticating-to-github/securing-your-account-with-two-factor-authentication-2fa). Additionally, you may want to [sign your commits](https://docs.github.com/en/github/authenticating-to-github/managing-commit-signature-verification). We will not accept commits without your full name in the signature for proper attribution and citation. Please do not submit (semi-)anonymous contributions. 2. Fork the [OpenChemistry repository](https://github.com/openchemistry/openchemistry) on GitHub to make your changes. To keep your copy up to date with respect to the main repository, you need to frequently [sync your fork](https://help.github.com/en/github/collaborating-with-issues-and-pull-requests/syncing-a-fork): In general, most changes occur in the `avogadrolibs` repository, with some fewer changes in the `avogadroapp` repository too. ``` git remote add upstream https://github.com/openchemistry/avogadrolibs git fetch upstream git checkout dev git merge upstream/dev ``` 3. Build OpenChemistry and `avogadrolibs`. You will find full instructions on [building from source code](http://two.avogadro.cc/install/build.html) on the Avogadro2 website. 4. Avogadro contains dozens of tests of different types and complexity and running each is difficult and probably not reasonable on your workstation. Most will be run as part of our Continuous Integration as part of a pull request. If possible, also try to add new tests for the features added or bugs fixed by your pull request. Developers reviewing your pull request will be happy to help you add or run the relevant tests as part of the pull request review process. 5. Write a useful and properly formatted commit message. Follow [these guidelines and template](https://git-scm.com/book/en/v2/Distributed-Git-Contributing-to-a-Project#_commit_guidelines), in particular start your message with a short imperative sentence on a single line, possibly followed by a blank line and a more detailed explanation. In the detailed explanation it's good to include relevant external references (e.g. GitHub issue fixed) using full URLs, and errors or tracebacks the commit is supposed to fix. You can use the Markdown syntax for lists and code highlighting, wrapping the explanation text at 72 characters when possible. 6. Commit and push your changes to your [fork](https://help.github.com/en/github/using-git/pushing-commits-to-a-remote-repository). 7. Open a [pull request](https://help.github.com/en/github/collaborating-with-issues-and-pull-requests/creating-a-pull-request) with these changes. Your pull request message ideally should include: * Why you made the changes (e.g. references to GitHub issues being fixed). * A description of the implementation of the changes. * How to test the changes, if you haven't included specific tests already. 8. The pull request should pass all the continuous integration tests which are automatically started by GitHub. 9. Your pull request will be handled by code review and the continuous integration tests. ## Coding Conventions ### C++ Features * Don't use exceptions or asserts - Avogadro is production code and should never crash * Prefer solutions from the Qt library over Boost/others in Qt dependent code * In Avogadro use the C++11 or C++17 features where necessary, they fall back to Boost on older compilers * Be careful about using newer language features, since Avogadro runs on many different compilers and platforms. Visual C++ and Clang may not support every feature in GCC. * Minimize dependencies on third party libraries, think carefully before adding more. If in doubt, please ask. * Use templates where they make sense ### Casting * Avoid C-style casts, prefer C++ (static_cast, dynamic_cast, const_cast, reinterpret_cast) * For Qt classes, and Qt derived classes prefer qobject_cast over dynamic_cast ### Aesthetics * Prefer enums to define constants over static const int or defines * Prefer verbose argument names in headers * Most IDEs show the argument names in their autocompletion * It looks better in the generated documentation * Poor style making people guess what an argument is for * Avoid abbreviations, as they are often ambiguous and we can afford the extra bytes * Please use comments and docstrings frequently. You will appreciate it yourself when looking back over code. It may make sense now, but in a few weeks or months, you may not remember why you wrote that particular implementation. (Let alone reading other people's code in a large project.) For more on [Coding Style](http://two.avogadro.cc/contrib/style.html) see the [style guide](http://two.avogadro.cc/contrib/style.html) which is enforced through `clang-format` which runs as part of our continuous integration. ## A Quick Note About Plugins For the most part, Avogadro plugins should be published to your own repository. Examples: * Input Generators: * Example Commands: * cclib Import: * Nanocar Builder: * ASE: * RDKit: * GenIce: * SciKitNano: [Development]: http://two.avogadro.cc/contrib/code.html "Development guide" [Wiki]: http://wiki.openchemistry.org/ "Open Chemistry wiki" [Doxygen]: http://two.avogadro.cc/api/index.html "API documentation" avogadrolibs-1.100.0/CTestConfig.cmake000066400000000000000000000003761474375334400175230ustar00rootroot00000000000000set(CTEST_PROJECT_NAME "AvogadroLibs") set(CTEST_NIGHTLY_START_TIME "23:59:59 UTC") set(CTEST_DROP_METHOD "http") set(CTEST_DROP_SITE "cdash.openchemistry.org") set(CTEST_DROP_LOCATION "/submit.php?project=AvogadroLibs") set(CTEST_DROP_SITE_CDASH TRUE) avogadrolibs-1.100.0/LICENSE000066400000000000000000000027451474375334400153600ustar00rootroot00000000000000Copyright (c) 2011-2020, Kitware, Inc. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: 1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. 2. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. 3. Neither the name of the copyright holder nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. avogadrolibs-1.100.0/PRIVACY.md000066400000000000000000000061711474375334400160070ustar00rootroot00000000000000 # Privacy Policy This privacy policy applies to the Avogadro application (hereby referred to as "Application") that was created by the Avogadro Project (hereby referred to as "Service Provider") as an Open Source service. This service is intended for use "AS IS". **What information does the Application obtain and how is it used?** The Application does not obtain any information when you download and use it. Registration is not required to use the Application. **Does the Application collect precise real time location information of the device?** This Application does not collect precise information about the location of your device. **Do third parties see and/or have access to information obtained by the Application?** Since the Application does not collect any information, no data is shared with third parties. **What are my opt-out rights?** You can stop all collection of information by the Application easily by uninstalling it. You may use the standard uninstall processes as may be available as part of your device. **Children** The Application is not used to knowingly solicit data from or market to children under the age of 13. The Service Provider does not knowingly collect personally identifiable information from children. The Service Provider encourages all children to never submit any personally identifiable information through the Application and/or Services. The Service Provider encourage parents and legal guardians to monitor their children's Internet usage and to help enforce this Policy by instructing their children never to provide personally identifiable information through the Application and/or Services without their permission. If you have reason to believe that a child has provided personally identifiable information to the Service Provider through the Application and/or Services, please contact the Service Provider (https://discuss.avogadro.cc/) so that they will be able to take the necessary actions. You must also be at least 16 years of age to consent to the processing of your personally identifiable information in your country (in some countries we may allow your parent or guardian to do so on your behalf). **Security** The Service Provider is concerned about safeguarding the confidentiality of your information. However, since the Application does not collect any information, there is no risk of your data being accessed by unauthorized individuals. **Changes** This Privacy Policy may be updated from time to time for any reason. The Service Provider will notify you of any changes to their Privacy Policy by updating this page with the new Privacy Policy. You are advised to consult this Privacy Policy regularly for any changes, as continued use is deemed approval of all changes. This privacy policy is effective as of 2024-12-12 **Your Consent** By using the Application, you are consenting to the processing of your information as set forth in this Privacy Policy now and as amended by the Service Provider. **Contact Us** If you have any questions regarding privacy while using the Application, or have questions about the practices, please contact the Service Provider at https://discuss.avogadro.cc/ avogadrolibs-1.100.0/README.md000066400000000000000000000116131474375334400156240ustar00rootroot00000000000000# ![Avogadro 2][Avogadro2Logo] Avogadro 2 [![Latest Release](https://img.shields.io/github/v/release/openchemistry/avogadrolibs)](https://github.com/OpenChemistry/avogadrolibs/releases) [![BSD License](https://img.shields.io/github/license/openchemistry/avogadrolibs)](https://github.com/OpenChemistry/avogadrolibs/blob/master/LICENSE) [![Build Status](https://img.shields.io/github/actions/workflow/status/openchemistry/avogadrolibs/build_cmake.yml?branch=master)](https://github.com/OpenChemistry/avogadrolibs/actions) [![Codacy Badge](https://app.codacy.com/project/badge/Grade/44bb12662c564ed8a27ee8a7fd89ed50)](https://app.codacy.com/gh/OpenChemistry/avogadrolibs/dashboard?utm_source=gh&utm_medium=referral&utm_content=&utm_campaign=Badge_grade) [![Download Count](https://avogadro.cc/downloads.svg?readme)](https://github.com/OpenChemistry/avogadrolibs/releases) [![Citation Count](https://avogadro.cc/citations.svg?readme)](http://doi.org/10.1186/1758-2946-4-17) [![PRs Welcome](https://img.shields.io/badge/PRs-welcome-brightgreen.svg?style=flat)](http://makeapullrequest.com) [![GitHub contributors](https://img.shields.io/github/contributors/openchemistry/avogadrolibs.svg?style=flat&color=0bf)](https://github.com/OpenChemistry/avogadrolibs/graphs/contributors) [![OpenCollective Backers](https://img.shields.io/opencollective/all/open-chemistry)](https://opencollective.com/open-chemistry) ## Introduction Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture. Core features and goals of the Avogadro project include: * Open source distributed under the liberal 3-clause BSD license * Cross platform with builds on Linux, Mac OS X and Windows * Intuitive interface designed to be useful to whole community * Fast and efficient embracing the latest technologies * Extensible, making extensive use of a plugin architecture * Flexible supporting a range of chemical data formats and packages The code in this repository is a rewrite of Avogadro with source code split across a [libraries repository](https://github.com/openchemistry/avogadrolibs) and an [application repository](https://github.com/openchemistry/avogadroapp). The new code architecture provides a high-performance rendering engine, modern code development, and significantly improved speed and stability. Avogadro 2 is being developed as part of the [Open Chemistry][OpenChemistry] project by an open community, and was started at [Kitware][Kitware] as an open source community project. The Avogadro 1.x series currently has more features, and can be found [here][Avogadro1]. We are actively porting more features to the Avogadro 2 code base, and making regular releases to get feedback from the community. ## Installing We provide nightly binaries built by GitHub actions for: * [Linux AppImage](https://nightly.link/OpenChemistry/avogadrolibs/workflows/build_cmake/master/Avogadro2.AppImage.zip) * [MacOS](https://nightly.link/OpenChemistry/avogadrolibs/workflows/build_cmake/master/macOS.dmg.zip) * [Windows 64-bit](https://nightly.link/OpenChemistry/avogadrolibs/workflows/build_cmake/master/Win64.exe.zip) If you would like to build from source we recommend that you follow our [building Open Chemistry][Build] guide that will take care of building most dependencies. ## Contributing We welcome *all* kinds of contributions as a community project, from bug reports, feature suggestions, language translations, Python plugins, and C++ code development. Our project uses the standard GitHub pull request process for code review and integration. Please check our [contribution][Contribution] guide for more details on developing and contributing to the project. The [GitHub issue tracker](https://github.com/openchemistry/avogadrolibs/issues/) can be used to report bugs, make feature requests, etc. Our API is [documented online][API] with updated documentation generated nightly. To introduce yourself, ask for help, or general discussion, we welcome everyone to our [forum](https://discuss.avogadro.cc/) Contributors Hall of Fame: [Avogadro2Logo]: https://raw.githubusercontent.com/OpenChemistry/avogadrolibs/master/docs/avogadro2_64.png "Avogadro2" [OpenChemistry]: http://openchemistry.org/ "Open Chemistry Project" [OpenChemistryLogo]: https://raw.githubusercontent.com/OpenChemistry/avogadrolibs/master/docs/OpenChemistry128.png "Open Chemistry" [Kitware]: http://kitware.com/ "Kitware, Inc." [Avogadro1]: http://avogadro.cc/ "Avogadro 1" [Build]: https://two.avogadro.cc/install/build.html "Building Avogadro" [Contribution]: https://two.avogadro.cc/contrib/ "Contribution guide" [API]: https://two.avogadro.cc/api/ "API documentation" avogadrolibs-1.100.0/SECURITY.md000066400000000000000000000015531474375334400161400ustar00rootroot00000000000000# Security Policy ## Supported Versions At the moment, Avogadro2 is in beta release. As such, we can most easily support security updates on the most recent release and current nightly snapshots. We will work with distributions (e.g., Ubuntu, FreeBSD, etc.) to provide security patches for widely used long-term-support OS. | Version | Supported | | ------- | ------------------ | | 1.100.x | :white_check_mark: | | 1.99.x | :white_check_mark: | | < 1.99 | :x: | ## Reporting a Vulnerability We currently support private security vulnerability reporting through our [GitHub](https://docs.github.com/en/code-security/security-advisories/guidance-on-reporting-and-writing/privately-reporting-a-security-vulnerability) pages. We will work to verify the security vulnerability within 14 days and a patch or new release within 30 days of reporting. avogadrolibs-1.100.0/STYLE.md000066400000000000000000000131251474375334400155670ustar00rootroot00000000000000# clang-format We use [clang-format][clang-format] to keep formatting in the code base consistent. Please run clang-format on your patches before submitting. clang-format ships with a Python script ```clang/tools/clang-format-diff.py``` that can be used to reformat patches. For example the following command will reformat all the lines in the latest commit ```shell git diff -U0 HEAD^ | clang-format-diff.py -i -p1 ``` clang-format also provides [git-clang-format][git-clang-format], a script that more closely integrates with git. If you add this script to your path you can using the following command to reformat all the lines in the latest commit. ```shell git clang-format HEAD~1 ``` ## clang-format-diff locations by platform The exact location of the Python script varies by platform/distro. The table below provides the location on some common platform/distro's | Platform/Distro. | Location | | ---------------- |:-------------------------------------:| | Arch Linux | /usr/share/clang/clang-format-diff.py | | Ubuntu | /usr/bin/clang-format-diff-3.8 | The script can also be downloaded [here][clang-format-diff]. ## Code style This project is developed primarily in C++ and Python. Please follow these code style guidelines when contributing code to our project. * Alphabetize includes * Use #include "xxx" for local includes, #include \ for external includes. * Do not add comment separators before function definitions. * Split long lines, when reasonable, to avoid going over 80 characters per line. * Add a space after the commas in parameter lists, e.g., function(a, b, c), not function(a,b,c) * Add spaces between operators, e.g. 5 - 2, not 5-2. * For class names, use CamelCase, starting their names with an upper-case letter. * For local variables and function names, use camelCase, starting names with a lower-case letter. * For member variables, prefix them with m\_, i.e. m\_camelCase, starting the name with a lower-case letter. * For comments, add a space between // and the beginning of the comment, e.g., * // A comment * \# Python comment * Use 2 spaces when indenting C++ code, 4 spaces for Python code. * Do not indent inside namespaces, e.g., ```c++ namespace Avogadro { namespace Core { void foo(); } } ``` * Curly braces marking the start and end of a code block should be on separate lines and aligned vertically with the statement preceding the block, e.g., ```c++ if (condition) { statement; } for (int i = 0; i < n; ++i) { statement; } ``` * Assume that C++11 features are available, and prefer them over legacy macros, defines, etc. A few examples follow, but are not exhaustive. * Use override to specify member overrides in derived classes. * Set default values of member variables directly in definitions. * Use nullptr instead of NULL. ### C++ Features * Don't use exceptions * Prefer solutions from the Qt library over others in Qt dependent code * Minimize dependencies on third party libraries, think carefully before adding more * Use templates where they make sense ### Including Headers * In public headers, always use this form to include project headers: #include * Prefer declaration of types in public headers over including headers for the type ```c++ namespace Avogadro { class MyClass; } ``` * In source files include specialized headers first, then dependency headers, then generic headers ```c++ #include "myapiheader.h" // Our header #include // Avogadro header from a different module #include // Qt header #include // STL ``` * If you need to include the export header for the module do it as the first include ```c++ #include "avogadrorenderingexport.h" ``` * Private headers are denoted by _p.h endings, and should not be included in public headers * Use the Qt module and camel-cased header * Never include Qt module headers such as QtGui, instead include the header for the class being used ```c++ #include // WRONG (module header)! #include // Correct ``` ### Namespaces * Avogadro uses nested namespaces * Everything is inside the Avogadro namespace * Code in the core module is in the Avogadro::Core namespace * Don't overspecify, i.e. code in the Avogadro namespace doesn't need to use Avogadro:: * Qt signals and slots are one exception where MOC often needs a little help * Never use using inside a public header * Only pull in specific symbols in source files, i.e. using Avogadro::Core::Molecule; ### Casting * Avoid C-style casts, prefer C++ (static_cast, dynamic_cast, const_cast, reinterpret_cast) * For Qt classes, and Qt derived classes prefer qobject_cast over dynamic_cast ### Aesthetics * Prefer enums to define constants over static const int or defines * Prefer verbose argument names in headers * Most IDEs show the argument names in their autocompletion * It looks better in the generated documentation * Poor style making people guess what an argument is for * Avoid abbreviations, as they are often ambiguous and we can afford the extra bytes [clang-format]: http://llvm.org/releases/3.8.0/tools/clang/docs/ClangFormatStyleOptions.html [git-clang-format]: https://llvm.org/svn/llvm-project/cfe/trunk/tools/clang-format/git-clang-format [flake8]: https://pypi.python.org/pypi/flake8 [clang-format-diff]: https://llvm.org/svn/llvm-project/cfe/trunk/tools/clang-format/clang-format-diff.py avogadrolibs-1.100.0/avogadro/000077500000000000000000000000001474375334400161455ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/CMakeLists.txt000066400000000000000000000051441474375334400207110ustar00rootroot00000000000000include(GenerateExportHeader) # May want to adjust the name, this more performs boilerplate library stuff now. function(avogadro_add_library name) # Add an alias target to expose to other targets. add_library(Avogadro::${name} ALIAS ${name}) # Use the new AUTOMOC support for Qt libraries (CMake 2.8.6). if(${name} MATCHES "^Qt") set_target_properties(${name} PROPERTIES AUTOMOC TRUE) endif() if(BUILD_SHARED_LIBS) set_target_properties(${name} PROPERTIES OUTPUT_NAME Avogadro${name} VERSION "${AvogadroLibs_VERSION_MAJOR}.${AvogadroLibs_VERSION_MINOR}.${AvogadroLibs_VERSION_PATCH}" SOVERSION ${AvogadroLibs_VERSION_MAJOR}) endif() string(TOLOWER ${name} _lower_name) string(TOUPPER ${name} _upper_name) # Generate the necessary export headers. generate_export_header(${name} BASE_NAME AVOGADRO${_upper_name} EXPORT_FILE_NAME avogadro${_lower_name}export.h) target_sources(${name} PUBLIC FILE_SET HEADERS FILES "${CMAKE_CURRENT_BINARY_DIR}/avogadro${_lower_name}export.h") # Set up the build and install include directories for the target. target_include_directories(${name} PUBLIC "$" "$" "$" "$") # Install the target and its headers. install(TARGETS ${name} EXPORT "AvogadroLibsTargets" FILE_SET HEADERS DESTINATION "${INSTALL_INCLUDE_DIR}/avogadro" RUNTIME DESTINATION "${INSTALL_RUNTIME_DIR}" LIBRARY DESTINATION "${INSTALL_LIBRARY_DIR}" ARCHIVE DESTINATION "${INSTALL_ARCHIVE_DIR}" INCLUDES DESTINATION "${INSTALL_INCLUDE_DIR}") endfunction() # Simple wrapper to collect boilerplate for adding headers to targets. function(avogadro_headers _name) target_sources(${_name} PUBLIC FILE_SET HEADERS BASE_DIRS ${AvogadroLibs_SOURCE_DIR}/avogadro ${AvogadroLibs_BINARY_DIR}/avogadro FILES ${ARGN}) endfunction() add_subdirectory(core) add_subdirectory(calc) add_subdirectory(io) add_subdirectory(quantumio) # SKBUILD is set for binary wheel if(NOT SKBUILD) add_subdirectory(command) endif() if(USE_OPENGL) add_subdirectory(rendering) endif() if(USE_QT) if (NOT MSVC) set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -Wno-deprecated-declarations") endif() add_subdirectory(qtgui) if(USE_OPENGL) add_subdirectory(qtopengl) endif() # Add unconditionally as this talks to MoleQueue, but doesn't depend on it. add_subdirectory(molequeue) if(USE_VTK) add_subdirectory(vtk) endif() add_subdirectory(qtplugins) endif() avogadrolibs-1.100.0/avogadro/calc/000077500000000000000000000000001474375334400170475ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/calc/CMakeLists.txt000066400000000000000000000006071474375334400216120ustar00rootroot00000000000000add_library(Calc) avogadro_headers(Calc chargemodel.h chargemanager.h defaultmodel.h energycalculator.h energymanager.h lennardjones.h ) target_sources(Calc PRIVATE chargemodel.cpp chargemanager.cpp defaultmodel.cpp energycalculator.cpp energymanager.cpp lennardjones.cpp ) avogadro_add_library(Calc) target_link_libraries(Calc PUBLIC Avogadro::Core cppoptlib) avogadrolibs-1.100.0/avogadro/calc/chargemanager.cpp000066400000000000000000000142351474375334400223440ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "chargemanager.h" #include "chargemodel.h" #include "defaultmodel.h" namespace Avogadro::Calc { // Helper function to convert a string to lowercase // to register all lower-case identifiers std::string toLower(const std::string& str) { std::string result = str; std::transform(result.begin(), result.end(), result.begin(), ::tolower); return result; } ChargeManager& ChargeManager::instance() { static ChargeManager instance; return instance; } void ChargeManager::appendError(const std::string& errorMessage) { m_error += errorMessage + "\n"; } bool ChargeManager::registerModel(ChargeModel* model) { return instance().addModel(model); } bool ChargeManager::unregisterModel(const std::string& identifier) { return instance().removeModel(identifier); } bool ChargeManager::addModel(ChargeModel* model) { if (model == nullptr) { appendError("Supplied model was null."); return false; } if (m_identifiers.find(model->identifier()) != m_identifiers.end()) { appendError("Model " + model->identifier() + " already loaded."); return false; } // If we got here then the format is unique enough to be added. size_t index = m_models.size(); m_models.push_back(model); std::string lowerId = toLower(model->identifier()); m_identifiers[lowerId] = index; m_identifierToName[lowerId] = model->name(); return true; } bool ChargeManager::removeModel(const std::string& identifier) { std::string lowerId = toLower(identifier); auto ids = m_identifiers[lowerId]; m_identifiers.erase(lowerId); m_identifierToName.erase(lowerId); ChargeModel* model = m_models[ids]; if (model != nullptr) { m_models[ids] = nullptr; delete model; } return true; } std::string ChargeManager::nameForModel(const std::string& identifier) const { std::string lowerId = toLower(identifier); auto it = m_identifierToName.find(lowerId); if (it == m_identifierToName.end()) { return identifier; } return it->second; } ChargeManager::ChargeManager() { // add any default models here (EEM maybe?) } ChargeManager::~ChargeManager() { // Delete the models that were loaded. for (auto& m_model : m_models) { delete m_model; } m_models.clear(); } std::set ChargeManager::identifiersForMolecule( const Core::Molecule& molecule) const { // start with the types already in the molecule std::set identifiers = molecule.partialChargeTypes(); // check our models for compatibility for (auto* m_model : m_models) { // We check that every element in the molecule // is handled by the model auto mask = m_model->elements() & molecule.elements(); if (mask.count() == molecule.elements().count()) identifiers.insert(m_model->identifier()); // this one will work } return identifiers; } MatrixX ChargeManager::partialCharges(const std::string& identifier, Core::Molecule& molecule) const { // first check if the type is found in the molecule // (i.e., read from a file not computed dynamically) auto molIdentifiers = molecule.partialChargeTypes(); std::string lowerId = toLower(identifier); if (molIdentifiers.find(lowerId) != molIdentifiers.end()) { return molecule.partialCharges(lowerId); } // otherwise go through our list if (m_identifiers.find(lowerId) == m_identifiers.end()) { MatrixX charges(molecule.atomCount(), 1); // we have to return something, so zeros return charges; } const auto id = m_identifiers[lowerId]; const ChargeModel* model = m_models[id]; return model->partialCharges(molecule); } Vector3 ChargeManager::dipoleMoment(const std::string& identifier, const Core::Molecule& molecule) const { // If the type is found in the molecule // we'll use the DefaultModel to handle the dipole moment auto molIdentifiers = molecule.partialChargeTypes(); std::string lowerId = toLower(identifier); if (molIdentifiers.find(lowerId) != molIdentifiers.end()) { DefaultModel model(lowerId); // so it knows which charges to use return model.dipoleMoment(molecule); } // otherwise go through our list if (m_identifiers.find(lowerId) == m_identifiers.end()) { return Vector3(0.0, 0.0, 0.0); } if (molecule.atomCount() < 2) { return Vector3(0.0, 0.0, 0.0); } const auto id = m_identifiers[lowerId]; const ChargeModel* model = m_models[id]; return model->dipoleMoment(molecule); } double ChargeManager::potential(const std::string& identifier, Core::Molecule& molecule, const Vector3& point) const { // If the type is found in the molecule // we'll use the DefaultModel to handle the potential auto molIdentifiers = molecule.partialChargeTypes(); if (molIdentifiers.find(identifier) != molIdentifiers.end()) { DefaultModel model(identifier); // so it knows which charges to use return model.potential(molecule, point); } // otherwise go through our list if (m_identifiers.find(identifier) == m_identifiers.end()) { return 0.0; } const auto id = m_identifiers[identifier]; const ChargeModel* model = m_models[id]; return model->potential(molecule, point); } Core::Array ChargeManager::potentials( const std::string& identifier, Core::Molecule& molecule, const Core::Array& points) const { // As above auto molIdentifiers = molecule.partialChargeTypes(); if (molIdentifiers.find(identifier) != molIdentifiers.end()) { DefaultModel model(identifier); // so it knows which charges to use return model.potentials(molecule, points); } if (m_identifiers.find(identifier) == m_identifiers.end()) { Core::Array potentials(points.size(), 0.0); return potentials; } const auto id = m_identifiers[identifier]; const ChargeModel* model = m_models[id]; return model->potentials(molecule, points); } } // namespace Avogadro::Calc avogadrolibs-1.100.0/avogadro/calc/chargemanager.h000066400000000000000000000123041474375334400220040ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CALC_CHARGEMANAGER_H #define AVOGADRO_CALC_CHARGEMANAGER_H #include "avogadrocalcexport.h" #include #include #include #include #include #include #include namespace Avogadro { namespace Core { class Molecule; } namespace Calc { class ChargeModel; /** * @class ChargeManager chargemanager.h * * @brief Class to manage registration, searching and creation of partial charge * models. * @author Geoffrey R. Hutchison * * The charge manager is a singleton class that handles the runtime * registration, search, creation and eventual destruction of electrostatics * models. It can be used to gain a listing of available models, register new * models, etc. * * All electrostatics can take place independent of this code, but for automated * registration and look up, this is the preferred API. It is possible to use * the convenience API without ever dealing directly with a model class. */ class AVOGADROCALC_EXPORT ChargeManager { public: /** * Get the singleton instance of the charge manager. This instance should * not be deleted. */ static ChargeManager& instance(); /** * @brief Register a new charge model with the manager. * @param model An instance of the model to manage, the manager assumes * ownership of the object passed in. * @return True on success, false on failure. */ static bool registerModel(ChargeModel* model); /** * @brief Unregister a charge model from the manager. * @param identifier The identifier for the model to remove. * @return True on success, false on failure. */ static bool unregisterModel(const std::string& identifier); /** * Add the supplied @p model to the manager, registering its ID and other * relevant data for later lookup. The manager assumes ownership of the * supplied object. * @return True on success, false on failure. */ bool addModel(ChargeModel* model); /** * Remove the model with the identifier @a identifier from the manager. * @return True on success, false on failure. */ bool removeModel(const std::string& identifier); /** * Get a list of all loaded identifiers */ std::set identifiers() const; /** * @brief Get a list of models that work for this molecule. * * Includes partial charge types in the molecule itself (e.g., from a file) * This is probably the method you want to get a list for a user */ std::set identifiersForMolecule( const Core::Molecule& molecule) const; std::string nameForModel(const std::string& identifier) const; /** * This method will calculate atomic partial charges and save them, * if the model is available (i.e., the molecule will change) * Note that some models do not have well-defined atomic partial charges * @return atomic partial charges for the molecule, or 0.0 if undefined */ MatrixX partialCharges(const std::string& identifier, Core::Molecule& mol) const; /** * Calculate the atomic partial charges and leave the molecule unchanged. * Note that some models do not have well-defined atomic partial charges * @return the dipole moment for the molecule, or 0.0 if undefined */ MatrixX partialCharges(const std::string& identifier, const Core::Molecule& mol) const; /** * @return the dipole moment for the molecule, or 0.0 if the model is not * available */ Vector3 dipoleMoment(const std::string& identifier, const Core::Molecule& mol) const; /** * @return the potential at the point for the molecule, or 0.0 if the model is * not available */ double potential(const std::string& identifier, Core::Molecule& mol, const Vector3& point) const; /** * @return the potentials at the point for the molecule, or an array of 0.0 if * the model is not available */ Core::Array potentials(const std::string& identifier, Core::Molecule& mol, const Core::Array& points) const; /** * Get any errors that have been logged when loading models. */ std::string error() const; private: using ChargeIdMap = std::map; ChargeManager(); ~ChargeManager(); ChargeManager(const ChargeManager&); // Not implemented. ChargeManager& operator=(const ChargeManager&); // Not implemented. /** * @brief Append warnings/errors to the error message string. * @param errorMessage The error message to append. */ void appendError(const std::string& errorMessage); std::vector m_models; mutable ChargeIdMap m_identifiers; mutable std::map m_identifierToName; std::string m_error; }; } // namespace Calc } // namespace Avogadro #endif // AVOGADRO_CALC_CHARGEMANAGER_H avogadrolibs-1.100.0/avogadro/calc/chargemodel.cpp000066400000000000000000000053021474375334400220250ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "chargemodel.h" #include #include #include namespace Avogadro { using Core::Array; using Core::Molecule; namespace Calc { #ifndef M_PI constexpr double M_PI = 3.14159265358979323846; #endif Vector3 ChargeModel::dipoleMoment(const Molecule& mol) const { if (mol.atomCount() < 2) return Vector3(0.0, 0.0, 0.0); // default is to get the set of partial atomic charges // (some models might do something more sophisticated) const MatrixX charges = partialCharges(mol); // also get the positions of the atoms const Array positions = mol.atomPositions3d(); Vector3 dipole(0.0, 0.0, 0.0); if (charges.rows() != positions.size()) std::cout << "Error: charges " << charges.rows() << " != positions " << positions.size() << std::endl; for (unsigned int i = 0; i < charges.size(); ++i) dipole += charges(i, 0) * positions[i]; dipole *= 4.80320471257; // convert to Debye from electron-Angstrom return dipole; } double ChargeModel::potential(Molecule& mol, const Vector3& point) const { // default is to get the set of partial atomic charges const MatrixX charges = partialCharges(mol); // also get the positions of the atoms const Array positions = mol.atomPositions3d(); // @todo: this is naive and inefficient // calculate the atoms within a cutoff distance // and sum the potentials // note this is usually multithreaded by the caller // but more efficient methods can be implemented double potential = 0.0; for (unsigned int i = 0; i < charges.size(); ++i) { double distance = (positions[i] - point).norm(); if (distance > 0.01) { // drop small distances to avoid overflow potential += charges(i, 0) / distance; } } return potential / m_dielectric; } Array ChargeModel::potentials(Core::Molecule& mol, const Array& points) const { // This is naive and slow, but can be re-implemented by methods // for batching Array potentials(points.size(), 0.0); for (unsigned int i = 0; i < points.size(); ++i) potentials[i] = potential(mol, points[i]); return potentials; } void ChargeModel::appendError(const std::string& errorString, bool newLine) const { m_error += errorString; if (newLine) m_error += "\n"; } } // namespace Calc } // namespace Avogadro avogadrolibs-1.100.0/avogadro/calc/chargemodel.h000066400000000000000000000101461474375334400214740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CALC_CHARGEMODEL_H #define AVOGADRO_CALC_CHARGEMODEL_H #include "avogadrocalcexport.h" #include #include #include #include #include namespace Avogadro::Calc { /** * @class ChargeModel chargemodel.h * @brief General API for charge / electrostatics models * @author Geoffrey R. Hutchison * * This serves as the common base class for electrostatics models. * Many use atomic point charges, but we also allow for custom models * for Slater / Gaussian distributions, distributed electrostatics, * use of quantum mechanics, etc. * * Key methods are to determine either atomic partial charges or * electrostatic potentials at particular points in space. * * There is a default implementation for the electrostatic potential * at points in space, based on the atomic partial charges. If you * implement a different mechanism, you should override this method. */ class AVOGADROCALC_EXPORT ChargeModel { public: ChargeModel() = default; virtual ~ChargeModel() = default; /** * Create a new instance of the model. Ownership passes to the * caller. */ virtual ChargeModel* newInstance() const = 0; /** * @brief A unique identifier, used to retrieve models programmatically. * EEM2, NPA, etc. A runtime warning will be generated if the identifier * is not unique. */ virtual std::string identifier() const = 0; /** * @brief A user-visible name of the model (e.g., "Natural Population * Analysis") */ virtual std::string name() const = 0; /** * @brief Indicate if your method only treats a subset of elements * @return an element mask corresponding to the defined subset */ virtual Core::Molecule::ElementMask elements() const = 0; /** * Set the dielectric constant for the model. * @param dielectric constant. */ virtual void setDielectric(float dielectric) { m_dielectric = dielectric; }; /** * @return The dielectric constant. */ virtual float dielectric() const { return m_dielectric; } virtual MatrixX partialCharges(Core::Molecule& mol) const = 0; virtual MatrixX partialCharges(const Core::Molecule& mol) const = 0; /** * @brief Calculate the dipole moment of the molecule. * * Defaults to using the partial charges and atomic positions * to calculate the net dipole moment. * @return The dipole moment vector of the molecule */ virtual Vector3 dipoleMoment(const Core::Molecule& mol) const; /** * @brief Calculate the electrostatic potential at a particular point in * space. * @param mol The molecule to calculate the potential for. * @param point The point in space to calculate the potential at. * @return The electrostatic potential at the point. */ virtual double potential(Core::Molecule& mol, const Vector3& point) const; /** * @brief Calculate the electrostatic potential at multiple points * @param mol The molecule to calculate the potential for. * @param array The points in space to calculate the potential at. * @return The electrostatic potential at the points in an array. * * This method is used for batch calculation and defaults to simply * calculating each point at a time. Some methods work faster in batches. */ virtual Core::Array potentials( Core::Molecule& mol, const Core::Array& points) const; protected: /** * @brief Append an error to the error string for the model. * @param errorString The error to be added. * @param newLine Add a new line after the error string? */ void appendError(const std::string& errorString, bool newLine = true) const; private: mutable std::string m_error; float m_dielectric = 1.0f; }; } // namespace Avogadro::Calc #endif // AVOGADRO_CALC_CHARGEMODEL_H avogadrolibs-1.100.0/avogadro/calc/defaultmodel.cpp000066400000000000000000000017241474375334400222240ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "defaultmodel.h" #include #include namespace Avogadro::Calc { // Base class constructors are called automatically DefaultModel::DefaultModel(const std::string& id) : m_identifier(id) { // we don't know which elements are in the molecule // but we can just say all of them are okay // (because this method should work for any molecule) m_elements.set(); } MatrixX DefaultModel::partialCharges(Core::Molecule& mol) const { return mol.partialCharges(m_identifier); } MatrixX DefaultModel::partialCharges(const Core::Molecule& mol) const { return mol.partialCharges(m_identifier); } } // namespace Avogadro::Calc avogadrolibs-1.100.0/avogadro/calc/defaultmodel.h000066400000000000000000000044111474375334400216650ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CALC_DEFAULTMODEL_H #define AVOGADRO_CALC_DEFAULTMODEL_H #include "avogadrocalcexport.h" #include namespace Avogadro { namespace Core { class Molecule; } namespace Calc { /** * @class DefaultModel defaultmodel.h * @brief Default charge model for file-provided atomic charges * @author Geoffrey R. Hutchison * * This is a default model for using atomic partial charges from a * file (e.g., quantum chemistry packages often provide Mulliken charges) * * The class */ class AVOGADROCALC_EXPORT DefaultModel : public ChargeModel { public: DefaultModel(const std::string& identifier = ""); virtual ~DefaultModel() = default; /** * Create a new instance of the file format class. Ownership passes to the * caller. */ virtual DefaultModel* newInstance() const override { return new DefaultModel; } /** * @brief A unique identifier defined by the file */ virtual std::string identifier() const override { return m_identifier; } /** * @brief Set the identifier */ virtual void setIdentifier(const std::string& identifier) { m_identifier = identifier; } /** * @brief We don't have any other name beyond the identifier in the file */ virtual std::string name() const override { return m_identifier; } /** * @brief This default method is defined for whatever is in a molecule * @return all elements - technically not true, but we don't have the mol */ virtual Core::Molecule::ElementMask elements() const override { return (m_elements); } /** * @brief Retrieve the relevant charges from the molecule for our defined type */ virtual MatrixX partialCharges(Core::Molecule& mol) const override; virtual MatrixX partialCharges(const Core::Molecule& mol) const override; protected: std::string m_identifier; Core::Molecule::ElementMask m_elements; }; } // namespace Calc } // namespace Avogadro #endif // AVOGADRO_CALC_CHARGEMODEL_H avogadrolibs-1.100.0/avogadro/calc/energycalculator.cpp000066400000000000000000000020111474375334400231100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "energycalculator.h" #include namespace Avogadro::Calc { void EnergyCalculator::gradient(const TVector& x, TVector& grad) { finiteGradient(x, grad); cleanGradients(grad); } void EnergyCalculator::cleanGradients(TVector& grad) { unsigned int size = grad.rows(); // check for overflows -- in case of divide by zero, etc. for (unsigned int i = 0; i < size; ++i) { if (!std::isfinite(grad[i]) || std::isnan(grad[i])) { grad[i] = 0.0; } } // freeze any masked atoms or coordinates if (m_mask.rows() == size) grad = grad.cwiseProduct(m_mask); else std::cerr << "Error: mask size " << m_mask.rows() << " " << grad.rows() << std::endl; } } // namespace Avogadro::Calc avogadrolibs-1.100.0/avogadro/calc/energycalculator.h000066400000000000000000000064731474375334400225750ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CALC_ENERGYCALCULATOR_H #define AVOGADRO_CALC_ENERGYCALCULATOR_H #include "avogadrocalcexport.h" #include #include #include #include namespace Avogadro { namespace Core { class Molecule; } namespace Calc { class AVOGADROCALC_EXPORT EnergyCalculator : public cppoptlib::Problem { public: EnergyCalculator() = default; ~EnergyCalculator() = default; /** * Create a new instance of the model. Ownership passes to the * caller. */ virtual EnergyCalculator* newInstance() const = 0; /** * @return a unique identifier for this calculator. */ virtual std::string identifier() const = 0; /** * @return A short translatable name for this method (e.g., MMFF94, UFF, etc.) */ virtual std::string name() const = 0; /** * @return a description of the method */ virtual std::string description() const = 0; /** * Called to set the configuration (e.g., for a GUI options dialog) */ virtual bool setConfiguration(Core::VariantMap& config) { return true; } /** * @brief Indicate if your method only treats a subset of elements * @return an element mask corresponding to the defined subset */ virtual Core::Molecule::ElementMask elements() const = 0; /** * @brief Indicate if your method can handle unit cells * @return true if unit cells are supported */ virtual bool acceptsUnitCell() const { return false; } /** * @brief Indicate if your method can handle ions * Many methods only treat neutral systems, either * a neutral molecule or a neutral unit cell. * * @return true if ions are supported */ virtual bool acceptsIons() const { return false; } /** * @brief Indicate if your method can handle radicals * Most methods only treat closed-shell molecules. * @return true if radicals are supported */ virtual bool acceptsRadicals() const { return false; } /** * Calculate the gradients for this method, defaulting to numerical * finite-difference methods */ virtual void gradient(const TVector& x, TVector& grad) override; /** * Called to 'clean' gradients @param grad (e.g., for constraints) */ void cleanGradients(TVector& grad); /** * Called to update the "frozen" mask (e.g., during editing) */ void setMask(TVector mask) { m_mask = mask; } /** * @return the frozen atoms mask */ TVector mask() const { return m_mask; } /** * Called when the current molecule changes. */ virtual void setMolecule(Core::Molecule* mol) = 0; protected: /** * @brief Append an error to the error string for the model. * @param errorString The error to be added. * @param newLine Add a new line after the error string? */ void appendError(const std::string& errorString, bool newLine = true) const; TVector m_mask; // optimize or frozen atom mask private: mutable std::string m_error; }; } // end namespace Calc } // end namespace Avogadro #endif // AVOGADRO_CALC_ENERGYCALCULATOR_H avogadrolibs-1.100.0/avogadro/calc/energymanager.cpp000066400000000000000000000067501474375334400224070ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "energymanager.h" #include "energycalculator.h" #include "lennardjones.h" namespace Avogadro::Calc { EnergyManager& EnergyManager::instance() { static EnergyManager instance; return instance; } void EnergyManager::appendError(const std::string& errorMessage) { m_error += errorMessage + "\n"; } bool EnergyManager::registerModel(EnergyCalculator* model) { return instance().addModel(model); } bool EnergyManager::unregisterModel(const std::string& identifier) { return instance().removeModel(identifier); } bool EnergyManager::addModel(EnergyCalculator* model) { if (model == nullptr) { appendError("Supplied model was null."); return false; } if (m_identifiers.find(model->identifier()) != m_identifiers.end()) { appendError("Model " + model->identifier() + " already loaded."); return false; } // If we got here then the model is unique enough to be added. size_t index = m_models.size(); m_models.push_back(model); m_identifiers[model->identifier()] = index; m_identifierToName[model->identifier()] = model->name(); return true; } EnergyCalculator* EnergyManager::model(const std::string& identifier) const { auto it = m_identifiers.find(identifier); if (it == m_identifiers.end()) { return nullptr; } return m_models[it->second]->newInstance(); } bool EnergyManager::removeModel(const std::string& identifier) { auto ids = m_identifiers[identifier]; m_identifiers.erase(identifier); m_identifierToName.erase(identifier); auto* model = m_models[ids]; if (model != nullptr) { m_models[ids] = nullptr; delete model; } return true; } std::string EnergyManager::nameForModel(const std::string& identifier) const { auto it = m_identifierToName.find(identifier); if (it == m_identifierToName.end()) { return identifier; } return it->second; } EnergyManager::EnergyManager() { // add any default models here // LJ is the fallback, since it can handle anything // (maybe not well, but it can handle it) addModel(new LennardJones); } EnergyManager::~EnergyManager() { // Delete the models that were loaded. for (auto& m_model : m_models) { delete m_model; } m_models.clear(); } std::set EnergyManager::identifiersForMolecule( const Core::Molecule& molecule) const { std::set identifiers; // check our models for compatibility for (auto* m_model : m_models) { if (m_model == nullptr) continue; // we can check easy things first // - is the molecule an ion based on total charge // - is the molecule a radical based on spin multiplicity // - does the molecule have a unit cell if (molecule.totalCharge() != 0 && !m_model->acceptsIons()) continue; if (molecule.totalSpinMultiplicity() != 1 && !m_model->acceptsRadicals()) continue; if (molecule.unitCell() != nullptr && !m_model->acceptsUnitCell()) continue; // Finally, we check that every element in the molecule // is handled by the model auto mask = m_model->elements() & molecule.elements(); if (mask.count() == molecule.elements().count()) identifiers.insert(m_model->identifier()); // this one will work } return identifiers; } } // namespace Avogadro::Calc avogadrolibs-1.100.0/avogadro/calc/energymanager.h000066400000000000000000000103221474375334400220420ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CALC_ENERGYMANAGER_H #define AVOGADRO_CALC_ENERGYMANAGER_H #include "avogadrocalcexport.h" #include #include #include #include #include #include #include namespace Avogadro { namespace Core { class Molecule; } namespace Calc { class EnergyCalculator; /** * @class EnergyManager chargemanager.h * * @brief Class to manage registration, searching and creation of force field * (energy) calculators. * @author Geoffrey R. Hutchison * * The energy manager is a singleton class that handles the runtime * registration, search, creation and eventual destruction of calculators * for geometry optimization and molecular dynamics. * It can be used to gain a listing of available models, register new * models, etc. * * All energy calculation can take place independent of this code, but for * automated registration and look up, this is the preferred API. */ class AVOGADROCALC_EXPORT EnergyManager { public: /** * Get the singleton instance of the energy manager. This instance should * not be deleted. */ static EnergyManager& instance(); /** * @brief Register a new model with the manager. * @param model An instance of the calculator to manage, the manager assumes * ownership of the object passed in. * @return True on success, false on failure. */ static bool registerModel(EnergyCalculator* model); /** * @brief Unregister a charge model from the manager. * @param identifier The identifier for the model to remove. * @return True on success, false on failure. */ static bool unregisterModel(const std::string& identifier); /** * Add the supplied @p model to the manager, registering its ID and other * relevant data for later lookup. The manager assumes ownership of the * supplied object. * @return True on success, false on failure. */ bool addModel(EnergyCalculator* model); /** * Remove the model with the identifier @a identifier from the manager. * @return True on success, false on failure. */ bool removeModel(const std::string& identifier); /** * New instance of the model for the specified @p identifier. Ownership * is passed to the caller. * @param identifier The unique identifier of the model. * @return Instance of the model, nullptr if not found. Ownership passes to * the caller. */ EnergyCalculator* model(const std::string& identifier) const; /** * Get a list of all loaded identifiers */ std::set identifiers() const; /** * @brief Get a list of models that work for this molecule. * * This is probably the method you want to get a list for a user */ std::set identifiersForMolecule( const Core::Molecule& molecule) const; /** * @brief Get the name of the model for the specified identifier. * * The name is a user-visible string, and may be translated. * @param identifier The unique identifier of the model. * @return The name of the model, or an empty string if not found. */ std::string nameForModel(const std::string& identifier) const; /** * Get any errors that have been logged when loading models. */ std::string error() const; private: using ModelIdMap = std::map; EnergyManager(); ~EnergyManager(); EnergyManager(const EnergyManager&); // Not implemented. EnergyManager& operator=(const EnergyManager&); // Not implemented. /** * @brief Append warnings/errors to the error message string. * @param errorMessage The error message to append. */ void appendError(const std::string& errorMessage); std::vector m_models; mutable ModelIdMap m_identifiers; mutable std::map m_identifierToName; std::string m_error; }; } // namespace Calc } // namespace Avogadro #endif // AVOGADRO_CALC_ENERGYMANAGER_H avogadrolibs-1.100.0/avogadro/calc/lennardjones.cpp000066400000000000000000000121751474375334400222430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "lennardjones.h" #include #include #include namespace Avogadro::Calc { LennardJones::LennardJones() : m_vdw(true), m_depth(100.0), m_exponent(6), m_cell(nullptr), m_molecule(nullptr) { // defined for 1-118 for (unsigned int i = 1; i <= 118; ++i) { m_elements.set(i); } } void LennardJones::setMolecule(Core::Molecule* mol) { m_molecule = mol; if (mol == nullptr) { return; // nothing to do } m_mask = mol->frozenAtomMask(); m_cell = mol->unitCell(); // could be nullptr int numAtoms = mol->atomCount(); // track atomic radii for this molecule m_radii.setZero(); Eigen::MatrixXd radii(numAtoms, numAtoms); Eigen::MatrixXd mask(numAtoms * 3, 1); mask.setOnes(); m_mask = mask; for (Index i = 0; i < numAtoms; ++i) { Core::Atom atom1 = mol->atom(i); unsigned char number1 = atom1.atomicNumber(); double r1; if (m_vdw) r1 = Core::Elements::radiusVDW(number1); else r1 = Core::Elements::radiusCovalent(number1); for (Index j = i + 1; j < numAtoms; ++j) { Core::Atom atom2 = mol->atom(j); unsigned char number2 = atom2.atomicNumber(); double r2; if (m_vdw) r2 = Core::Elements::radiusVDW(number2); else r2 = Core::Elements::radiusCovalent(number2); radii(i, j) = r1 + r2; // expected distance } } m_radii = radii; } Real LennardJones::value(const Eigen::VectorXd& x) { if (!m_molecule) return 0.0; // FYI https://en.wikipedia.org/wiki/Lennard-Jones_potential //@todo handle unit cells and minimum distances int numAtoms = m_molecule->atomCount(); Real energy = 0.0; // we put the conditional here outside the double loop if (m_cell == nullptr) { // regular molecule for (Index i = 0; i < numAtoms; ++i) { Vector3 ipos(x[3 * i], x[3 * i + 1], x[3 * i + 2]); for (Index j = i + 1; j < numAtoms; ++j) { Vector3 jpos(x[3 * j], x[3 * j + 1], x[3 * j + 2]); Real r = (ipos - jpos).norm(); if (r < 0.1) r = 0.1; // ensure we don't divide by zero Real ratio = pow((m_radii(i, j) / r), m_exponent); energy += m_depth * (ratio * ratio - 2.0 * (ratio)); } } } else { // use the unit cell to get minimum distances for (Index i = 0; i < numAtoms; ++i) { Vector3 ipos(x[3 * i], x[3 * i + 1], x[3 * i + 2]); for (Index j = i + 1; j < numAtoms; ++j) { Vector3 jpos(x[3 * j], x[3 * j + 1], x[3 * j + 2]); Real r = m_cell->distance(ipos, jpos); if (r < 0.1) r = 0.1; // ensure we don't divide by zero Real ratio = pow((m_radii(i, j) / r), m_exponent); energy += m_depth * (ratio * ratio - 2.0 * (ratio)); } } } // qDebug() << " lj: " << energy; return energy; } void LennardJones::gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) { if (!m_molecule) return; // clear the gradients grad.setZero(); int numAtoms = m_molecule->atomCount(); // we put the conditional here outside the double loop if (m_cell == nullptr) { // regular molecule for (Index i = 0; i < numAtoms; ++i) { Vector3 ipos(x[3 * i], x[3 * i + 1], x[3 * i + 2]); for (Index j = i + 1; j < numAtoms; ++j) { Vector3 jpos(x[3 * j], x[3 * j + 1], x[3 * j + 2]); Vector3 force = ipos - jpos; Real r = force.norm(); if (r < 0.1) r = 0.1; // ensure we don't divide by zero Real rad = pow(m_radii(i, j), m_exponent); Real term1 = -2 * (m_exponent)*rad * rad * pow(r, -2 * m_exponent - 1); Real term2 = 2 * (m_exponent)*rad * pow(r, -1 * m_exponent - 1); Real dE = m_depth * (term1 + term2); force = (dE / r) * force; // update gradients for (unsigned int c = 0; c < 3; ++c) { grad[3 * i + c] += force[c]; grad[3 * j + c] -= force[c]; } } } } else { // unit cell for (Index i = 0; i < numAtoms; ++i) { Vector3 ipos(x[3 * i], x[3 * i + 1], x[3 * i + 2]); for (Index j = i + 1; j < numAtoms; ++j) { Vector3 jpos(x[3 * j], x[3 * j + 1], x[3 * j + 2]); Vector3 force = m_cell->minimumImage(ipos - jpos); Real r = force.norm(); if (r < 0.1) r = 0.1; // ensure we don't divide by zero Real rad = pow(m_radii(i, j), m_exponent); Real term1 = -2 * (m_exponent)*rad * rad * pow(r, -2 * m_exponent - 1); Real term2 = 2 * (m_exponent)*rad * pow(r, -1 * m_exponent - 1); Real dE = m_depth * (term1 + term2); force = (dE / r) * force; // update gradients for (unsigned int c = 0; c < 3; ++c) { grad[3 * i + c] += force[c]; grad[3 * j + c] -= force[c]; } } } } // handle any constraints cleanGradients(grad); } } // namespace Avogadro::Calc avogadrolibs-1.100.0/avogadro/calc/lennardjones.h000066400000000000000000000033101474375334400216770ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CALC_LENNARDJONES_H #define AVOGADRO_CALC_LENNARDJONES_H #include "avogadrocalcexport.h" #include namespace Avogadro { namespace Core { class Molecule; class UnitCell; } // namespace Core namespace Calc { class AVOGADROCALC_EXPORT LennardJones : public EnergyCalculator { public: LennardJones(); ~LennardJones() = default; LennardJones* newInstance() const override { return new LennardJones; } std::string identifier() const override { return "LJ"; } std::string name() const override { return "Lennard-Jones"; } std::string description() const override { return "Universal Lennard-Jones potential"; } bool acceptsIons() const override { return true; } bool acceptsRadicals() const override { return true; } bool acceptsUnitCell() const override { return true; } Core::Molecule::ElementMask elements() const override { return (m_elements); } Real value(const Eigen::VectorXd& x) override; void gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) override; /** * Called when the current molecule changes. */ void setMolecule(Core::Molecule* mol) override; protected: Core::Molecule* m_molecule; Core::UnitCell* m_cell; Eigen::MatrixXd m_radii; bool m_vdw; Real m_depth; int m_exponent; Core::Molecule::ElementMask m_elements; }; } // namespace Calc } // namespace Avogadro #endif // AVOGADRO_CALC_LENNARDJONES_H avogadrolibs-1.100.0/avogadro/calc/lennardjonesdata.h000066400000000000000000000250461474375334400225430ustar00rootroot00000000000000/***************************************************************************** # CDDL HEADER START # # The contents of this file are subject to the terms of the Common Development # and Distribution License Version 1.0 (the "License"). # # You can obtain a copy of the license at # http://www.opensource.org/licenses/CDDL-1.0. See the License for the # specific language governing permissions and limitations under the License. # # When distributing Covered Code, include this CDDL HEADER in each file and # include the License file in a prominent location with the name LICENSE.CDDL. # If applicable, add the following below this CDDL HEADER, with the fields # enclosed by brackets "[]" replaced with your own identifying information: # # Portions Copyright (c) [yyyy] [name of copyright owner]. All rights reserved. # # CDDL HEADER END # # # Copyright (c) 2015, Regents of the University of Minnesota. # All rights reserved. # # Contributors: # Ryan S. Elliott # Andrew Akerson # # * Sigma parameters are set to (2^{-1/6})*r_0, where r_0 is the atomic # covalent radius. Covalent radii for elements 1--96 were taken from Wolfram # Mathematica's `ElementData["CovalentRadius"]' command. Covalent radii for # elements 97--118 were taken from Fig. 3 of the article Pyykko, M. Atsumi, # J. Chem. Eur. J. 15 (2009) 12770. # # * Epsilon parameters are set to the bond dissociation energy. Bond # dissociation energies for elements 1--55, 57--60, and 61--84 were taken # from the CRC Handbook of Chemistry and Physics, 91st Edition, # Ed. W.H. Haynes, 2010. (as posted here: # http://staff.ustc.edu.cn/~luo971/2010-91-CRC-BDEs-Tables.pdf) # # The value (cohesive energy, in this case) for element 56 was obtained from # p. 50 in Charles Kittel. Introduction to Solid State Physics, 8th # edition. Hoboken, NJ: John Wiley & Sons, Inc, 2005. # # The bond dissociation energy value for element 61 was obtained from # "Interpolation scheme for the cohesive energies for the lanthanides and # actinides" Borje Johansson and Anders Rosengren, Phys. Rev. B 11, 1367 # (1975). # # The bond dissociation energies for elements 85--118 were not found in the # literature. Thus, the values used here are approximated by subtracting 10% # from the value for the element in the same Group (column) and previous # Period (row) of the periodic table. *****************************************************************************/ // Formatted as a C / C++ header for Avogadro // from OpenKIM LennardJones612_UniversalShifted.txt // https://doi.org/10.25950/962b4967 // This is a 'universal' parameterization for the LennardJones612 model driver // for all species types supported by the KIM API. The parameterization uses a // shifted cutoff so that all interactions have a continuous energy function at // the cutoff radius. // This model was automatically fit using Lorentz-Berthelot mixing rules. It // reproduces the dimer equilibrium separation (covalent radii) and the bond // dissociation energies. It has not been fitted to other physical properties // and its ability to model structures other than dimers is unknown. #ifndef AVOGADRO_CALC_LENNARDJONES_DATA #define AVOGADRO_CALC_LENNARDJONES_DATA // values are # cutoff # epsilon # sigma // cutoff and sigmas are in units of Angstroms // epsilon are in units of Electron Volts float ljparams[][3] = { { 4.0, 1.0, 1.0 }, // dummy { 2.2094300, 4.4778900, 0.5523570 }, // hydrogen { 1.9956100, 0.0009421, 0.4989030 }, { 9.1228000, 1.0496900, 2.2807000 }, { 6.8421000, 0.5729420, 1.7105300 }, { 6.0581100, 2.9670300, 1.5145300 }, { 5.4166600, 6.3695300, 1.3541700 }, { 5.0603000, 9.7537900, 1.2650800 }, { 4.7039500, 5.1264700, 1.1759900 }, { 4.0625000, 1.6059200, 1.0156200 }, { 4.1337700, 0.0036471, 1.0334400 }, { 11.8311000, 0.7367450, 2.9577800 }, { 10.0493000, 0.0785788, 2.5123300 }, { 8.6239000, 2.7006700, 2.1559700 }, { 7.9111800, 3.1743100, 1.9778000 }, { 7.6260900, 5.0305000, 1.9065200 }, { 7.4835500, 4.3692700, 1.8708900 }, { 7.2697300, 4.4832800, 1.8174300 }, { 7.5548200, 0.0123529, 1.8887100 }, { 14.4682000, 0.5517990, 3.6170500 }, { 12.5439000, 0.1326790, 3.1359600 }, { 12.1162000, 1.6508000, 3.0290600 }, { 11.4035000, 1.1802700, 2.8508800 }, { 10.9046000, 2.7524900, 2.7261500 }, { 9.9067900, 1.5367900, 2.4767000 }, { 9.9067900, 0.5998880, 2.4767000 }, { 9.4078900, 1.1844200, 2.3519700 }, { 8.9802600, 1.2776900, 2.2450600 }, { 8.8377200, 2.0757200, 2.2094300 }, { 9.4078900, 2.0446300, 2.3519700 }, { 8.6951700, 0.1915460, 2.1737900 }, { 8.6951700, 1.0642000, 2.1737900 }, { 8.5526300, 2.7017100, 2.1381600 }, { 8.4813600, 3.9599000, 2.1203400 }, { 8.5526300, 3.3867700, 2.1381600 }, { 8.5526300, 1.9706300, 2.1381600 }, { 8.2675400, 0.0173276, 2.0668900 }, { 15.6798000, 0.4682650, 3.9199500 }, { 13.8980000, 0.1339230, 3.4745100 }, { 13.5417000, 2.7597500, 3.3854200 }, { 12.4726000, 3.0520100, 3.1181500 }, { 11.6886000, 5.2782000, 2.9221500 }, { 10.9759000, 4.4749900, 2.7439700 }, { 10.4770000, 3.3815900, 2.6192400 }, { 10.4057000, 1.9617200, 2.6014200 }, { 10.1206000, 2.4058200, 2.5301500 }, { 9.9067900, 1.3709700, 2.4767000 }, { 10.3344000, 1.6497600, 2.5836100 }, { 10.2632000, 0.0377447, 2.5657900 }, { 10.1206000, 0.8113140, 2.5301500 }, { 9.9067900, 1.9005700, 2.4767000 }, { 9.9067900, 3.0882800, 2.4767000 }, { 9.8355200, 2.6312300, 2.4588800 }, { 9.9067900, 1.5393800, 2.4767000 }, { 9.9780700, 0.0238880, 2.4945200 }, { 17.3903000, 0.4166420, 4.3475900 }, { 15.3235000, 1.9000000, 3.8308600 }, { 14.7533000, 2.4996100, 3.6883200 }, { 14.5395000, 2.5700800, 3.6348700 }, { 14.4682000, 1.2994600, 3.6170500 }, { 14.3257000, 0.8196050, 3.5814100 }, { 14.1831000, 3.2413400, 3.5457800 }, { 14.1118000, 0.5211220, 3.5279600 }, { 14.1118000, 0.4299180, 3.5279600 }, { 13.9693000, 2.0995600, 3.4923200 }, { 13.8267000, 1.3999900, 3.4566900 }, { 13.6842000, 0.6900550, 3.4210500 }, { 13.6842000, 0.6900550, 3.4210500 }, { 13.4704000, 0.7387660, 3.3676000 }, { 13.5417000, 0.5211220, 3.3854200 }, { 13.3278000, 0.1303990, 3.3319600 }, { 13.3278000, 1.4331500, 3.3319600 }, { 12.4726000, 3.3608600, 3.1181500 }, { 12.1162000, 4.0034300, 3.0290600 }, { 11.5460000, 6.8638900, 2.8865100 }, { 10.7621000, 4.4387100, 2.6905100 }, { 10.2632000, 4.2625300, 2.5657900 }, { 10.0493000, 3.7028700, 2.5123300 }, { 9.6929800, 3.1401000, 2.4232400 }, { 9.6929800, 2.3058000, 2.4232400 }, { 9.4078900, 0.0454140, 2.3519700 }, { 10.3344000, 0.5770870, 2.5836100 }, { 10.4057000, 0.8589880, 2.6014200 }, { 10.5482000, 2.0798700, 2.6370600 }, { 9.9780700, 1.8995300, 2.4945200 }, { 10.6908000, 1.3854420, 2.6727000 }, { 10.6908000, 0.0214992, 2.6727000 }, { 18.5307000, 0.3749778, 4.6326700 }, { 15.7511000, 1.7100000, 3.9377700 }, { 15.3235000, 2.2496490, 3.8308600 }, { 14.6820000, 2.3130720, 3.6705000 }, { 14.2544000, 1.1695140, 3.5635900 }, { 13.9693000, 0.7376445, 3.4923200 }, { 13.5417000, 2.9172060, 3.3854200 }, { 13.3278000, 0.4690098, 3.3319600 }, { 12.8289000, 0.3869262, 3.2072400 }, { 12.0450000, 1.8896040, 3.0112400 }, { 11.9737000, 1.2599910, 2.9934200 }, { 11.9737000, 0.6210495, 2.9934200 }, { 11.7599000, 0.6210495, 2.9399700 }, { 11.9024000, 0.6648894, 2.9756000 }, { 12.3300000, 0.4690098, 3.0825100 }, { 12.5439000, 0.1173591, 3.1359600 }, { 11.4748000, 1.2898350, 2.8686900 }, { 11.1897000, 3.0247740, 2.7974200 }, { 10.6195000, 3.6030870, 2.6548800 }, { 10.1919000, 6.1775010, 2.5479700 }, { 10.0493000, 3.9948390, 2.5123300 }, { 9.5504300, 3.8362770, 2.3876100 }, { 9.1940700, 3.3325830, 2.2985200 }, { 9.1228000, 2.8260900, 2.2807000 }, { 8.6239000, 2.0752200, 2.1559700 }, { 8.6951700, 0.0408726, 2.1737900 }, { 9.6929800, 0.5193783, 2.4232400 }, { 10.1919000, 0.7730892, 2.5479700 }, { 11.5460000, 1.8718830, 2.8865100 }, { 12.4726000, 1.7095770, 3.1181500 }, { 11.7599000, 1.2468978, 2.9399700 }, { 11.1897000, 0.0193493, 2.7974200 } }; #endif // AVOGADRO_CALC_LENNARDJONES_DATA_Havogadrolibs-1.100.0/avogadro/command/000077500000000000000000000000001474375334400175635ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/command/CMakeLists.txt000066400000000000000000000004021474375334400223170ustar00rootroot00000000000000add_executable(avocjsontocml cjsontocml.cpp) target_link_libraries(avocjsontocml Avogadro::IO) add_executable(avobabel avobabel.cpp) target_link_libraries(avobabel Avogadro::IO) add_executable(qube qube.cpp) target_link_libraries(qube Avogadro::QuantumIO) avogadrolibs-1.100.0/avogadro/command/avobabel.cpp000066400000000000000000000053101474375334400220410ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include using Avogadro::Io::FileFormatManager; using Avogadro::Core::Molecule; using std::cin; using std::cout; using std::endl; using std::string; using std::ostringstream; void printHelp(); int main(int argc, char* argv[]) { // Process the command line arguments, see what has been requested. string inFormat; string outFormat; string inFile; string outFile; for (int i = 1; i < argc; ++i) { string current(argv[i]); if (current == "--help" || current == "-h") { printHelp(); return 0; } else if (current == "--version" || current == "-v") { cout << "Version: " << Avogadro::version() << endl; return 0; } else if (current == "-i" && i + 1 < argc) { inFormat = argv[++i]; cout << "input format " << inFormat << endl; } else if (current == "-o" && i + 1 < argc) { outFormat = argv[++i]; cout << "output format " << outFormat << endl; } else if (inFile.empty()) { inFile = argv[i]; } else if (outFile.empty()) { outFile = argv[i]; } } // Now read/write the molecule, if possible. Otherwise output errors. FileFormatManager& mgr = FileFormatManager::instance(); Molecule mol; if (!inFile.empty()) { if (!mgr.readFile(mol, inFile, inFormat)) { cout << "Failed to read " << inFile << " (" << inFormat << ")" << endl; return 1; } } else if (!inFormat.empty()) { ostringstream inFileString; string line; while (getline(cin, line)) inFileString << line; if (!inFileString.str().empty()) { if (!mgr.readString(mol, inFileString.str(), inFormat)) { cout << "Failed to read input stream: " << inFileString.str() << endl; return 1; } } } else { cout << "Error, no input file or stream supplied with format." << endl; } if (!outFile.empty()) { if (!mgr.writeFile(mol, outFile, outFormat)) { cout << "Failed to write " << outFile << " (" << outFormat << ")" << endl; return 1; } } else { if (outFormat.empty()) outFormat = "cjson"; string out; mgr.writeString(mol, out, outFormat); cout << out << endl; } return 0; } void printHelp() { cout << "Usage: avobabel [-i ] [-o ] " "\n" << endl; } avogadrolibs-1.100.0/avogadro/command/cjsontocml.cpp000066400000000000000000000015531474375334400224460ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "avogadro/core/molecule.h" #include "avogadro/io/fileformatmanager.h" #include #include #include using Avogadro::Io::FileFormatManager; using Avogadro::Core::Molecule; using std::cin; using std::cout; using std::string; using std::ostringstream; int main() { FileFormatManager& mgr = FileFormatManager::instance(); Molecule mol; ostringstream cjson; string line; while (getline(cin, line)) { cjson << line; } mgr.readString(mol, cjson.str(), "cjson"); string cml; mgr.writeString(mol, cml, "cml"); cout << cml; } avogadrolibs-1.100.0/avogadro/command/qube.cpp000066400000000000000000000120751474375334400212300ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::Core::Cube; using Avogadro::Core::GaussianSetTools; using Avogadro::Core::Molecule; using Avogadro::Io::FileFormatManager; using std::cin; using std::cout; using std::endl; using std::ostringstream; using std::string; using Eigen::Vector3d; using Eigen::Vector3i; static const double BOHR_TO_ANGSTROM = 0.529177249; static const double ANGSTROM_TO_BOHR = 1.0 / BOHR_TO_ANGSTROM; void printHelp(); int main(int argc, char* argv[]) { // Register our quantum file format. FileFormatManager& mgr = FileFormatManager::instance(); mgr.registerFormat(new Avogadro::QuantumIO::GAMESSUSOutput); mgr.registerFormat(new Avogadro::QuantumIO::GaussianFchk); mgr.registerFormat(new Avogadro::QuantumIO::MoldenFile); mgr.registerFormat(new Avogadro::QuantumIO::MopacAux); // Process the command line arguments, see what has been requested. string inFormat; int orbitalNumber = 0; string inFile; bool density = false; for (int i = 1; i < argc; ++i) { string current(argv[i]); if (current == "--help" || current == "-h") { printHelp(); return 0; } else if (current == "--version" || current == "-v") { cout << "Version: " << Avogadro::version() << endl; return 0; } else if (current == "-i" && i + 1 < argc) { inFormat = argv[++i]; cout << "input format " << inFormat << endl; } else if (current == "-orb" && i + 1 < argc) { orbitalNumber = atoi(argv[++i]); // cout << "plot orbital " << orbitalNumber << endl; } else if (current == "-dens" && i < argc) { density = true; } else if (inFile.empty()) { inFile = argv[i]; } } // Now read/write the molecule, if possible. Otherwise output errors. Molecule mol; if (!inFile.empty()) { if (!mgr.readFile(mol, inFile, inFormat)) { cout << "Failed to read " << inFile << " (" << inFormat << ")" << endl; return 1; } } else if (!inFormat.empty()) { ostringstream inFileString; string line; while (getline(cin, line)) inFileString << line; if (!inFileString.str().empty()) { if (!mgr.readString(mol, inFileString.str(), inFormat)) { cout << "Failed to read input stream: " << inFileString.str() << endl; return 1; } } } else { cout << "Error, no input file or stream supplied with format." << endl; } if ((orbitalNumber > 0) && density) { cout << "Error, choose either density or a single orbital, not both." << endl; return 1; } // cube header cout << "Avogadro generated cube" << endl; if (orbitalNumber > 0) cout << "Orbital " << orbitalNumber << endl; else cout << "Electron Density" << endl; // set box dimensions in Bohr Vector3d min = Vector3d(-10.0, -10.0, -10.0); Vector3d max = Vector3d(10.0, 10.0, 10.0); Vector3i points = Vector3i(61, 61, 61); Cube* m_qube = new Cube; m_qube->setLimits(min * BOHR_TO_ANGSTROM, max * BOHR_TO_ANGSTROM, points); min = m_qube->position(0) * ANGSTROM_TO_BOHR; Vector3d spacing = m_qube->spacing() * ANGSTROM_TO_BOHR; int nat = mol.atomCount(); printf("%4d %11.6f %11.6f %11.6f\n", nat, min.x(), min.y(), min.z()); printf("%4d %11.6f %11.6f %11.6f\n", points.x(), spacing.x(), 0.0, 0.0); printf("%4d %11.6f %11.6f %11.6f\n", points.y(), 0.0, spacing.y(), .0); printf("%4d %11.6f %11.6f %11.6f\n", points.z(), 0.0, 0.0, spacing.z()); // atoms for (int iatom = 0; iatom < nat; iatom++) { printf("%4d %11.6f %11.6f %11.6f %11.6f\n", mol.atomicNumber(iatom), 0.0, mol.atomPosition3d(iatom).x() * ANGSTROM_TO_BOHR, mol.atomPosition3d(iatom).y() * ANGSTROM_TO_BOHR, mol.atomPosition3d(iatom).z() * ANGSTROM_TO_BOHR); } if (orbitalNumber > 0) cout << "1 " << orbitalNumber << endl; auto* m_tools = new GaussianSetTools(&mol); // print the qube values int linecount = 0; for (unsigned int i = 0; i < m_qube->data()->size(); i++) { if (i % points.z() == 0 && i > 0) { linecount = 0; printf("\n"); } double value = m_tools->calculateMolecularOrbital(m_qube->position(i), orbitalNumber); printf("%13.5E", value); // line wrapping linecount++; if (linecount % 6 == 0 && i > 0) printf("\n"); else printf(" "); } printf("\n"); return 0; } void printHelp() { cout << "Usage: qube [-i ] [-dens] [-orb ] [-v / --version] \n" << endl; } avogadrolibs-1.100.0/avogadro/core/000077500000000000000000000000001474375334400170755ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/core/CMakeLists.txt000066400000000000000000000051331474375334400216370ustar00rootroot00000000000000find_package(Eigen3 REQUIRED) # configure the version header configure_file("${PROJECT_SOURCE_DIR}/cmake/version.h.in" "${CMAKE_CURRENT_BINARY_DIR}/version.h") # Separate out header only components into an interface library. add_library(Headers INTERFACE) add_library(Avogadro::Headers ALIAS Headers) target_include_directories(Headers INTERFACE "$") target_sources(Headers PUBLIC FILE_SET HEADERS BASE_DIRS ${PROJECT_SOURCE_DIR} FILES angletools.h angleiterator.h array.h avogadrocore.h color3f.h coordinateset.h matrix.h types.h utilities.h vector.h ) target_link_libraries(Headers INTERFACE Eigen3::Eigen) install(TARGETS Headers EXPORT "AvogadroLibsTargets" FILE_SET HEADERS DESTINATION "${INSTALL_INCLUDE_DIR}") # Now add the main core library for Avogadro. add_library(Core) avogadro_headers(Core atom.h atomtyper.h atomtyper-inline.h atomutilities.h basisset.h bond.h coordinateblockgenerator.h crystaltools.h cube.h dihedraliterator.h elements.h gaussianset.h gaussiansettools.h graph.h layer.h layermanager.h mesh.h molecule.h mutex.h nameatomtyper.h neighborperceiver.h residue.h ringperceiver.h secondarystructure.h slaterset.h slatersettools.h spacegroups.h symbolatomtyper.h unitcell.h variant.h variant-inline.h variantmap.h "${CMAKE_CURRENT_BINARY_DIR}/version.h" ) target_sources(Core PRIVATE angleiterator.cpp atomutilities.cpp coordinateblockgenerator.cpp crystaltools.cpp cube.cpp elements.cpp dihedraliterator.cpp gaussianset.cpp gaussiansettools.cpp graph.cpp layer.cpp layermanager.cpp mesh.cpp mdlvalence_p.h molecule.cpp mutex.cpp nameatomtyper.cpp neighborperceiver.cpp residue.cpp ringperceiver.cpp secondarystructure.cpp slaterset.cpp slatersettools.cpp spacegroups.cpp symbolatomtyper.cpp unitcell.cpp variantmap.cpp version.cpp ) # We currently build core without shared_mutex for Python wheels. if(NOT PYTHON_WHEEL_BUILD) avogadro_headers(Core sharedmutex.h) target_sources(Core PRIVATE sharedmutex.cpp) endif() if(USE_SPGLIB) find_package(Spglib REQUIRED) avogadro_headers(Core avospglib.h) target_sources(Core PRIVATE avospglib.cpp) target_link_libraries(Core PRIVATE Spglib::symspg) endif() # The std::shared_mutex class needs pthreads on Linux. if(UNIX AND NOT APPLE AND NOT PYTHON_WHEEL_BUILD) find_package(Threads) target_link_libraries(Core PRIVATE ${CMAKE_THREAD_LIBS_INIT}) endif() avogadro_add_library(Core) target_link_libraries(Core PUBLIC Avogadro::Headers) avogadrolibs-1.100.0/avogadro/core/angleiterator.cpp000066400000000000000000000042051474375334400224420ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "angleiterator.h" #include #include namespace Avogadro::Core { AngleIterator::AngleIterator(const Molecule* mol) : m_current(0, 0, 0), m_mol(mol) {} Angle AngleIterator::begin() { return ++(*this); } Angle AngleIterator::operator++() { if (m_mol == nullptr) return std::make_tuple(MaxIndex, MaxIndex, MaxIndex); Index a, b, c; std::tie(a, b, c) = m_current; Graph graph = m_mol->graph(); Index count = m_mol->atomCount(); // true if we have a valid current state // (i.e. false at the start since a == b == c) bool valid = (b != a); do { // vertex do { // find good edges if (valid) { // we have a valid current angle, try to find a new edge for (const auto maybeC : graph.neighbors(b)) { if (maybeC != a && maybeC > c) { m_current = std::make_tuple(a, b, maybeC); return m_current; } } // end "c" loop valid = false; // we couldn't find a "c", so find a new "a" } // end if() // can we find a new edge? for (const auto maybeA : graph.neighbors(b)) { if (maybeA > a && maybeA != c) { a = maybeA; c = a; valid = true; break; } } // end "a" loop // if we don't have a valid "a", move out to find a new "b" } while (valid); while(!valid && b + 1 < count) { ++b; // try going to the next atom const auto neighbors = graph.neighbors(b); if (neighbors.size() < 2) continue; a = neighbors[0]; c = neighbors[0]; // we'll move to the next one in the loop valid = true; } } while (valid && b < count); // can't find anything return std::make_tuple(MaxIndex, MaxIndex, MaxIndex); } // end ++ operator } // namespace Avogadro avogadrolibs-1.100.0/avogadro/core/angleiterator.h000066400000000000000000000021641474375334400221110ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_ANGLEITERATOR_H #define AVOGADRO_CORE_ANGLEITERATOR_H #include "avogadrocoreexport.h" #include "avogadrocore.h" #include namespace Avogadro::Core { class Molecule; using Angle = std::tuple; class AVOGADROCORE_EXPORT AngleIterator { public: /** * Constructor. */ AngleIterator(const Molecule *mol); ~AngleIterator() {} Angle* operator*() { return &m_current; } Angle begin(); Angle end() const { return std::make_tuple(Avogadro::MaxIndex, Avogadro::MaxIndex, Avogadro::MaxIndex); } Angle operator++(); bool operator!=(const AngleIterator& other ) { return m_current != other.m_current; } private: Angle m_current; const Molecule* m_mol; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_ANGLEITERATOR_H avogadrolibs-1.100.0/avogadro/core/angletools.h000066400000000000000000000041031474375334400214130ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_ANGLETOOLS_H #define AVOGADRO_CORE_ANGLETOOLS_H #include #include namespace Avogadro { inline Real bondAngle(const Vector3& b0, const Vector3& b1) { // standard formula, e.g. // https://scicomp.stackexchange.com/q/27689/14517 // Since we're using bonds, v. small angles are okay // only problem is if bond lengths are v. v. small // but that's unlikely in practice const Real dot = -1.0 * b0.dot(b1); const Real norms = b0.norm() * b1.norm(); return std::acos(dot / norms) * RAD_TO_DEG_D; } inline Real dihedralAngle(const Vector3& b0, const Vector3& b1, const Vector3& b2) { // See Praxeolitic https://stackoverflow.com/a/34245697/131896 const Vector3 n0 = -1.0 * b0; const Vector3 b1n = b1.normalized(); // v = projection of b0 onto plane perpendicular to b1 // = n0 minus component that aligns with b1 // w = projection of b2 onto plane perpendicular to b1 // = b2 minus component that aligns with b1 const Vector3 v = n0 - n0.dot(b1n) * b1n; const Vector3 w = b2 - b2.dot(b1n) * b1n; // angle between v and w in a plane is the torsion angle // v and w may not be normalized but that's fine since tan is y/x const Real x(v.dot(w)); const Real y(b1n.cross(v).dot(w)); return std::atan2(y, x) * RAD_TO_DEG_D; } inline Real calcAngle(const Vector3& v1, const Vector3& v2, const Vector3& v3) { Vector3 v12 = v1 - v2; Vector3 v23 = v2 - v3; return bondAngle(v12, v23); } inline Real calcDihedral(const Vector3& v1, const Vector3& v2, const Vector3& v3, const Vector3& v4) { Vector3 v12 = v2 - v1; Vector3 v23 = v3 - v2; Vector3 v34 = v4 - v3; return dihedralAngle(v12, v23, v34); } } // namespace Avogadro #endif // AVOGADRO_CORE_ANGLETOOLS_H avogadrolibs-1.100.0/avogadro/core/array.h000066400000000000000000000231011474375334400203610ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_ARRAY_H #define AVOGADRO_CORE_ARRAY_H #include "avogadrocore.h" #include #include namespace Avogadro::Core { using std::size_t; namespace internal { template class ArrayRefContainer { public: using ValueType = T; using Parent = std::vector; // The parent container for iterators etc // STL compatibility, forward typedefs from std::vector: using value_type = typename Parent::value_type; using allocator_type = typename Parent::allocator_type; using reference = typename Parent::reference; using const_reference = typename Parent::const_reference; using pointer = typename Parent::pointer; using const_pointer = typename Parent::const_pointer; using iterator = typename Parent::iterator; using const_iterator = typename Parent::const_iterator; using reverse_iterator = typename Parent::reverse_iterator; using const_reverse_iterator = typename Parent::const_reverse_iterator; using difference_type = typename Parent::difference_type; using size_type = typename Parent::size_type; ArrayRefContainer() : m_ref(1), data() {} explicit ArrayRefContainer(const size_t n, const ValueType& value = ValueType()) : m_ref(1), data(n, value) {} ArrayRefContainer(const ArrayRefContainer& other) : m_ref(1), data(other.data) {} template ArrayRefContainer(InputIterator first, InputIterator last) : m_ref(1), data(first, last) {} // Increment the reference count. void reref() { ++m_ref; } // Decrement the reference count, return true unless the reference count has // dropped to zero. When it returns false, this object should be deleted. bool deref() { if (m_ref) --m_ref; return m_ref > 0; } unsigned int ref() const { return m_ref; } // Reference count unsigned int m_ref; // Container for our data std::vector data; }; } // namespace internal /** * @class Array array.h * @brief Base class for array containers. * * This templated class gives us a container with copy-on-write semantics, * allowing for functions to effectively share data without exposing access or * copying large amounts of data until the container is changed. * * All const functions can be called without copying any data, but a call to a * non-const function will trigger a detach call. This is a no-op when the * reference count is 1, and will perform a deep copy when the reference count * is greater than 1. */ template class Array { public: using Container = internal::ArrayRefContainer; using ValueType = T; /** Typedefs for STL compatibility @{ */ using value_type = typename Container::value_type; using allocator_type = typename Container::allocator_type; using reference = typename Container::reference; using const_reference = typename Container::const_reference; using pointer = typename Container::pointer; using const_pointer = typename Container::const_pointer; using iterator = typename Container::iterator; using const_iterator = typename Container::const_iterator; using reverse_iterator = typename Container::reverse_iterator; using const_reverse_iterator = typename Container::const_reverse_iterator; using difference_type = typename Container::difference_type; using size_type = typename Container::size_type; /** @} */ /** Constructors for new containers. */ Array() : d(new Container()) {} explicit Array(const size_t n, const ValueType& value = ValueType()) : d(new Container(n, value)) {} template Array(InputIterator first, InputIterator last) : d(new Container(first, last)) {} /** Copy constructor, note the copy made of the internal data of other. */ Array(const Array& other) { other.d->reref(); d = other.d; } ~Array(); /** * Explicitly detach from any other implicitly shared containers. This is not * normally necessary, but can be useful when you want to ensure you have a * copy of all data. */ void detachWithCopy(); /** * Explicitly detach from any other implicitly shared containers. This * version does not copy the data. */ void detach(); /** Retrieve a pointer to the underlying data. */ T* data() { detachWithCopy(); return d->data.data(); } const T* data() const { return d->data.data(); } const T* constData() const { return d->data.data(); } size_t size() const { return d->data.size(); } size_t max_size() const { return d->data.max_size(); } bool empty() const { return d->data.empty(); } size_t capacity() const { return d->data.capacity(); } void reserve(const size_t& sz) { detachWithCopy(); d->data.reserve(sz); } void resize(const size_t& sz, const ValueType& t = ValueType()) { detachWithCopy(); d->data.resize(sz, t); } void clear() { detach(); d->data.clear(); } const_iterator begin() const { return d->data.begin(); } const_iterator end() const { return d->data.end(); } iterator begin() { detachWithCopy(); return d->data.begin(); } iterator end() { detachWithCopy(); return d->data.end(); } const_reverse_iterator rbegin() const { return d->data.rbegin(); } const_reverse_iterator rend() const { return d->data.rend(); } reverse_iterator rbegin() { detachWithCopy(); return d->data.rbegin(); } reverse_iterator rend() { detachWithCopy(); return d->data.rend(); } reference front() { detachWithCopy(); return d->data.front(); } const_reference front() const { return d->data.front(); } reference back() { detachWithCopy(); return d->data.back(); } const_reference back() const { return d->data.back(); } template void assign(InputIterator first, InputIterator last) { detachWithCopy(); d->data.assign(first, last); } void assign(size_type n, const value_type& val) { detachWithCopy(); d->data.assign(n, val); } void push_back(const ValueType& v) { detachWithCopy(); d->data.push_back(v); } void pop_back() { detachWithCopy(); d->data.pop_back(); } iterator insert(iterator position, const value_type& val) { detachWithCopy(); return d->data.insert(position, val); } void insert(iterator position, size_type n, const value_type& val) { detachWithCopy(); d->data.insert(position, n, val); } template void insert(iterator position, InputIterator first, InputIterator last) { detachWithCopy(); d->data.insert(position, first, last); } iterator erase(iterator position) { detachWithCopy(); return d->data.erase(position); } iterator erase(iterator first, iterator last) { detachWithCopy(); return d->data.erase(first, last); } const ValueType& operator[](const std::size_t& idx) const { return d->data[idx]; } ValueType& operator[](const std::size_t& idx) { detachWithCopy(); return d->data[idx]; } ValueType at(const std::size_t& idx) const { return d->data.at(idx); } template Array& operator=(const std::vector& v) { detach(); d->data = v; return *this; } template Array& operator=(const Array& v) { detach(); d->data = v.d->data; return *this; } Array& operator=(const Array& v) { if (this != &v) { detach(); d->data = v.d->data; } return *this; } void swap(Array& other) { using std::swap; swap(d, other.d); } /** * @param index array position to delete * if the index is valid swap it with the last position and pop back. * This function does not preserve the elements order. */ void swapAndPop(Index index) { if (index >= d->data.size()) { return; } if (index != d->data.size() - 1) { d->data[index] = d->data.back(); } d->data.pop_back(); } protected: Container* d; }; template inline Array::~Array() { if (d && !d->deref()) delete d; } template inline void Array::detachWithCopy() { if (d && d->ref() != 1) { auto* o = new Container(*d); d->deref(); d = o; } } template inline void Array::detach() { if (d && d->ref() != 1) { d->deref(); d = new Container; } } template inline bool operator==(const Array& lhs, const Array& rhs) { return lhs.size() == rhs.size() && std::equal(lhs.begin(), lhs.end(), rhs.begin()); } template inline bool operator!=(const Array& lhs, const Array& rhs) { return !(lhs == rhs); } template inline bool operator<(const Array& lhs, const Array& rhs) { return std::lexicographical_compare(lhs.begin(), lhs.end(), rhs.begin(), rhs.end()); } template inline bool operator>(const Array& lhs, const Array& rhs) { return rhs < lhs; } template inline bool operator<=(const Array& lhs, const Array& rhs) { return !(rhs < lhs); } template inline bool operator>=(const Array& lhs, const Array& rhs) { return !(lhs < rhs); } template inline void swap(Array& lhs, Array& rhs) { lhs.swap(rhs); } } // namespace Avogadro::Core #endif // AVOGADRO_CORE_ARRAY_H avogadrolibs-1.100.0/avogadro/core/atom.h000066400000000000000000000215671474375334400202210ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_ATOM_H #define AVOGADRO_CORE_ATOM_H #include "avogadrocore.h" #include "vector.h" namespace Avogadro::Core { enum AtomHybridization { PerceivedOctaheadral = -6, PerceivedTrigonalBipyramidal = -5, PerceivedSquarePlanar = -4, PerceivedSP3 = -3, PerceivedSP2 = -2, PerceivedSP = -1, HybridizationUnknown = 0, SP = 1, SP2 = 2, SP3 = 3, SquarePlanar = 4, TrigonalBipyramidal = 5, Octahedral = 6 }; enum AtomicNumber : unsigned char { Hydrogen = 1, Carbon = 6, Nitrogen = 7, Oxygen = 8 }; /** * @class Atom atom.h * The atom class represents an atom in a molecule. * To use the appropriate atom implementation for a specific molecule * implementation, use the [MoleculeClass]::AtomType typedef. */ template class AtomTemplate { public: using MoleculeType = Molecule_T; /** Creates a new, invalid atom object. */ AtomTemplate(); /** * Creates a new atom object representing the atom at index @p i in molecule * @p m. */ AtomTemplate(MoleculeType* m, Index i); /** * @return True if @a this and @a other share the same index and molecule. */ bool operator==(const AtomTemplate& other) const; /** * @return True if @a this and @a other do not share the same index or * molecule. */ bool operator!=(const AtomTemplate& other) const; /** * Prefix increment operator. Increment this Atom's index by 1 and return a * self-reference. Check isValid() before calling any other methods. */ AtomTemplate& operator++(); /** * Postfix increment operator. Increment this Atom's index by 1 and return a * copy of the current Atom. Check isValid() before calling any other methods. */ AtomTemplate operator++(int); /** * Prefix decrement operator. Decrement this Atom's index by 1 and return a * self-reference. Check isValid() before calling any other methods. */ AtomTemplate& operator--(); /** * Postfix decrement operator. Decrement this Atom's index by 1 and return a * copy of the current Atom. Check isValid() before calling any other methods. */ AtomTemplate operator--(int); /** * @return True if the molecule is set and the index is less than the number * of atoms. */ bool isValid() const; /** * @return The molecule that contains this Atom. */ MoleculeType* molecule() const; /** * @return The index of this atom in molecule(). */ Index index() const; /** * The proton count of the atom. * @{ */ void setAtomicNumber(unsigned char num); unsigned char atomicNumber() const; /** @} */ /** * The 2D position of this atom. * @note Not all molecule types support 2D positions. If the current * MoleculeType class does not, calling this method will result in a * compilation error. * @{ */ void setPosition2d(const Vector2& pos); Vector2 position2d() const; /** @} */ /** * The 3D position of this atom. * @{ */ void setPosition3d(const Vector3& pos); Vector3 position3d() const; /** @} */ /** * The hybridization / coordination of this atom * @{ */ void setHybridization(AtomHybridization hyb); AtomHybridization hybridization() const; /** @} */ /** * The formal charge of this atom * @{ */ void setFormalCharge(signed char charge); signed char formalCharge() const; /** @} */ /** * The color of this atom * @{ */ void setColor(Vector3ub color); Vector3ub color() const; /** @} */ /** * The layer of this atom * @{ */ void setLayer(size_t layer); size_t layer() const; /** @} */ /** * Is the atom selected. * {@ */ void setSelected(bool selected); bool selected() const; /** @} */ /** * The force on this atom. * {@ */ void setForceVector(const Vector3& force); Vector3 forceVector() const; void setLabel(const std::string& label); std::string label() const; /** @} */ private: MoleculeType* m_molecule; Index m_index; }; template AtomTemplate::AtomTemplate() : m_molecule(nullptr), m_index(MaxIndex) {} template AtomTemplate::AtomTemplate(MoleculeType* m, Index i) : m_molecule(m), m_index(i) {} template bool AtomTemplate::operator==( const AtomTemplate& other) const { return m_molecule == other.m_molecule && m_index == other.m_index; } template bool AtomTemplate::operator!=( const AtomTemplate& other) const { return m_molecule != other.m_molecule || m_index != other.m_index; } template AtomTemplate& AtomTemplate::operator++() { ++m_index; return *this; } template AtomTemplate AtomTemplate::operator++(int) { AtomTemplate result(m_molecule, m_index++); return result; } template AtomTemplate& AtomTemplate::operator--() { --m_index; return *this; } template AtomTemplate AtomTemplate::operator--(int) { AtomTemplate result(m_molecule, m_index--); return result; } template bool AtomTemplate::isValid() const { return m_molecule && m_index < m_molecule->atomCount(); } template typename AtomTemplate::MoleculeType* AtomTemplate::molecule() const { return m_molecule; } template Index AtomTemplate::index() const { return m_index; } template void AtomTemplate::setAtomicNumber(unsigned char num) { m_molecule->setAtomicNumber(m_index, num); } template unsigned char AtomTemplate::atomicNumber() const { return m_molecule->atomicNumber(m_index); } template void AtomTemplate::setPosition2d(const Vector2& pos) { m_molecule->setAtomPosition2d(m_index, pos); } template Vector2 AtomTemplate::position2d() const { return m_molecule->atomPositions2d().size() > 0 ? m_molecule->atomPositions2d()[m_index] : Vector2::Zero(); } template void AtomTemplate::setPosition3d(const Vector3& pos) { m_molecule->setAtomPosition3d(m_index, pos); } template Vector3 AtomTemplate::position3d() const { return m_molecule->atomPositions3d().size() > 0 ? m_molecule->atomPositions3d()[m_index] : Vector3::Zero(); } template void AtomTemplate::setHybridization(AtomHybridization hyb) { m_molecule->setHybridization(m_index, hyb); } template AtomHybridization AtomTemplate::hybridization() const { return m_molecule->hybridization(m_index); } template void AtomTemplate::setFormalCharge(signed char charge) { m_molecule->setFormalCharge(m_index, charge); } template signed char AtomTemplate::formalCharge() const { return m_molecule->formalCharge(m_index); } template void AtomTemplate::setColor(Vector3ub color) { m_molecule->setColor(m_index, std::move(color)); } template Vector3ub AtomTemplate::color() const { return m_molecule->color(m_index); } template void AtomTemplate::setLayer(size_t layer) { m_molecule->setLayer(m_index, layer); } template size_t AtomTemplate::layer() const { return m_molecule->layer(m_index); } template void AtomTemplate::setSelected(bool selected) { m_molecule->setAtomSelected(m_index, selected); } template bool AtomTemplate::selected() const { return m_molecule->atomSelected(m_index); } template void AtomTemplate::setForceVector(const Vector3& force) { m_molecule->setForceVector(m_index, force); } template Vector3 AtomTemplate::forceVector() const { return m_molecule->forceVectors().size() > 0 ? m_molecule->forceVectors()[m_index] : Vector3::Zero(); } template void AtomTemplate::setLabel(const std::string& label) { m_molecule->setAtomLabel(m_index, label); } template std::string AtomTemplate::label() const { return m_molecule->atomLabel(m_index); } } // namespace Avogadro::Core #endif // AVOGADRO_CORE_ATOM_H avogadrolibs-1.100.0/avogadro/core/atomtyper-inline.h000066400000000000000000000035751474375334400225600ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_ATOMTYPER_INLINE_H #define AVOGADRO_CORE_ATOMTYPER_INLINE_H #include "atomtyper.h" #include "atom.h" #include "molecule.h" namespace Avogadro::Core { template AtomTyper::AtomTyper(const Molecule* mol) : m_molecule(mol) { } template AtomTyper::~AtomTyper() { } template void AtomTyper::setMolecule(const Molecule* mol) { if (m_molecule != mol) { m_molecule = mol; reset(); } } template void AtomTyper::run() { initialize(); Index numAtoms = m_molecule ? m_molecule->atomCount() : 0; for (Index atomId = 0; atomId < numAtoms; ++atomId) { Atom atom = m_molecule->atom(atomId); m_types.push_back(type(atom)); } } template OutputType AtomTyper::atomType(const Atom& atom) { OutputType result; if (atom.isValid() && atom.molecule() == m_molecule) { // Return the calculated value if we've already run the typer. if (atom.index() < m_types.size()) { result = m_types[atom.index()]; } else { initialize(); result = type(atom); } } return result; } template Array AtomTyper::types() const { return m_types; } template void AtomTyper::reset() { m_types.clear(); } template void AtomTyper::initialize() { m_types.reserve(m_molecule ? m_molecule->atomCount() : 0); } } // namespace Avogadro::Core #endif // AVOGADRO_CORE_ATOMTYPER_INLINE_H avogadrolibs-1.100.0/avogadro/core/atomtyper.h000066400000000000000000000045301474375334400212740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_ATOMTYPER_H #define AVOGADRO_CORE_ATOMTYPER_H #include namespace Avogadro::Core { class Atom; class Molecule; /** * @class AtomTyper atomtyper.h * @brief The AtomTyper class provides a base interface for generating a list of * type identifiers describing the atoms in a molecule. */ template class AtomTyper { public: using ValueType = OutputType; explicit AtomTyper(const Molecule* mol = nullptr); virtual ~AtomTyper(); /** * @param mol The molecule with atoms to type. */ void setMolecule(const Molecule* mol); /** * Iterate through the molecule and generate type descriptions for each atom. * The results can be obtained by calling types(). */ virtual void run(); /** * Perform a type lookup on the specified atom. If run() has been called * previously, a cached result is returned. * @return The type of @a atom. */ virtual OutputType atomType(const Atom& atom); /** * @return An Array of OutputType objects. There will be one object for each * atom of the input Molecule, and they are ordered by the corresponding * atom's index. */ Array types() const; /** * Reset the typer's internal state. This is called when the molecule is * changed. The base implementation clears the m_types Array. */ virtual void reset(); protected: /** * Perform any setup needed that needs to be done prior to calling type(). The * base implementation of this function reserves enough room in the m_types * Array for the current Molecule. */ virtual void initialize(); /** * Determines the type of the atom. * @param atom The atom to type. * @return The type of @a atom. */ virtual OutputType type(const Atom& atom) = 0; /** The molecule on which to operate. */ const Molecule* m_molecule; /** The array of types to be populated. */ Array m_types; }; } // namespace Avogadro::Core #include #endif // AVOGADRO_CORE_ATOMTYPER_H avogadrolibs-1.100.0/avogadro/core/atomutilities.cpp000066400000000000000000000163271474375334400225060ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "atomutilities.h" #include #include constexpr double M_TETRAHED = 109.47122063449069389; namespace Avogadro::Core { using NeighborListType = Array; inline unsigned int countExistingBonds(const NeighborListType& bonds) { unsigned int result(0); for (auto bond : bonds) { result += static_cast(bond.order()); } return result; } AtomHybridization AtomUtilities::perceiveHybridization(const Atom& atom) { const NeighborListType bonds(atom.molecule()->bonds(atom)); const unsigned int numberOfBonds(countExistingBonds(bonds)); // bond order sum AtomHybridization hybridization = SP3; // default to sp3 // TODO: Handle hypervalent species, SO3, SO4, lone pairs, etc. if (numberOfBonds > 4) { // hybridization = numberOfBonds; // e.g., octahedral, trig. bipyr., // etc. } else { // Count multiple bonds unsigned int numTripleBonds = 0; unsigned int numDoubleBonds = 0; for (auto bond : bonds) { if (bond.order() == 2) numDoubleBonds++; else if (bond.order() == 3) numTripleBonds++; } if (numTripleBonds > 0 || numDoubleBonds > 1) hybridization = SP; // sp else if (numDoubleBonds > 0) hybridization = SP2; // sp2 // special case for nitrogen in an amide if (atom.atomicNumber() == 7 && hybridization == SP3) { // look through the neighbors for a C=O for (auto bond : bonds) { Atom a1 = bond.getOtherAtom(atom); if (a1.atomicNumber() == 6 && bond.order() == 1) { const NeighborListType nbrBonds(atom.molecule()->bonds(a1)); for (auto nbrBond : nbrBonds) { Atom a2 = nbrBond.getOtherAtom(a1); if (a2.index() == atom.index()) continue; // we want a *new* atom, not the nitrogen if (a2.atomicNumber() == 8 && nbrBond.order() == 2) { hybridization = SP2; break; } } } } } } return hybridization; } // Generate bond geometries // First, the default fallback (random vectors) // Also applies when you have a linear geometry and just need one new vector // (it doesn't matter where it goes). Vector3 AtomUtilities::generateNewBondVector( const Atom& atom, const std::vector& allVectors, AtomHybridization hybridization) { Vector3 newPos; bool success = false; int currentValence = static_cast(allVectors.size()); // No bonded atoms, just pick a random vector if (currentValence == 0) { newPos = Vector3::Random().normalized(); return newPos; } else if (currentValence == 1) { // One bonded atom const Vector3& bond1 = allVectors[0]; // Check what's attached to our neighbor -- we want to set trans to the // neighbor Vector3 bond2(0.0, 0.0, 0.0); const NeighborListType bonds(atom.molecule()->bonds(atom)); for (auto bond : bonds) { Atom a1 = bond.getOtherAtom(atom); const NeighborListType nbrBonds(atom.molecule()->bonds(a1)); for (auto nbrBond : nbrBonds) { Atom a2 = nbrBond.getOtherAtom(a1); if (a2.index() == atom.index()) continue; // we want a *new* atom Vector3 delta = a2.position3d() - a1.position3d(); if (!delta.isZero(1e-5)) bond2 = delta.normalized(); // Check for carboxylate (CO2) if ((atom.atomicNumber() == 8) // atom for H is O && (a1.atomicNumber() == 6) // central atom is C && (nbrBond.order() == 2) && (a2.atomicNumber() == 8)) break; // make sure the H will be trans to the C=O } } Vector3 v1, v2; v1 = bond1.cross(bond2); if (bond2.norm() < 1.0e-5 || v1.norm() < 1.0e-5) { // std::cout << " creating a random paired atom " << std::endl; v2 = Vector3::Random().normalized(); double angle = fabs(acos(bond1.dot(v2))); while (angle < 45.0 * DEG_TO_RAD || angle > 135.0 * DEG_TO_RAD) { v2 = Vector3::Random().normalized(); angle = fabs(acos(bond1.dot(v2))); // std::cout << "angle = " << angle*RAD_TO_DEG << std::endl; } v1 = bond1.cross(v2); // so find a perpendicular, given the random vector v2 = bond1.cross(v1); } else { // std::cout << " found a neighbor for trans " << std::endl; v1 = bond1.cross(bond2); v2 = -1.0 * bond1.cross(v1); } v2.normalize(); switch (hybridization) { case SP: case SquarePlanar: case TrigonalBipyramidal: newPos = bond1; // 180 degrees away from the current neighbor break; case SP2: // sp2 newPos = bond1 - v2 * tan(DEG_TO_RAD * 120.0); break; case Octahedral: // octahedral newPos = bond1 - v2 * tan(DEG_TO_RAD * 90.0); break; case SP3: default: newPos = (bond1 - v2 * tan(DEG_TO_RAD * M_TETRAHED)); break; } // std::cout << " one bond " << newPos.normalized() << std::endl; return -1.0 * newPos.normalized(); } // end one bond else if (currentValence == 2) { const Vector3& bond1 = allVectors[0]; const Vector3& bond2 = allVectors[1]; Vector3 v1 = bond1 + bond2; v1.normalize(); switch (hybridization) { case SP: // shouldn't happen, but maybe with metal atoms? case SP2: newPos = v1; // point away from the two existing bonds break; case SP3: default: Vector3 v2 = bond1.cross(bond2); // find the perpendicular v2.normalize(); // newPos = bond1 - v2 * tan(DEG_TO_RAD * (M_TETRAHED)); newPos = v2 + v1 * (sqrt(2.0) / 2.0); } // std::cout << " two bonds " << newPos.normalized() << std::endl; return -1.0 * newPos.normalized(); } // end two bonds else if (currentValence == 3) { const Vector3& bond1 = allVectors[0]; const Vector3& bond2 = allVectors[1]; const Vector3& bond3 = allVectors[2]; // need to handle different hybridizations here // since the base of the tetrahedron should be symmetric // the sum of the three bond vectors should cancel the angular parts // and point in the new direction.. just need to normalize and rescale newPos = -1.0 * (bond1 + bond2 + bond3); // std::cout << " three bonds " << newPos.normalized() << std::endl; return newPos.normalized(); } // Fallback: // Try 10 times to generate a random vector that doesn't overlap with // an existing bond. If we can't, just give up and let the overlap occur. // Tolerance for two vectors being "too close" in radians (pi/8). const Avogadro::Real cosRadTol = cos(static_cast(M_PI) / static_cast(8.)); for (int attempt = 0; !success && attempt < 10; ++attempt) { newPos = Vector3::Random().normalized(); success = true; for (auto it = allVectors.begin(), itEnd = allVectors.end(); success && it != itEnd; ++it) { success = newPos.dot(*it) < cosRadTol; } } return newPos; } } // namespace Avogadro::Core avogadrolibs-1.100.0/avogadro/core/atomutilities.h000066400000000000000000000023411474375334400221420ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_ATOMUTILITIES_H #define AVOGADRO_QTGUI_ATOMUTILITIES_H #include "avogadrocoreexport.h" #include #include namespace Avogadro::Core { class Atom; class Molecule; class AVOGADROCORE_EXPORT AtomUtilities { public: /** * Perceive the geometry / hybridization bonded to @a atom. * Ideally, the client should cache the hybridization number * by calling setHybridization() later */ static AtomHybridization perceiveHybridization(const Atom& atom); /** * Generate a new bond vector (unit length) */ static Vector3 generateNewBondVector(const Atom& atom, const std::vector& currentVectors, AtomHybridization hybridization); private: AtomUtilities(); // Not implemented ~AtomUtilities(); // Not implemented }; } // namespace Avogadro::Core #endif // AVOGADRO_QTGUI_ATOMUTILITIES_H avogadrolibs-1.100.0/avogadro/core/avogadrocore.h000066400000000000000000000057571474375334400217370ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_H #define AVOGADRO_CORE_H #include #include /** Prevent compiler error when using std::numeric_limits::max() */ #if defined(_MSC_VER) && defined(max) #undef max #endif /** * This macro marks a parameter as unused. Its purpose is to disable the * compiler from emitting unused parameter warnings. */ #define AVO_UNUSED(variable) (void)variable /** * This macro marks a class as not copyable. It should be used in the private * section of a class's declaration. */ #define AVO_DISABLE_COPY(Class) \ Class(const Class&); \ Class& operator=(const Class&); namespace Avogadro { /** Typedef for a real number. */ using Real = double; /** Typedef for indices and sizes. */ using Index = size_t; inline constexpr Index MaxIndex = std::numeric_limits::max(); /** Used to represent an invalid atomic number. */ constexpr unsigned char InvalidElement = 255; /** * Minimum value for atomic numbers that represent custom, non-elemental * particles. */ constexpr unsigned char CustomElementMin = 128; /** * Maximum value for atomic numbers that represent custom, non-elemental * particles. */ constexpr unsigned char CustomElementMax = 254; /** * Count of atomic number values that are used to represent custom, * non-elemental particles. */ inline constexpr unsigned char CustomElementCount = CustomElementMax - CustomElementMin + 1; /** * @return True if @a atomicNumber denotes a custom element type. */ namespace Core { inline constexpr bool isCustomElement(unsigned char atomicNumber) { return atomicNumber >= CustomElementMin && atomicNumber <= CustomElementMax; } } /** Unit conversion factors. @{ */ constexpr double PI_D = 3.141592653589793238462643; constexpr float PI_F = static_cast(PI_D); constexpr Real PI = static_cast(PI_D); constexpr double DEG_TO_RAD_D = PI_D / 180.0; constexpr float DEG_TO_RAD_F = static_cast(DEG_TO_RAD_D); constexpr Real DEG_TO_RAD = static_cast(DEG_TO_RAD_D); constexpr double RAD_TO_DEG_D = 180.0 / PI_D; constexpr float RAD_TO_DEG_F = static_cast(RAD_TO_DEG_D); constexpr Real RAD_TO_DEG = static_cast(RAD_TO_DEG_D); constexpr double BOHR_TO_ANGSTROM_D = 0.52917721092; constexpr float BOHR_TO_ANGSTROM_F = static_cast(BOHR_TO_ANGSTROM_D); constexpr Real BOHR_TO_ANGSTROM = static_cast(BOHR_TO_ANGSTROM_D); constexpr double ANGSTROM_TO_BOHR_D = 1.0 / BOHR_TO_ANGSTROM_D; constexpr float ANGSTROM_TO_BOHR_F = static_cast(ANGSTROM_TO_BOHR_D); constexpr Real ANGSTROM_TO_BOHR = static_cast(ANGSTROM_TO_BOHR_D); /** @} */ } // end Avogadro namespace #endif // AVOGADRO_CORE_H avogadrolibs-1.100.0/avogadro/core/avospglib.cpp000066400000000000000000000111601474375334400215660ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "avospglib.h" #include "array.h" #include "matrix.h" #include "molecule.h" #include "unitcell.h" #include "vector.h" #include extern "C" { #include "spglib.h" } namespace Avogadro::Core { unsigned short AvoSpglib::getHallNumber(Molecule& mol, double cartTol) { if (!mol.unitCell()) return 0; const UnitCell* uc = mol.unitCell(); Matrix3 cellMat = uc->cellMatrix(); double lattice[3][3]; // Spglib expects column vectors for (Index i = 0; i < 3; ++i) { for (Index j = 0; j < 3; ++j) { lattice[i][j] = cellMat(i, j); } } Index numAtoms = mol.atomCount(); auto* positions = new double[numAtoms][3]; int* types = new int[numAtoms]; const Array& atomicNums = mol.atomicNumbers(); const Array& pos = mol.atomPositions3d(); // Positions need to be in fractional coordinates for (Index i = 0; i < numAtoms; ++i) { Vector3 fracCoords = uc->toFractional(pos[i]); positions[i][0] = fracCoords[0]; positions[i][1] = fracCoords[1]; positions[i][2] = fracCoords[2]; types[i] = atomicNums[i]; } SpglibDataset* data = spg_get_dataset(lattice, positions, types, numAtoms, cartTol); if (!data) { std::cerr << "Cannot determine spacegroup.\n"; delete[] positions; delete[] types; return 0; } unsigned short hallNumber = data->hall_number; // Cleanup time spg_free_dataset(data); delete[] positions; delete[] types; mol.setHallNumber(hallNumber); return hallNumber; } bool AvoSpglib::reduceToPrimitive(Molecule& mol, double cartTol) { return standardizeCell(mol, cartTol, true, false); } bool AvoSpglib::conventionalizeCell(Molecule& mol, double cartTol) { return standardizeCell(mol, cartTol, false, true); } bool AvoSpglib::symmetrize(Molecule& mol, double cartTol) { return standardizeCell(mol, cartTol, true, true); } bool AvoSpglib::standardizeCell(Molecule& mol, double cartTol, bool toPrimitive, bool idealize) { if (!mol.unitCell()) return false; const UnitCell* uc = mol.unitCell(); Matrix3 cellMat = uc->cellMatrix(); double lattice[3][3]; // Spglib expects column vectors for (Index i = 0; i < 3; ++i) { for (Index j = 0; j < 3; ++j) { lattice[i][j] = cellMat(i, j); } } Index numAtoms = mol.atomCount(); // spg_standardize_cell() can cause the number of atoms to increase by // as much as 4x if toPrimitive is false. // So, we must make these arrays at least 4x the number of atoms. // If toPrimitive is true, then we will just use the number of atoms. // See http://atztogo.github.io/spglib/api.html#spg-standardize-cell int numAtomsMultiplier = toPrimitive ? 1 : 4; auto* positions = new double[numAtoms * numAtomsMultiplier][3]; int* types = new int[numAtoms * numAtomsMultiplier]; const Array& atomicNums = mol.atomicNumbers(); const Array& pos = mol.atomPositions3d(); // Positions need to be in fractional coordinates for (Index i = 0; i < numAtoms; ++i) { Vector3 fracCoords = uc->toFractional(pos[i]); positions[i][0] = fracCoords[0]; positions[i][1] = fracCoords[1]; positions[i][2] = fracCoords[2]; types[i] = atomicNums[i]; } // Run the spglib algorithm Index newNumAtoms = spg_standardize_cell(lattice, positions, types, numAtoms, toPrimitive, !idealize, cartTol); // If 0 is returned, the algorithm failed. if (newNumAtoms == 0) { delete[] positions; delete[] types; return false; } // Let's create a new molecule with the information Molecule newMol; // First, we will make the unit cell Matrix3 newCellMat; for (Index i = 0; i < 3; ++i) { for (Index j = 0; j < 3; ++j) { newCellMat(i, j) = lattice[i][j]; } } auto* newCell = new UnitCell(newCellMat); newMol.setUnitCell(newCell); // Next, add in the atoms for (Index i = 0; i < newNumAtoms; ++i) { Atom newAtom = newMol.addAtom(types[i]); Vector3 newAtomPos(positions[i][0], positions[i][1], positions[i][2]); // We must convert it back to cartesian before adding it newAtom.setPosition3d(newCell->toCartesian(newAtomPos)); } delete[] positions; delete[] types; // Set the new molecule mol = newMol; // Set the space group in the molecule getHallNumber(mol, cartTol); return true; } } // end Avogadro namespace avogadrolibs-1.100.0/avogadro/core/avospglib.h000066400000000000000000000062541474375334400212430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_AVO_SPGLIB_H #define AVOGADRO_CORE_AVO_SPGLIB_H #include "avogadrocoreexport.h" #include "molecule.h" namespace Avogadro::Core { /** * @class AvoSpglib avospglib.h * @brief The AvoSpglib class provides an interface between Avogadro and Spglib. */ class AVOGADROCORE_EXPORT AvoSpglib { public: AvoSpglib(); ~AvoSpglib(); /** * Use spglib to find the Hall number for a crystal. If the unit cell does not * exist or if the algorithm fails, 0 will be returned. * * If the algorithm succeeds, the hall number will be set in the molecule. * * @param mol The molecule to be handled. * @param cartTol The cartesian tolerance for spglib. * @return The Hall number for the crystal. */ static unsigned short getHallNumber(Molecule& mol, double cartTol = 1e-5); /** * Use spglib to reduce the crystal to a primitive cell. Unless the molecule * is missing its unit cell, it will be edited by spglib. Positions are * not idealized. * * If the algorithm succeeds, the hall number will be set in the molecule. * * @param mol The molecule to be reduced to its primitive cell. * @param cartTol The cartesian tolerance for spglib. * @return False if the molecule has no unit cell or if the spglib algorithm failed. True otherwise. */ static bool reduceToPrimitive(Molecule& mol, double cartTol = 1e-5); /** * Use spglib to refine the crystal to its conventional cell. Unless the * molecule is missing its unit cell, it will be edited by spglib. Positions * are idealized. * * If the algorithm succeeds, the hall number will be set in the molecule. * * @param mol The molecule to be conventionalized. * @param cartTol The cartesian tolerance for spglib. * @return False if the molecule has no unit cell or if the * spglib algorithm failed. True otherwise. */ static bool conventionalizeCell(Molecule& mol, double cartTol = 1e-5); /** * Use spglib to symmetrize the crystal. Unless the molecule is missing * its unit cell, it will be edited by spglib. It will be reduced * to its primitive form, and positions will be idealized. * * If the algorithm succeeds, the hall number will be set in the molecule. * * @param mol The molecule to be conventionalized. * @param cartTol The cartesian tolerance for spglib. * @return False if the molecule has no unit cell or if the * spglib algorithm failed. True otherwise. */ static bool symmetrize(Molecule& mol, double cartTol = 1e-5); private: // Called by reduceToPrimitive(), conventionalizeCell(), and symmetrize() // Calls spg_standardize_cell() static bool standardizeCell(Molecule& mol, double cartTol, bool toPrimitive, bool idealize); }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_AVO_SPGLIB_H avogadrolibs-1.100.0/avogadro/core/basisset.h000066400000000000000000000200031474375334400210560ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_BASISSET_H #define AVOGADRO_CORE_BASISSET_H #include "avogadrocoreexport.h" #include "core/variant.h" #include #include namespace Avogadro::Core { class Molecule; /** * @class BasisSet basisset.h * @brief BasisSet contains basis set data. * @author Marcus D. Hanwell * * This is the base class for basis sets, and has two derived classes - * GaussianSet and SlaterSet. It must be populated with data, with other classes * capable of performing calculations on the data or writing it out. */ class AVOGADROCORE_EXPORT BasisSet { public: /** * Constructor. */ BasisSet() = default; /** * Destructor. */ virtual ~BasisSet() = default; /** * Clone. */ virtual BasisSet* clone() const = 0; /** * @brief The ElectronType enum describes the type of electrons being set or * retrieved. If Paired, then Alpha and Beta cannot be set, if Alpha or Beta * then both must be set. */ enum ElectronType { Paired, Alpha, Beta }; /** * Set the number of electrons in the BasisSet. * @param n The number of electrons in the BasisSet. * @param type The type of the electrons (Alpha, Beta, or Paired). */ virtual void setElectronCount(unsigned int n, ElectronType type = Paired); /** * @param type The type of the electrons (Alpha, Beta, or Paired). * @return The number of electrons in the molecule. */ unsigned int electronCount(ElectronType type = Paired) const; /** * Set the molecule for the basis set. */ void setMolecule(Molecule* molecule_) { m_molecule = molecule_; } /** * Get the molecule this basis set belongs to. */ Molecule* molecule() { return m_molecule; } const Molecule* molecule() const { return m_molecule; } /** * Set the name of the basis set. */ void setName(const std::string& name) { m_name = name; } /** * Get the name of the basis set. */ std::string name() const { return m_name; } /** * Set the name of the basis set. */ void setTheoryName(const std::string& name) { m_theoryName = name; } /** * Get the name of the basis set. */ std::string theoryName() const { return m_theoryName; } /** * @return The number of molecular orbitals in the BasisSet. */ virtual unsigned int molecularOrbitalCount( ElectronType type = Paired) const = 0; /** * @return The molecular orbital number corresponding to the HOMO orbital. */ unsigned int homo(ElectronType type = Paired) const { return lumo(type) - 1; } /** * @return The molecular orbital number corresponding to the LUMO orbital. */ unsigned int lumo(ElectronType type = Paired) const; /** * @return True of the basis set is valid, false otherwise. * Default is true, if false then the basis set is likely unusable. */ virtual bool isValid() = 0; /** * @return the orbital symmetry labels (if they exist) for the MOs */ std::vector symmetryLabels(ElectronType type = Paired) const { if (type == Paired || type == Alpha) return m_symmetryLabels[0]; else return m_symmetryLabels[1]; } /** * Set the orbital symmetry labels (a1, t2g, etc.) for the molecular * orbitals */ void setSymmetryLabels(const std::vector& labels, ElectronType type = Paired); /** * @brief Set the molecular orbital energies, expected in Hartrees. * @param energies The vector containing energies for the MOs of type * @param type The type of the electrons being set. */ void setMolecularOrbitalEnergy(const std::vector& energies, ElectronType type = Paired); /** * @brief Set the molecular orbital occupancies. * @param occ The occupancies for the MOs of type. * @param type The type of the electrons being set. */ void setMolecularOrbitalOccupancy(const std::vector& occ, ElectronType type = Paired); std::vector& moEnergy(ElectronType type = Paired) { if (type == Paired || type == Alpha) return m_moEnergy[0]; else return m_moEnergy[1]; } std::vector moEnergy(ElectronType type = Paired) const { if (type == Paired || type == Alpha) return m_moEnergy[0]; else return m_moEnergy[1]; } std::vector& moOccupancy(ElectronType type = Paired) { if (type == Paired || type == Alpha) return m_moOccupancy[0]; else return m_moOccupancy[1]; } std::vector moOccupancy(ElectronType type = Paired) const { if (type == Paired || type == Alpha) return m_moOccupancy[0]; else return m_moOccupancy[1]; } protected: /** * Total number of electrons, 0 is alpha electrons and 1 is beta electrons. * For closed shell calculations alpha is doubly occupied and there are no * beta electrons. */ std::array m_electrons = {}; /** * The Molecule holds the atoms (and possibly bonds) read in from the output * file. Most basis sets have orbitals around these atoms, but this is not * necessarily the case. */ Molecule* m_molecule = nullptr; /** * The name of the basis set, this is usually a string identifier referencing * a standard basis set when only one is used. */ std::string m_name; /** * The name of the theory used for the calculation. */ std::string m_theoryName; /** * The orbital symmetry labels (if they exist) for the MOs */ std::vector m_symmetryLabels[2]; /** * @brief This block stores energies for the molecular orbitals (same * convention as the molecular orbital coefficients). */ std::vector m_moEnergy[2]; /** * @brief The occupancy of the molecular orbitals. */ std::vector m_moOccupancy[2]; }; inline unsigned int BasisSet::lumo(ElectronType type) const { if (type == Beta) { // check if we have occupancy data if (m_moOccupancy[1].size() > 0) { for (unsigned int i = 0; i < m_moOccupancy[1].size(); ++i) { if (m_moOccupancy[1][i] == 0) return i; } } } else { // alpha or paired // check if we have occupancy data - more accurate if (m_moOccupancy[0].size() > 0) { for (unsigned int i = 0; i < m_moOccupancy[0].size(); ++i) { if (m_moOccupancy[0][i] == 0) return i; } } } // fall back to electron count return m_electrons[0] / 2 + 1; } inline void BasisSet::setElectronCount(unsigned int n, ElectronType type) { switch (type) { case Paired: m_electrons[0] = n; m_electrons[1] = 0; break; case Alpha: m_electrons[0] = n; break; case Beta: m_electrons[1] = n; break; default: // Shouldn't hit this condition. ; } } inline unsigned int BasisSet::electronCount(ElectronType type) const { switch (type) { case Paired: case Alpha: return m_electrons[0]; case Beta: return m_electrons[1]; default: // Shouldn't hit this condition. return 0; } } inline void BasisSet::setSymmetryLabels(const std::vector& labels, ElectronType type) { if (type == Paired || type == Alpha) m_symmetryLabels[0] = labels; else m_symmetryLabels[1] = labels; } inline void BasisSet::setMolecularOrbitalEnergy( const std::vector& energies, ElectronType type) { if (type == Beta) m_moEnergy[1] = energies; else m_moEnergy[0] = energies; } inline void BasisSet::setMolecularOrbitalOccupancy( const std::vector& occ, ElectronType type) { if (type == Beta) m_moOccupancy[1] = occ; else m_moOccupancy[0] = occ; } } // namespace Avogadro::Core #endif avogadrolibs-1.100.0/avogadro/core/bond.h000066400000000000000000000141541474375334400201750ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_BOND_H #define AVOGADRO_CORE_BOND_H #include "avogadrocore.h" #include "atom.h" namespace Avogadro::Core { /** * @class Bond bond.h * The Bond class represents a bond in a molecule. * To use the appropriate bond implementation for a specific molecule * implementation, use the [MoleculeClass]::BondType typedef. */ template class BondTemplate { public: using MoleculeType = Molecule_T; using AtomType = typename Molecule_T::AtomType; /** Creates a new, invalid bond object. */ BondTemplate() = default; /** * Creates a bond object representing a bond at index @p i in molecule @p m. */ BondTemplate(MoleculeType* m, Index i); /** * @return True if @a this and @a other share the same index and molecule. */ bool operator==(const BondTemplate& other) const; /** * @return True if @a this and @a other do not share the same index or * molecule. */ bool operator!=(const BondTemplate& other) const; /** * Prefix increment operator. Increment this Bond's index by 1 and return a * self-reference. Check isValid() before calling any other methods. */ BondTemplate& operator++(); /** * Postfix increment operator. Increment this Bond's index by 1 and return a * copy of the current Atom. Check isValid() before calling any other methods. */ BondTemplate operator++(int); /** * Prefix decrement operator. Decrement this Bond's index by 1 and return a * self-reference. Check isValid() before calling any other methods. */ BondTemplate& operator--(); /** * Postfix decrement operator. Decrement this Bond's index by 1 and return a * copy of the current Atom. Check isValid() before calling any other methods. */ BondTemplate operator--(int); /** * @return True if the molecule is set and the index is less than the number * of bonds. */ bool isValid() const; /** * @return The molecule that contains this Bond. */ MoleculeType* molecule() const; /** * @return The index of this bond in molecule(). */ Index index() const; /** * An atom in the bond, such that atom1().index() < atom2.index(). * @{ */ AtomType atom1() const; AtomType atom2() const; /** @} */ /** * @return The atom in the bond such that returned.index() != index. */ AtomType getOtherAtom(Index index) const; /** * @return The atom in the bond such that returned.index() != atom.index(). */ AtomType getOtherAtom(AtomType atom) const; /** * The bond's order (single = 1, double = 2, etc.) * @{ */ void setOrder(unsigned char o); unsigned char order() const; /** @} */ /** * The length of the bond or 0.0 if the bond is invalid. */ Real length() const; /** * A label for the bond (if any) */ std::string label() const; private: MoleculeType* m_molecule = nullptr; Index m_index = MaxIndex; }; template BondTemplate::BondTemplate(MoleculeType* m, Index i) : m_molecule(m), m_index(i) { } template bool BondTemplate::operator==( const BondTemplate& other) const { return m_molecule == other.m_molecule && m_index == other.m_index; } template bool BondTemplate::operator!=( const BondTemplate& other) const { return m_molecule != other.m_molecule || m_index != other.m_index; } template BondTemplate& BondTemplate::operator++() { ++m_index; return *this; } template BondTemplate BondTemplate::operator++(int) { BondTemplate result(m_molecule, m_index++); return result; } template BondTemplate& BondTemplate::operator--() { --m_index; return *this; } template BondTemplate BondTemplate::operator--(int) { BondTemplate result(m_molecule, m_index--); return result; } template bool BondTemplate::isValid() const { return m_molecule && m_index < m_molecule->bondCount(); } template typename BondTemplate::MoleculeType* BondTemplate::molecule() const { return m_molecule; } template Index BondTemplate::index() const { return m_index; } template typename BondTemplate::AtomType BondTemplate::atom1() const { return AtomType(m_molecule, m_molecule->bondPairs()[m_index].first); } template typename BondTemplate::AtomType BondTemplate::atom2() const { return AtomType(m_molecule, m_molecule->bondPairs()[m_index].second); } template typename BondTemplate::AtomType BondTemplate::getOtherAtom(Index index) const { if (atom1().index() == index) return atom2(); else return atom1(); } template typename BondTemplate::AtomType BondTemplate::getOtherAtom( BondTemplate::AtomType atom) const { return getOtherAtom(atom.index()); } template void BondTemplate::setOrder(unsigned char o) { m_molecule->setBondOrder(m_index, o); } template unsigned char BondTemplate::order() const { return m_molecule->bondOrders()[m_index]; } template Real BondTemplate::length() const { if (!isValid()) return 0.0; return (atom1().position3d() - atom2().position3d()).norm(); } template std::string BondTemplate::label() const { return m_molecule->bondLabel(m_index); } } // namespace Avogadro::Core #endif // AVOGADRO_CORE_BOND_H avogadrolibs-1.100.0/avogadro/core/color3f.h000066400000000000000000000071431474375334400206220ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_COLOR3F_H #define AVOGADRO_CORE_COLOR3F_H #include namespace Avogadro::Core { namespace detail { /** Used to represent Maximum RGB value as a float. */ constexpr float k_MaxRGBColorValue = 255.0f; } // namespace detail /** * @class Color3f color3f.h * @brief Representation of an RGB color using three floats. * @author Marcus D. Hanwell * * This class represents a color as three floats ranging from 0.0 to 1.0 * specifying the intensity of the red, green and blue components of the * color. It is stored in memory as float[3], and so vectors containing this * type may be passed directly to OpenGL and other functions as C arrays. * * Several convenience functions are provided, the class is written with an * emphasis on efficiency and memory layout. */ class Color3f { public: /** * Constructor, results in a black Color3f object unless the RGB values are * set. * @param red Intensity (from 0.0 to 1.0) of the red component of the color. * @param green Intensity (from 0.0 to 1.0) of the green component of the * color. * @param blue Intensity (from 0.0 to 1.0) of the blue component of the color. */ Color3f(float red = 0.0, float green = 0.0, float blue = 0.0); /** * Constructor where the color is constructed from integer values. * @param red Intensity (from 0 to 255) of the red component of the color. * @param green Intensity (from 0 to 255) of the green component of the color. * @param blue Intensity (from 0 to 255) of the blue component of the color. */ Color3f(int red, int green, int blue); /** * Sets the color objects components. * @param red Intensity (from 0.0 to 1.0) of the red component of the color. * @param green Intensity (from 0.0 to 1.0) of the green component of the * color. * @param blue Intensity (from 0.0 to 1.0) of the blue component of the color. */ void set(float red, float green, float blue); /** * @return The intensity of the red component of the color (0.0 to 1.0). */ float red() const { return m_data[0]; } /** * @return The intensity of the green component of the color (0.0 to 1.0). */ float green() const { return m_data[1]; } /** * @return The intensity of the blue component of the color (0.0 to 1.0). */ float blue() const { return m_data[2]; } /** * @return Direct access to the underlying float array of size 3. */ float* data(); /** * This function is useful when calling OpenGL functions which expect a * float * array of size 3. * @return Direct access to the underlying float array of size 3. */ const float* data() const; protected: std::array m_data; }; inline Color3f::Color3f(float r, float g, float b) : m_data({ r, g, b }) {} // clang-format off inline Color3f::Color3f(int r, int g, int b) : m_data({static_cast(r) / detail::k_MaxRGBColorValue, static_cast(g) / detail::k_MaxRGBColorValue, static_cast(b) / detail::k_MaxRGBColorValue}) { } // clang-format on inline void Color3f::set(float r, float g, float b) { m_data[0] = r; m_data[1] = g; m_data[2] = b; } inline float* Color3f::data() { return m_data.data(); } inline const float* Color3f::data() const { return m_data.data(); } } // End namespace Avogadro::Core #endif // AVOGADRO_CORE_COLOR3F_H avogadrolibs-1.100.0/avogadro/core/coordinateblockgenerator.cpp000066400000000000000000000144251474375334400246600ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "coordinateblockgenerator.h" #include #include #include #include #include #include namespace Avogadro::Core { std::string CoordinateBlockGenerator::generateCoordinateBlock() { if (!m_molecule) return {}; // Reset stream. m_stream.str(""); m_stream.clear(); // Create/cache some iterators for the specification string. std::string::const_iterator it; const std::string::const_iterator begin = m_specification.begin(); const std::string::const_iterator end = m_specification.end(); // Check the spec to see if certain items are needed. bool needElementSymbol(false); bool needElementName(false); bool needPosition(false); bool needFractionalPosition(false); for (it = begin; it != end; ++it) { switch (*it) { case 'S': case 'L': needElementSymbol = true; break; case 'N': needElementName = true; break; case 'x': case 'y': case 'z': needPosition = true; break; case 'a': case 'b': case 'c': needFractionalPosition = true; break; } } // Variables for loops below const Index numAtoms = m_molecule->atomCount(); Atom atom; unsigned char atomicNumber; const char* symbol = "\0"; const char* name = "\0"; Vector3 pos3d; Vector3 fpos3d; const UnitCell* cell = needFractionalPosition ? molecule()->unitCell() : nullptr; // widths/precisions enum { atomicNumberPrecision = 0, atomicNumberWidth = 3, atomicLabelWidth = 8, // 3 element symbol + 5 index coordinatePrecision = 6, coordinateWidth = 11, elementNameWidth = 13, // Currently the longest element name elementSymbolWidth = 3, gamessAtomicNumberPrecision = 1, gamessAtomicNumberWidth = 5 }; const int indexWidth( static_cast(std::log10(static_cast(numAtoms))) + 1); // Use fixed number format. m_stream << std::fixed; // Count the number for each element std::vector elementCounts(Elements::elementCount(), 0); // Iterate through the atoms for (Index atomI = 0; atomI < numAtoms; ++atomI) { atom = m_molecule->atom(atomI); atomicNumber = atom.atomicNumber(); elementCounts[atomicNumber]++; if (needElementSymbol) symbol = Core::Elements::symbol(atomicNumber); if (needElementName) name = Core::Elements::name(atomicNumber); if (needPosition) pos3d = atom.position3d(); if (needFractionalPosition) fpos3d = cell ? cell->toFractional(atom.position3d()) : Vector3::Zero(); switch (m_distanceUnit) { case Bohr: pos3d *= ANGSTROM_TO_BOHR_F; break; default: case Angstrom: break; } for (it = begin; it != end; ++it) { switch (*it) { case '_': // Space character. If we are not at the end of the spec, a space will // be added by default after the switch clause. If we are at the end, // add a space before the newline that will be added. if (it + 1 == end) m_stream << std::setw(1) << " "; break; case '#': m_stream << std::left << std::setw(indexWidth) << static_cast(atomI + 1); break; case 'Z': m_stream << std::left << std::setw(atomicNumberWidth) << std::setprecision(atomicNumberPrecision) << static_cast(atomicNumber); break; case 'G': m_stream << std::right << std::setw(gamessAtomicNumberWidth) << std::setprecision(gamessAtomicNumberPrecision) << static_cast(atomicNumber); break; case 'S': m_stream << std::left << std::setw(elementSymbolWidth) << symbol; break; case 'L': m_stream << std::left << symbol << elementCounts[atomicNumber] << " "; break; case 'N': m_stream << std::left << std::setw(elementNameWidth) << name; break; case 'x': m_stream << std::right << std::setw(coordinateWidth) << std::setprecision(coordinatePrecision) << pos3d.x(); break; case 'y': m_stream << std::right << std::setw(coordinateWidth) << std::setprecision(coordinatePrecision) << pos3d.y(); break; case 'z': m_stream << std::right << std::setw(coordinateWidth) << std::setprecision(coordinatePrecision) << pos3d.z(); break; case '0': m_stream << std::left << std::setw(1) << 0; break; case '1': m_stream << std::left << std::setw(1) << 1; break; case 'a': if (cell) { m_stream << std::right << std::setw(coordinateWidth) << std::setprecision(coordinatePrecision) << fpos3d.x(); } else { m_stream << std::right << std::setw(coordinateWidth) << "N/A"; } break; case 'b': if (cell) { m_stream << std::right << std::setw(coordinateWidth) << std::setprecision(coordinatePrecision) << fpos3d.y(); } else { m_stream << std::right << std::setw(coordinateWidth) << "N/A"; } break; case 'c': if (cell) { m_stream << std::right << std::setw(coordinateWidth) << std::setprecision(coordinatePrecision) << fpos3d.z(); } else { m_stream << std::right << std::setw(coordinateWidth) << "N/A"; } break; } // end switch // Prepare for next value. Push a space into the output stream if we are // not at the end of the line, or a newline if we are. m_stream << std::setw(1) << (it + 1 != end ? ' ' : '\n'); } // end spec char } // end for atom return m_stream.str(); } } // namespace Avogadro::Core avogadrolibs-1.100.0/avogadro/core/coordinateblockgenerator.h000066400000000000000000000066371474375334400243330ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_COORDINATEBLOCKGENERATOR_H #define AVOGADRO_CORE_COORDINATEBLOCKGENERATOR_H #include "avogadrocoreexport.h" #include #include namespace Avogadro::Core { class Molecule; /** * @class CoordinateBlockGenerator coordinateblockgenerator.h * * @brief The CoordinateBlockGenerator class creates an aligned, formatted block * of atomic coordinates. * * See the setSpecification() documentation for details on specifying the block * format. */ class AVOGADROCORE_EXPORT CoordinateBlockGenerator { public: /** * Construct the default CoordinateBlockGenerator with an empty specification * and Angstrom distance units. */ CoordinateBlockGenerator() = default; /** * The molecule used as input. * @} */ void setMolecule(const Molecule* mol) { m_molecule = mol; } const Molecule* molecule() const { return m_molecule; } /** @} */ /** * The specification of the block format. * The characters in the specification string indicate the information needed * about each atom in the coordinate block. * - @c #: Atom index (one-based index) * - @c Z: Atomic number (e.g. "6" for carbon) * - @c L: Atomic label (e.g., "C1" for first carbon)") * - @c G: GAMESS-styled Atomic number (e.g. "6.0" for carbon) * - @c S: Element symbol (e.g. "C" for carbon) * - @c N: Element name (e.g. "Carbon") * - @c x: X cartesian coordinate * - @c y: Y cartesian coordinate * - @c z: Z cartesian coordinate * - @c a: 'a' lattice coordinate (unit cell required) * - @c b: 'b' lattice coordinate (unit cell required) * - @c c: 'c' lattice coordinate (unit cell required) * - @c 0: A literal "0". Useful for optimization flags. * - @c 1: A literal "1". Useful for optimization flags. * - @c _: A space character. Useful for alignment. * * For example, the specification string ~~~ __SZxyz110 ~~~ * will be replaced by a molecule-specific block of text similar to the * following: ~~~ C 6 1.126214 0.765886 0.000000 1 1 0 C 6 0.819345 -0.564955 0.000000 1 1 0 C 6 -0.598383 -0.795127 0.000000 1 1 0 C 6 -1.310706 0.370165 0.000000 1 1 0 S 16 -0.285330 1.757144 0.000000 1 1 0 H 1 2.130424 1.185837 0.000000 1 1 0 H 1 1.548377 -1.375303 0.000000 1 1 0 H 1 -1.033768 -1.794407 0.000000 1 1 0 H 1 -2.396173 0.450760 0.000000 1 1 0 ~~~ */ void setSpecification(const std::string& spec) { m_specification = spec; } std::string specification() const { return m_specification; } /** @} */ /** Distance unit used in the output. @{ */ enum DistanceUnit { Angstrom = 0, Bohr }; void setDistanceUnit(DistanceUnit unit) { m_distanceUnit = unit; } DistanceUnit distanceUnit() const { return m_distanceUnit; } /** @} */ /** * Generate and return the coordinate block. */ std::string generateCoordinateBlock(); private: const Molecule* m_molecule = nullptr; std::string m_specification; DistanceUnit m_distanceUnit = Angstrom; std::stringstream m_stream; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_COORDINATEBLOCKGENERATOR_H avogadrolibs-1.100.0/avogadro/core/coordinateset.h000066400000000000000000000056731474375334400221240ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_COORDINATESET_H #define AVOGADRO_CORE_COORDINATESET_H #include "avogadrocore.h" #include #include namespace Avogadro::Core { /** * @class ArraySet coordinateset.h * @brief Base class for array type containers. * * This base class gives us the non-templated base class that stores all arrays * of data. You should use the base class as the container, and figure out its * type when using it. */ class ArraySet { public: ArraySet() : m_content(nullptr), m_data(nullptr) {} ~ArraySet() { delete m_content; } /** @return true if the type of the array matches the input type. */ template bool isType(const T&) const { return m_content ? typeid(T) == m_content->type() : false; } /* template std::vector data() { if (m_data && isType(T)) return static_cast &>(*m_data); else return std::vector(); } */ protected: class PlaceHolder { public: virtual ~PlaceHolder() {} virtual const std::type_info& type() const = 0; virtual PlaceHolder* clone() const = 0; }; template class Holder : public PlaceHolder { public: Holder(const ValueType& value) : m_content(value) {} const std::type_info& type() const override { return typeid(ValueType); } PlaceHolder* clone() const override { return new Holder(m_content); } ValueType m_content; }; PlaceHolder* m_content; void* m_data; }; /** * @class CoordinateSet coordinateset.h * @brief Templated class for array type containers. * * This class gives us the derived templated class that stores arrays of data. * of data. This class should be used to store concrete arrays, and can be * cast to ArraySet when stored in generic containers. */ template class CoordinateSet : public ArraySet { public: CoordinateSet() { m_content = new Holder(T()); } ~CoordinateSet() = default; // Properties void resize(Index _size) { m_coordinates.resize(_size); } Index size() const { return m_coordinates.size(); } std::vector& coordinates() { return m_coordinates; } const std::vector& coordinates() const { return m_coordinates; } // Inline operator methods. /** Returns the element at \index _index. */ T operator()(Index _index) const { return m_coordinates.at(_index); } T& operator[](Index _index) { return m_coordinates[_index]; } const T& operator[](Index _index) const { return m_coordinates[_index]; } private: std::vector m_coordinates; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_COORDINATESET_H avogadrolibs-1.100.0/avogadro/core/crystaltools.cpp000066400000000000000000000470731474375334400223560ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "crystaltools.h" #include "molecule.h" #include "unitcell.h" #include #include namespace Avogadro::Core { namespace { struct WrapAtomsToCellFunctor { const UnitCell& unitCell; WrapAtomsToCellFunctor(Molecule& molecule) : unitCell(*molecule.unitCell()) {} void operator()(Vector3& pos) { unitCell.wrapCartesian(pos, pos); } }; } // namespace bool CrystalTools::wrapAtomsToUnitCell(Molecule& molecule) { if (!molecule.unitCell()) return false; // remove any bonds first - otherwise they may wrap // across the unit cell strangely molecule.clearBonds(); std::for_each(molecule.atomPositions3d().begin(), molecule.atomPositions3d().end(), WrapAtomsToCellFunctor(molecule)); molecule.perceiveBondsSimple(); molecule.perceiveBondOrders(); return true; } bool CrystalTools::rotateToStandardOrientation(Molecule& molecule, Options opts) { if (!molecule.unitCell()) return false; const UnitCell& cell = *molecule.unitCell(); const Matrix3& before = cell.cellMatrix(); // Extract vector components: const Real& x1 = before(0, 0); const Real& y1 = before(1, 0); const Real& z1 = before(2, 0); const Real& x2 = before(0, 1); const Real& y2 = before(1, 1); const Real& z2 = before(2, 1); const Real& x3 = before(0, 2); const Real& y3 = before(1, 2); const Real& z3 = before(2, 2); // Cache some frequently used values: // Length of v1 const Real L1 = std::sqrt(x1 * x1 + y1 * y1 + z1 * z1); // Squared norm of v1's yz projection const Real sqrdnorm1yz = y1 * y1 + z1 * z1; // Squared norm of v2's yz projection const Real sqrdnorm2yz = y2 * y2 + z2 * z2; // Determinant of v1 and v2's projections in yz plane const Real detv1v2yz = y2 * z1 - y1 * z2; // Scalar product of v1 and v2's projections in yz plane const Real dotv1v2yz = y1 * y2 + z1 * z2; // Used for denominators, since we want to check that they are // sufficiently far from 0 to keep things reasonable: Real denom; const Real DENOM_TOL = 1e-5; // Create target matrix, fill with zeros Matrix3 newMat(Matrix3::Zero()); // Set components of new v1: newMat(0, 0) = L1; // Set components of new v2: denom = L1; if (fabs(denom) < DENOM_TOL) return false; newMat(0, 1) = (x1 * x2 + y1 * y2 + z1 * z2) / denom; newMat(1, 1) = sqrt(x2 * x2 * sqrdnorm1yz + detv1v2yz * detv1v2yz - 2 * x1 * x2 * dotv1v2yz + x1 * x1 * sqrdnorm2yz) / denom; // Set components of new v3 newMat(0, 2) = (x1 * x3 + y1 * y3 + z1 * z3) / denom; denom = L1 * L1 * newMat(1, 1); if (fabs(denom) < DENOM_TOL) return false; newMat(1, 2) = (x1 * x1 * (y2 * y3 + z2 * z3) + x2 * (x3 * sqrdnorm1yz - x1 * (y1 * y3 + z1 * z3)) + detv1v2yz * (y3 * z1 - y1 * z3) - x1 * x3 * dotv1v2yz) / denom; denom = L1 * newMat(1, 1); if (fabs(denom) < DENOM_TOL) return false; // Numerator is determinant of original cell: newMat(2, 2) = before.determinant() / denom; return setCellMatrix(molecule, newMat, opts & TransformAtoms); } bool CrystalTools::setVolume(Molecule& molecule, Real newVolume, Options opts) { if (!molecule.unitCell()) return false; const UnitCell& cell = *molecule.unitCell(); const Real scaleFactor = std::pow(newVolume / cell.volume(), static_cast(1.0 / 3.0)); const Matrix3 newMatrix(cell.cellMatrix() * scaleFactor); return setCellMatrix(molecule, newMatrix, opts & TransformAtoms); } // A collection of fuzzy comparison operators used in the niggli reduction // algorithm: namespace { const double FUZZY_TOL(1e-5); template bool fuzzyLessThan(T v1, T v2, T prec = static_cast(FUZZY_TOL)) { return (v1 < (v2 - prec)); } template bool fuzzyGreaterThan(T v1, T v2, T prec = static_cast(FUZZY_TOL)) { return (v2 < (v1 - prec)); } template bool fuzzyEqual(T v1, T v2, T prec = static_cast(FUZZY_TOL)) { return (!(fuzzyLessThan(v1, v2, prec) || fuzzyGreaterThan(v1, v2, prec))); } template bool fuzzyNotEqual(T v1, T v2, T prec = static_cast(FUZZY_TOL)) { return (!(fuzzyEqual(v1, v2, prec))); } template bool fuzzyLessThanEq(T v1, T v2, T prec = static_cast(FUZZY_TOL)) { return (!fuzzyGreaterThan(v1, v2, prec)); } template bool fuzzyGreaterThanEq(T v1, T v2, T prec = static_cast(FUZZY_TOL)) { return (!lt(v1, v2, prec)); } template T niggliSign(T v) { // consider 0 to be positive return (v >= static_cast(0.)) ? static_cast(1.0) : static_cast(-1.0); } template T niggliRound(T v, T dec) { const T shift = std::pow(10.0, dec); const T shifted = v * shift; return std::floor(shifted + 0.5) / shift; } } // namespace bool CrystalTools::niggliReduce(Molecule& molecule, Options opts) { if (!molecule.unitCell()) return false; UnitCell& cell = *molecule.unitCell(); // Maximum number of iterations const unsigned int maxIterations = 1000; // Get cell parameters in storage units, convert deg->rad Real a = cell.a(); Real b = cell.b(); Real c = cell.c(); Real alpha = cell.alpha(); Real beta = cell.beta(); Real gamma = cell.gamma(); // Compute characteristic (step 0) Real A = a * a; Real B = b * b; Real C = c * c; Real xi = 2 * b * c * std::cos(alpha); Real eta = 2 * a * c * std::cos(beta); Real zeta = 2 * a * b * std::cos(gamma); // Return value. bool ret = false; // Comparison tolerance. Real tol = FUZZY_TOL * std::pow(a * b * c, static_cast(1.0 / 3.0)); // Initialize change of basis matrices: // // Although the reduction algorithm produces quantities directly // relatable to a,b,c,alpha,beta,gamma, we will calculate a change // of basis matrix to use instead, and discard A, B, C, xi, eta, // zeta. By multiplying the change of basis matrix against the // current cell matrix, we avoid the problem of handling the // orientation matrix already present in the cell. The inverse of // this matrix can also be used later to convert the atomic // positions. // tmpMat is used to build other matrices Matrix3 tmpMat; // Cache static matrices: // Swap x, y (Used in Step 1). Negatives ensure proper sign of final // determinant. tmpMat << 0, -1, 0, -1, 0, 0, 0, 0, -1; const Matrix3 C1(tmpMat); // Swap y, z (Used in Step 2). Negatives ensure proper sign of final // determinant tmpMat << -1, 0, 0, 0, 0, -1, 0, -1, 0; const Matrix3 C2(tmpMat); // For step 8: tmpMat << 1, 0, 1, 0, 1, 1, 0, 0, 1; const Matrix3 C8(tmpMat); // initial change of basis matrix tmpMat << 1, 0, 0, 0, 1, 0, 0, 0, 1; Matrix3 cob(tmpMat); // Enable debugging output here: /* #define NIGGLI_DEBUG(step) \ std::cout << iter << " " << step << " " << A << " " << B << " " << C \ << " " << xi << " " << eta << " " << zeta << std::endl; */ #define NIGGLI_DEBUG(step) // Allow Argument Dependent Lookup for swap using std::swap; // Perform iterative reduction: unsigned int iter; for (iter = 0; iter < maxIterations; ++iter) { // Step 1: if (fuzzyGreaterThan(A, B, tol) || (fuzzyEqual(A, B, tol) && fuzzyGreaterThan(std::fabs(xi), std::fabs(eta), tol))) { cob *= C1; swap(A, B); swap(xi, eta); NIGGLI_DEBUG(1); } // Step 2: if (fuzzyGreaterThan(B, C, tol) || (fuzzyEqual(B, C, tol) && fuzzyGreaterThan(std::fabs(eta), std::fabs(zeta), tol))) { cob *= C2; swap(B, C); swap(eta, zeta); NIGGLI_DEBUG(2); continue; } // Step 3: // Use exact comparisons in steps 3 and 4. if (xi * eta * zeta > 0) { // Update change of basis matrix: tmpMat << niggliSign(xi), 0, 0, 0, niggliSign(eta), 0, 0, 0, niggliSign(zeta); cob *= tmpMat; // Update characteristic xi = std::fabs(xi); eta = std::fabs(eta); zeta = std::fabs(zeta); NIGGLI_DEBUG(3); ++iter; } // Step 4: // Use exact comparisons for steps 3 and 4 else { // either step 3 or 4 should run // Update change of basis matrix: Real* p = nullptr; Real i = 1; Real j = 1; Real k = 1; if (xi > 0) { i = -1; } else if (!(xi < 0)) { p = &i; } if (eta > 0) { j = -1; } else if (!(eta < 0)) { p = &j; } if (zeta > 0) { k = -1; } else if (!(zeta < 0)) { p = &k; } if (i * j * k < 0) { if (!p) { // This was originally an error message displayed in a dialog: // Niggli-reduction failed. The input structure's lattice is confusing // the Niggli-reduction algorithm. Try making a small perturbation // (approx. 2 orders of magnitude smaller than the tolerance) to the // input lattices and try again. return false; } *p = -1; } tmpMat << i, 0, 0, 0, j, 0, 0, 0, k; cob *= tmpMat; // Update characteristic xi = -std::fabs(xi); eta = -std::fabs(eta); zeta = -std::fabs(zeta); NIGGLI_DEBUG(4); ++iter; } // Step 5: if (fuzzyGreaterThan(std::fabs(xi), B, tol) || (fuzzyEqual(xi, B, tol) && fuzzyLessThan(2 * eta, zeta, tol)) || (fuzzyEqual(xi, -B, tol) && fuzzyLessThan(zeta, Real(0), tol))) { Real signXi = niggliSign(xi); // Update change of basis matrix: tmpMat << 1, 0, 0, 0, 1, -signXi, 0, 0, 1; cob *= tmpMat; // Update characteristic C = B + C - xi * signXi; eta = eta - zeta * signXi; xi = xi - 2 * B * signXi; NIGGLI_DEBUG(5); continue; } // Step 6: if (fuzzyGreaterThan(std::fabs(eta), A, tol) || (fuzzyEqual(eta, A, tol) && fuzzyLessThan(2 * xi, zeta, tol)) || (fuzzyEqual(eta, -A, tol) && fuzzyLessThan(zeta, Real(0), tol))) { Real signEta = niggliSign(eta); // Update change of basis matrix: tmpMat << 1, 0, -signEta, 0, 1, 0, 0, 0, 1; cob *= tmpMat; // Update characteristic C = A + C - eta * signEta; xi = xi - zeta * signEta; eta = eta - 2 * A * signEta; NIGGLI_DEBUG(6); continue; } // Step 7: if (fuzzyGreaterThan(std::fabs(zeta), A, tol) || (fuzzyEqual(zeta, A, tol) && fuzzyLessThan(2 * xi, eta, tol)) || (fuzzyEqual(zeta, -A, tol) && fuzzyLessThan(eta, Real(0), tol))) { Real signZeta = niggliSign(zeta); // Update change of basis matrix: tmpMat << 1, -signZeta, 0, 0, 1, 0, 0, 0, 1; cob *= tmpMat; // Update characteristic B = A + B - zeta * signZeta; xi = xi - eta * signZeta; zeta = zeta - 2 * A * signZeta; NIGGLI_DEBUG(7); continue; } // Step 8: Real sumAllButC = A + B + xi + eta + zeta; if (fuzzyLessThan(sumAllButC, Real(0), tol) || (fuzzyEqual(sumAllButC, Real(0), tol) && fuzzyGreaterThan(2 * (A + eta) + zeta, Real(0), tol))) { // Update change of basis matrix: cob *= C8; // Update characteristic C = sumAllButC + C; xi = 2 * B + xi + zeta; eta = 2 * A + eta + zeta; NIGGLI_DEBUG(8); continue; } // Done! ret = true; break; } // No change if (iter == 0) return true; // Iteration limit exceeded: if (!ret) return false; // Update atoms if needed if (opts & TransformAtoms) { // Get fractional coordinates Array fcoords; if (!fractionalCoordinates(molecule, fcoords)) return false; // fix coordinates with COB matrix: const Matrix3 invCob(cob.inverse()); for (auto& fcoord : fcoords) { fcoord = invCob * fcoord; } // Update cell cell.setCellMatrix(cell.cellMatrix() * cob); // Reapply the fractional coordinates setFractionalCoordinates(molecule, fcoords); } else { // just update the matrix: cell.setCellMatrix(cell.cellMatrix() * cob); } return true; } bool CrystalTools::isNiggliReduced(const Molecule& molecule) { if (!molecule.unitCell()) return false; const UnitCell& cell = *molecule.unitCell(); const Real a = cell.a(); const Real b = cell.b(); const Real c = cell.c(); const Real alpha = cell.alpha(); const Real beta = cell.beta(); const Real gamma = cell.gamma(); const Real A = a * a; const Real B = b * b; const Real C = c * c; const Real xi = static_cast(2) * b * c * std::cos(alpha); const Real eta = static_cast(2) * a * c * std::cos(beta); const Real zeta = static_cast(2) * a * b * std::cos(gamma); const Real tol = FUZZY_TOL * ((a + b + c) * static_cast(1. / 3.)); // First check the Buerger conditions. Taken from: Gruber B.. Acta // Cryst. A. 1973;29(4):433-440. Available at: // http://scripts.iucr.org/cgi-bin/paper?S0567739473001063 // [Accessed December 15, 2010]. if (fuzzyGreaterThan(A, B, tol) || fuzzyGreaterThan(B, C, tol)) return false; if (fuzzyEqual(A, B, tol) && fuzzyGreaterThan(std::fabs(xi), std::fabs(eta), tol)) { return false; } if (fuzzyEqual(B, C, tol) && fuzzyGreaterThan(std::fabs(eta), std::fabs(zeta), tol)) { return false; } if (!(fuzzyGreaterThan(xi, static_cast(0.0), tol) && fuzzyGreaterThan(eta, static_cast(0.0), tol) && fuzzyGreaterThan(zeta, static_cast(0.0), tol)) && !(fuzzyLessThanEq(zeta, static_cast(0.0), tol) && fuzzyLessThanEq(zeta, static_cast(0.0), tol) && fuzzyLessThanEq(zeta, static_cast(0.0), tol))) { return false; } // Check against Niggli conditions (taken from Gruber 1973). The // logic of the second comparison is reversed from the paper to // simplify the algorithm. if (fuzzyEqual(xi, B, tol) && fuzzyGreaterThan(zeta, static_cast(2) * eta, tol)) { return false; } if (fuzzyEqual(eta, A, tol) && fuzzyGreaterThan(zeta, static_cast(2) * xi, tol)) { return false; } if (fuzzyEqual(zeta, A, tol) && fuzzyGreaterThan(eta, static_cast(2) * xi, tol)) { return false; } if (fuzzyEqual(xi, -B, tol) && fuzzyNotEqual(zeta, static_cast(0), tol)) { return false; } if (fuzzyEqual(eta, -A, tol) && fuzzyNotEqual(zeta, static_cast(0), tol)) { return false; } if (fuzzyEqual(zeta, -A, tol) && fuzzyNotEqual(eta, static_cast(0), tol)) { return false; } if (fuzzyEqual(xi + eta + zeta + A + B, static_cast(0), tol) && fuzzyGreaterThan(static_cast(2) * (A + eta) + zeta, static_cast(0), tol)) { return false; } // all good! return true; } bool CrystalTools::buildSupercell(Molecule& molecule, unsigned int a, unsigned int b, unsigned int c) { if (!molecule.unitCell()) return false; // Just a check. Hopefully this won't happen if (a == 0 || b == 0 || c == 0) { std::cerr << "Warning: in buildSupercell(), a, b, or c were set to zero." << "This function will not proceed. Returning false."; return false; } // Get the old vectors Vector3 oldA = molecule.unitCell()->aVector(); Vector3 oldB = molecule.unitCell()->bVector(); Vector3 oldC = molecule.unitCell()->cVector(); // Calculate new vectors Vector3 newA = oldA * a; Vector3 newB = oldB * b; Vector3 newC = oldC * c; // archive the old bond pairs and orders Array> bondPairs = molecule.bondPairs(); Array bondOrders = molecule.bondOrders(); // Add in the atoms to the new subcells of the supercell Index numAtoms = molecule.atomCount(); Array atoms = molecule.atomPositions3d(); Array atomicNums = molecule.atomicNumbers(); for (Index ind_a = 0; ind_a < a; ++ind_a) { for (Index ind_b = 0; ind_b < b; ++ind_b) { for (Index ind_c = 0; ind_c < c; ++ind_c) { // Skip over the subcell that already exists if (ind_a == 0 && ind_b == 0 && ind_c == 0) continue; // The positions of the new atoms are displacements of the old atoms Vector3 displacement = ind_a * oldA + ind_b * oldB + ind_c * oldC; for (Index i = 0; i < numAtoms; ++i) { Atom newAtom = molecule.addAtom(atomicNums.at(i)); newAtom.setPosition3d(atoms.at(i) + displacement); } } } } // now we need to add the bonds unsigned copies = molecule.atomCount() / numAtoms; // we loop through the original bonds to add copies for (Index i = 0; i < bondPairs.size(); ++i) { std::pair bond = bondPairs.at(i); for (unsigned j = 0; j < copies; ++j) { molecule.addBond(bond.first + j * numAtoms, bond.second + j * numAtoms, bondOrders.at(i)); } } // Now set the unit cell molecule.unitCell()->setAVector(newA); molecule.unitCell()->setBVector(newB); molecule.unitCell()->setCVector(newC); // We're done! return true; } namespace { struct TransformAtomsFunctor { TransformAtomsFunctor(const Matrix3& t) : transform(t) {} const Matrix3& transform; void operator()(Vector3& pos) { pos = transform * pos; } }; } // namespace bool CrystalTools::setCellMatrix(Molecule& molecule, const Matrix3& newCellColMatrix, Options opt) { if (opt & TransformAtoms && molecule.unitCell()) { const Matrix3 xform(newCellColMatrix * molecule.unitCell()->cellMatrix().inverse()); std::for_each(molecule.atomPositions3d().begin(), molecule.atomPositions3d().end(), TransformAtomsFunctor(xform)); } if (!molecule.unitCell()) molecule.setUnitCell(new UnitCell); molecule.unitCell()->setCellMatrix(newCellColMatrix); return true; } namespace { struct FractionalCoordinatesFunctor { const UnitCell& unitCell; FractionalCoordinatesFunctor(const UnitCell& uc) : unitCell(uc) {} void operator()(Vector3& pos) { unitCell.toFractional(pos, pos); } }; } // namespace bool CrystalTools::fractionalCoordinates(const UnitCell& unitCell, const Array& cart, Array& frac) { if (&frac != &cart) // avoid self-copy... frac = cart; std::for_each(frac.begin(), frac.end(), FractionalCoordinatesFunctor(unitCell)); return true; } bool CrystalTools::fractionalCoordinates(const Molecule& molecule, Array& coords) { if (!molecule.unitCell()) return false; coords = molecule.atomPositions3d(); coords.resize(molecule.atomCount()); return fractionalCoordinates(*molecule.unitCell(), coords, coords); } namespace { struct SetFractionalCoordinatesFunctor { const UnitCell& unitCell; SetFractionalCoordinatesFunctor(const Molecule& molecule) : unitCell(*molecule.unitCell()) { } Vector3 operator()(const Vector3& pos) { return unitCell.toCartesian(pos); } }; } // namespace bool CrystalTools::setFractionalCoordinates(Molecule& molecule, const Array& coords) { if (!molecule.unitCell()) return false; if (coords.size() != molecule.atomCount()) return false; Array& output = molecule.atomPositions3d(); output.resize(coords.size()); std::transform(coords.begin(), coords.end(), output.begin(), SetFractionalCoordinatesFunctor(molecule)); return true; } } // namespace Avogadro::Core avogadrolibs-1.100.0/avogadro/core/crystaltools.h000066400000000000000000000136441474375334400220200ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_CRYSTALTOOLS_H #define AVOGADRO_CORE_CRYSTALTOOLS_H #include "avogadrocoreexport.h" #include "array.h" #include "avogadrocore.h" #include "matrix.h" #include "vector.h" namespace Avogadro::Core { class Molecule; class UnitCell; /** * @class CrystalTools crystaltools.h * @brief The CrystalTools class contains a collection of static functions * that perform common crystallographic operations on a Core::Molecule. */ class AVOGADROCORE_EXPORT CrystalTools { public: /** * @brief The Option enum provides bitwise option flags for the various * algorithms. */ enum Option { /** No options specified. */ None = 0x0, /** Transform atoms along with the unit cell. */ TransformAtoms = 0x1 }; using Options = int; /** * Adjust the atomic positions in @a molecule so that the fractional (lattice) * coordinates of all atoms are in the range [0, 1]. * @return True on success, false otherwise. */ static bool wrapAtomsToUnitCell(Molecule& molecule); /** * This function will rotate the input molecule so that the unit cell's 'a' * vector is aligned to the x-axis, and the 'b' axis is in the xy-plane. It * does not use trig functions or the cell parameters, since such * implementations are fragile and cannot handle negative cell angles. The * derivation of this algorithm can be found at * http://xtalopt.openmolecules.net/misc/rotateToStdOrientation.pdf. * * @param opts If TransformAtoms is specified, the atoms in @a molecule are * rotated along with the unit cell. * @return True on success, false otherwise. */ static bool rotateToStandardOrientation(Molecule& molecule, Options opts = None); /** * Isotropically scale the volume of the unit cell in @a molecule to @a * newVolume (in cubic angstrom). * @param opts If TransformAtoms is specified, the atoms in @a molecule are * adjusted so that their fractional (lattice) coordinates are preserved. * @return True on success, false on failure. */ static bool setVolume(Molecule& molecule, Real newVolume, Options opts = None); /** * Perform a Niggli reduction on @a molecule's unit cell. This produces a * canonical unit cell representation that strives to be as cubic as possible. * @note Implements the niggli reduction algorithm detailed in: * Grosse-Kunstleve RW, Sauter NK, Adams PD. Numerically stable * algorithms for the computation of reduced unit cells. Acta * Crystallographica Section A Foundations of * Crystallography. 2003;60(1):1-6. * @param opts If TransformAtoms is specified, the atom positions are modified * to ensure that the same extended atomic structure from the input is * represented by the output. * @return True on success, false on failure. */ static bool niggliReduce(Molecule& molecule, Options opts = None); /** * Return true if the unit cell in @a molecule is already Niggli-reduced. This * method checks the conditions listed in the paper Gruber B.. Acta Cryst. A. * 1973;29(4):433-440. */ static bool isNiggliReduced(const Molecule& mol); /** * Build a supercell by expanding upon the unit cell of @a molecule. It will * only return false if the molecule does not have a unit cell or if a, b, or * c is set to zero. * @param a The number of units along lattice vector a for the supercell * @param b The number of units along lattice vector b for the supercell * @param c The number of units along lattice vector c for the supercell * @return True on success, false on failure. */ static bool buildSupercell(Molecule& molecule, unsigned int a, unsigned int b, unsigned int c); /** * Set the unit cell in @a molecule to represent the real-space column-vector * unit cell description in @a newCellColMatrix. A unit cell is created if * needed. * @param opt If TransformAtoms is specified, the atoms in @a molecule are * adjusted so that their fractional (lattice) coordinates are preserved. This * option is ignored if the input molecule has no unit cell. * @return True on success, false otherwise. */ static bool setCellMatrix(Molecule& molecule, const Matrix3& newCellColMatrix, Options opt = None); /** * Populate the @a frac vector with the fractional representation of the * cartesian coordinates in @a cart, using @a unitCell to perform the * coordinate transformation. * @return True on success, false otherwise. */ static bool fractionalCoordinates(const UnitCell& unitCell, const Array& cart, Array& frac); /** * Populate the @a coords vector with the fractional coordinates of the atoms * in @a molecule, using the unit cell of @a molecule to perform the * coordinate transformation. Coordinates are ordered the same as the * Molecule::atomPositions3d() result. * @return True on success, false otherwise. */ static bool fractionalCoordinates(const Molecule& molecule, Array& coords); /** * Set the atomic positions of @a molecule to the fractional coordinates in * @a coords, using the unit cell of @a molecule to perform the coordinate * transformation. * @return */ static bool setFractionalCoordinates(Molecule& molecule, const Array& coords); private: CrystalTools(); // not implemented ~CrystalTools(); // not implemented }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_CRYSTALTOOLS_H avogadrolibs-1.100.0/avogadro/core/cube.cpp000066400000000000000000000322411474375334400205210ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "cube.h" #include "molecule.h" #include "mutex.h" namespace Avogadro::Core { Cube::Cube() : m_data(0), m_min(0.0, 0.0, 0.0), m_max(0.0, 0.0, 0.0), m_spacing(0.0, 0.0, 0.0), m_points(0, 0, 0), m_minValue(0.0), m_maxValue(0.0), m_cubeType(None), m_lock(new Mutex) { } Cube::~Cube() { delete m_lock; m_lock = nullptr; } bool Cube::setLimits(const Vector3& min_, const Vector3& max_, const Vector3i& points) { // We can calculate all necessary properties and initialise our data Vector3 delta = max_ - min_; m_spacing = Vector3(delta.x() / (points.x() - 1), delta.y() / (points.y() - 1), delta.z() / (points.z() - 1)); m_min = min_; m_max = max_; m_points = points; m_data.resize(m_points.x() * m_points.y() * m_points.z()); return true; } bool Cube::setLimits(const Vector3& min_, const Vector3& max_, float spacing_) { Vector3 delta = max_ - min_; delta = delta / spacing_; return setLimits(min_, max_, delta.cast()); } bool Cube::setLimits(const Vector3& min_, const Vector3i& dim, float spacing_) { return setLimits(min_, dim, Vector3(spacing_, spacing_, spacing_)); } bool Cube::setLimits(const Vector3& min_, const Vector3i& dim, const Vector3& spacing_) { Vector3 max_ = Vector3(min_.x() + (dim.x() - 1) * spacing_[0], min_.y() + (dim.y() - 1) * spacing_[1], min_.z() + (dim.z() - 1) * spacing_[2]); m_min = min_; m_max = max_; m_points = dim; m_spacing = spacing_; m_data.resize(m_points.x() * m_points.y() * m_points.z()); return true; } bool Cube::setLimits(const Cube& cube) { m_min = cube.m_min; m_max = cube.m_max; m_points = cube.m_points; m_spacing = cube.m_spacing; m_data.resize(m_points.x() * m_points.y() * m_points.z()); return true; } bool Cube::setLimits(const Molecule& mol, float spacing_, float padding) { Index numAtoms = mol.atomCount(); Vector3 min_, max_; if (numAtoms) { Vector3 curPos = min_ = max_ = mol.atomPositions3d()[0]; for (Index i = 1; i < numAtoms; ++i) { curPos = mol.atomPositions3d()[i]; if (curPos.x() < min_.x()) min_.x() = curPos.x(); if (curPos.x() > max_.x()) max_.x() = curPos.x(); if (curPos.y() < min_.y()) min_.y() = curPos.y(); if (curPos.y() > max_.y()) max_.y() = curPos.y(); if (curPos.z() < min_.z()) min_.z() = curPos.z(); if (curPos.z() > max_.z()) max_.z() = curPos.z(); } } else { min_ = max_ = Vector3::Zero(); } // Now to take care of the padding term min_ += Vector3(-padding, -padding, -padding); max_ += Vector3(padding, padding, padding); return setLimits(min_, max_, spacing_); } std::vector* Cube::data() { return &m_data; } const std::vector* Cube::data() const { return &m_data; } bool Cube::setData(const std::vector& values) { if (!values.size()) return false; if (static_cast(values.size()) == m_points.x() * m_points.y() * m_points.z()) { m_data = values; // Now to update the minimum and maximum values m_minValue = m_maxValue = m_data[0]; for (float value : values) { if (value < m_minValue) m_minValue = value; else if (value > m_maxValue) m_maxValue = value; } return true; } else { return false; } } bool Cube::addData(const std::vector& values) { // Initialise the cube to zero if necessary if (!m_data.size()) m_data.resize(m_points.x() * m_points.y() * m_points.z()); if (values.size() != m_data.size() || !values.size()) return false; for (unsigned int i = 0; i < m_data.size(); i++) { m_data[i] += values[i]; if (m_data[i] < m_minValue) m_minValue = m_data[i]; else if (m_data[i] > m_maxValue) m_maxValue = m_data[i]; } return true; } unsigned int Cube::closestIndex(const Vector3& pos) const { int i, j, k; // Calculate how many steps each coordinate is along its axis i = int((pos.x() - m_min.x()) / m_spacing.x()); j = int((pos.y() - m_min.y()) / m_spacing.y()); k = int((pos.z() - m_min.z()) / m_spacing.z()); return i * m_points.y() * m_points.z() + j * m_points.z() + k; } Vector3i Cube::indexVector(const Vector3& pos) const { // Calculate how many steps each coordinate is along its axis int i, j, k; i = int((pos.x() - m_min.x()) / m_spacing.x()); j = int((pos.y() - m_min.y()) / m_spacing.y()); k = int((pos.z() - m_min.z()) / m_spacing.z()); return Vector3i(i, j, k); } Vector3 Cube::position(unsigned int index) const { int x, y, z; x = int(index / (m_points.y() * m_points.z())); y = int((index - (x * m_points.y() * m_points.z())) / m_points.z()); z = index % m_points.z(); return Vector3(x * m_spacing.x() + m_min.x(), y * m_spacing.y() + m_min.y(), z * m_spacing.z() + m_min.z()); } float Cube::value(int i, int j, int k) const { unsigned int index = i * m_points.y() * m_points.z() + j * m_points.z() + k; if (index < m_data.size()) return m_data[index]; else return 0.0; } std::array Cube::computeGradient(int i, int j, int k) const { int nx = m_points.x(); int ny = m_points.y(); int nz = m_points.z(); int dataIdx = (i * ny * nz) + (j * nz) + k; std::array, 3> x; std::array run; // X-direction if (i == 0) { x[0][0] = m_data[dataIdx + ny * nz]; x[0][1] = m_data[dataIdx]; run[0] = m_spacing.x(); } else if (i == (nx - 1)) { x[0][0] = m_data[dataIdx]; x[0][1] = m_data[dataIdx - ny * nz]; run[0] = m_spacing.x(); } else { x[0][0] = m_data[dataIdx + ny * nz]; x[0][1] = m_data[dataIdx - ny * nz]; run[0] = 2 * m_spacing.x(); } // Y-direction if (j == 0) { x[1][0] = m_data[dataIdx + nz]; x[1][1] = m_data[dataIdx]; run[1] = m_spacing.y(); } else if (j == (ny - 1)) { x[1][0] = m_data[dataIdx]; x[1][1] = m_data[dataIdx - nz]; run[1] = m_spacing.y(); } else { x[1][0] = m_data[dataIdx + nz]; x[1][1] = m_data[dataIdx - nz]; run[1] = 2 * m_spacing.y(); } // Z-direction if (k == 0) { x[2][0] = m_data[dataIdx + 1]; x[2][1] = m_data[dataIdx]; run[2] = m_spacing.z(); } else if (k == (nz - 1)) { x[2][0] = m_data[dataIdx]; x[2][1] = m_data[dataIdx - 1]; run[2] = m_spacing.z(); } else { x[2][0] = m_data[dataIdx + 1]; x[2][1] = m_data[dataIdx - 1]; run[2] = 2 * m_spacing.z(); } std::array ret; ret[0] = (x[0][1] - x[0][0]) / run[0]; ret[1] = (x[1][1] - x[1][0]) / run[1]; ret[2] = (x[2][1] - x[2][0]) / run[2]; return ret; } std::array, 8> Cube::getGradCube(int i, int j, int k) const { std::array, 8> grad; grad[0] = computeGradient(i, j, k); grad[1] = computeGradient(i + 1, j, k); grad[2] = computeGradient(i + 1, j + 1, k); grad[3] = computeGradient(i, j + 1, k); grad[4] = computeGradient(i, j, k + 1); grad[5] = computeGradient(i + 1, j, k + 1); grad[6] = computeGradient(i + 1, j + 1, k + 1); grad[7] = computeGradient(i, j + 1, k + 1); return grad; } std::array Cube::getValsCube(int i, int j, int k) const { std::array vals; vals[0] = getData(i, j, k); vals[1] = getData(i + 1, j, k); vals[2] = getData(i + 1, j + 1, k); vals[3] = getData(i, j + 1, k); vals[4] = getData(i, j, k + 1); vals[5] = getData(i + 1, j, k + 1); vals[6] = getData(i + 1, j + 1, k + 1); vals[7] = getData(i, j + 1, k + 1); return vals; } float Cube::getData(int i, int j, int k) const { int nx = m_points.x(); int ny = m_points.y(); int nz = m_points.z(); return m_data[(i * ny * nz) + (j * nz) + k]; } std::array, 8> Cube::getPosCube(int i, int j, int k) const { std::array, 8> pos; float xpos = m_min.x() + (i * m_spacing.x()); float ypos = m_min.y() + (j * m_spacing.y()); float zpos = m_min.z() + (k * m_spacing.z()); pos[0][0] = xpos; pos[0][1] = ypos; pos[0][2] = zpos; pos[1][0] = xpos + m_spacing.x(); pos[1][1] = ypos; pos[1][2] = zpos; pos[2][0] = xpos + m_spacing.x(); pos[2][1] = ypos + m_spacing.y(); pos[2][2] = zpos; pos[3][0] = xpos; pos[3][1] = ypos + m_spacing.y(); pos[3][2] = zpos; pos[4][0] = xpos; pos[4][1] = ypos; pos[4][2] = zpos + m_spacing.z(); pos[5][0] = xpos + m_spacing.x(); pos[5][1] = ypos; pos[5][2] = zpos + m_spacing.z(); pos[6][0] = xpos + m_spacing.x(); pos[6][1] = ypos + m_spacing.y(); pos[6][2] = zpos + m_spacing.z(); pos[7][0] = xpos; pos[7][1] = ypos + m_spacing.y(); pos[7][2] = zpos + m_spacing.z(); return pos; } float Cube::value(const Vector3i& pos) const { unsigned int index = pos.x() * m_points.y() * m_points.z() + pos.y() * m_points.z() + pos.z(); if (index < m_data.size()) return m_data[index]; else return 6969.0; } float Cube::valuef(const Vector3f& pos) const { // This is a really expensive operation and so should be avoided // Interpolate the value at the supplied vector - trilinear interpolation... Vector3f delta = pos - m_min.cast(); // Find the integer low and high corners Vector3i lC(static_cast(delta.x() / m_spacing.x()), static_cast(delta.y() / m_spacing.y()), static_cast(delta.z() / m_spacing.z())); Vector3i hC(lC.x() + 1, lC.y() + 1, lC.z() + 1); // So there are six corners in total - work out the delta of the position // and the low corner const Vector3f lCf(lC.cast()); const Vector3f spacingf(m_spacing.cast()); Vector3f P((delta.x() - lCf.x() * spacingf.x()) / spacingf.x(), (delta.y() - lCf.y() * spacingf.y()) / spacingf.y(), (delta.z() - lCf.z() * spacingf.z()) / spacingf.z()); Vector3f dP = Vector3f(1.0f, 1.0f, 1.0f) - P; // Now calculate and return the interpolated value return static_cast( value(lC.x(), lC.y(), lC.z()) * dP.x() * dP.y() * dP.z() + value(hC.x(), lC.y(), lC.z()) * P.x() * dP.y() * dP.z() + value(lC.x(), hC.y(), lC.z()) * dP.x() * P.y() * dP.z() + value(lC.x(), lC.y(), hC.z()) * dP.x() * dP.y() * P.z() + value(hC.x(), lC.y(), hC.z()) * P.x() * dP.y() * P.z() + value(lC.x(), hC.y(), hC.z()) * dP.x() * P.y() * P.z() + value(hC.x(), hC.y(), lC.z()) * P.x() * P.y() * dP.z() + value(hC.x(), hC.y(), hC.z()) * P.x() * P.y() * P.z()); } float Cube::value(const Vector3& pos) const { // This is a really expensive operation and so should be avoided // Interpolate the value at the supplied vector - trilinear interpolation... Vector3 delta = pos - m_min; // Find the integer low and high corners Vector3i lC(static_cast(delta.x() / m_spacing.x()), static_cast(delta.y() / m_spacing.y()), static_cast(delta.z() / m_spacing.z())); Vector3i hC(lC.x() + 1, lC.y() + 1, lC.z() + 1); // So there are six corners in total - work out the delta of the position // and the low corner Vector3 P((delta.x() - lC.x() * m_spacing.x()) / m_spacing.x(), (delta.y() - lC.y() * m_spacing.y()) / m_spacing.y(), (delta.z() - lC.z() * m_spacing.z()) / m_spacing.z()); Vector3 dP = Vector3(1.0, 1.0, 1.0) - P; // Now calculate and return the interpolated value return value(lC.x(), lC.y(), lC.z()) * dP.x() * dP.y() * dP.z() + value(hC.x(), lC.y(), lC.z()) * P.x() * dP.y() * dP.z() + value(lC.x(), hC.y(), lC.z()) * dP.x() * P.y() * dP.z() + value(lC.x(), lC.y(), hC.z()) * dP.x() * dP.y() * P.z() + value(hC.x(), lC.y(), hC.z()) * P.x() * dP.y() * P.z() + value(lC.x(), hC.y(), hC.z()) * dP.x() * P.y() * P.z() + value(hC.x(), hC.y(), lC.z()) * P.x() * P.y() * dP.z() + value(hC.x(), hC.y(), hC.z()) * P.x() * P.y() * P.z(); } bool Cube::setValue(unsigned int i, unsigned int j, unsigned int k, float value_) { unsigned int index = i * m_points.y() * m_points.z() + j * m_points.z() + k; if (index >= m_data.size()) return false; m_data[index] = value_; if (value_ < m_minValue) m_minValue = value_; else if (value_ > m_maxValue) m_maxValue = value_; return true; } void Cube::fill(float value_) { std::fill(m_data.begin(), m_data.end(), value_); m_minValue = m_maxValue = value_; } bool Cube::fillStripe( unsigned int i, unsigned int j, unsigned int kfirst, unsigned int klast, float value_ ) { unsigned int stripeStartIndex = i * m_points.y() * m_points.z() + j * m_points.z(); unsigned int firstIndex = stripeStartIndex + kfirst; if (firstIndex >= m_data.size()) return false; unsigned int lastIndex = stripeStartIndex + klast; if (lastIndex >= m_data.size()) return false; std::fill(&m_data[firstIndex], &m_data[lastIndex+1], value_); return true; } } // End Avogadro namespaceavogadrolibs-1.100.0/avogadro/core/cube.h000066400000000000000000000213411474375334400201650ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_CUBE_H #define AVOGADRO_CORE_CUBE_H #include "avogadrocoreexport.h" #include "vector.h" #include #include namespace Avogadro::Core { class Molecule; class Mutex; /** * @class Cube cube.h * @brief Provide a data structure for regularly spaced 3D grids. * @author Marcus D. Hanwell * @author Perminder Singh */ class AVOGADROCORE_EXPORT Cube { public: Cube(); ~Cube(); /** * \enum Type * Different Cube types relating to the data */ enum Type { VdW, SolventAccessible, SolventExcluded, ESP, ElectronDensity, SpinDensity, MO, FromFile, None }; /** * @return The minimum point in the cube. */ Vector3 min() const { return m_min; } /** * @return The maximum point in the cube. */ Vector3 max() const { return m_max; } /** * @return The spacing of the grid. */ Vector3 spacing() const { return m_spacing; } /** * @return The x, y and z dimensions of the cube. */ Vector3i dimensions() const { return m_points; } /** * Set the limits of the cube. * @param min The minimum point in the cube. * @param max The maximum point in the cube. * @param points The number of (integer) points in the cube. */ bool setLimits(const Vector3& min, const Vector3& max, const Vector3i& points); /** * Set the limits of the cube. * @param min The minimum point in the cube. * @param max The maximum point in the cube. * @param spacing The interval between points in the cube. */ bool setLimits(const Vector3& min, const Vector3& max, float spacing); /** * Set the limits of the cube. * @param min The minimum point in the cube. * @param dim The integer dimensions of the cube in x, y and z. * @param spacing The interval between points in the cube. */ bool setLimits(const Vector3& min, const Vector3i& dim, float spacing); /** * Set the limits of the cube. * @param min The minimum point in the cube. * @param dim The integer dimensions of the cube in x, y and z. * @param spacing The interval between points in the cube. */ bool setLimits(const Vector3& min, const Vector3i& dim, const Vector3& spacing); /** * Set the limits of the cube - copy the limits of an existing Cube. * @param cube Existing Cube to copy the limits from. */ bool setLimits(const Cube& cube); /** * Set the limits of the cube. * @param mol Molecule to take limits from * @param spacing The spacing of the regular grid * @param padding Padding around the molecule */ bool setLimits(const Molecule& mol, float spacing, float padding); /** * @return Pointer to the vector containing all the data in a one-dimensional array. */ std::vector* data(); const std::vector* data() const; /** * Set the values in the cube to those passed in the vector. */ bool setData(const std::vector& values); /** * Adds the values in the cube to those passed in the vector. */ bool addData(const std::vector& values); /** * @return Const iterator to the beginning of a specific row in the cube data. */ std::vector::const_iterator getRowIter(int j, int k) const; /** * @return Index of the point closest to the position supplied. * @param pos Position to get closest index for. */ unsigned int closestIndex(const Vector3& pos) const; /** * @param pos Position to get closest index for. * @return The i, j, k index closest to the position supplied. */ Vector3i indexVector(const Vector3& pos) const; /** * @param index Index to be translated to a position. * @return Position of the given index. */ Vector3 position(unsigned int index) const; /** * This function is very quick as it just returns the value at the point. * @return Cube value at the integer point i, j, k. */ float value(int i, int j, int k) const; /** * This function is very quick as it just returns the value at the point. * @return Cube value at the integer point pos. */ float value(const Vector3i& pos) const; /** * This function uses trilinear interpolation to find the value at points * between those specified in the cube. * @return Cube value at the specified position. * @warning This function is quite computationally expensive and should be * avoided where possible. */ float valuef(const Vector3f& pos) const; /** * This function uses trilinear interpolation to find the value at points * between those specified in the cube. * @return Cube value at the specified position. * @warning This function is quite computationally expensive and should be * avoided where possible. */ float value(const Vector3& pos) const; /** * Sets the value at the specified point in the cube. * @param i x component of the position. * @param j y component of the position. * @param k z component of the position. * @param value Value at the specified position. */ bool setValue(unsigned int i, unsigned int j, unsigned int k, float value); /** * Sets the value at the specified index in the cube. * @param i 1-dimensional index of the point to set in the cube. */ bool setValue(unsigned int i, float value); /** * Sets all indices in the cube to the specified value. * @param value Value to fill the cube with. */ void fill(float value); /** * Sets all indices in a Z stripe of the cube to the specified value. * @param i x component of the position. * @param j y component of the position. * @param kfirst first z position to fill. * @param klast last z position to fill. * @param value Value to fill the stripe with. */ bool fillStripe( unsigned int i, unsigned int j, unsigned int kfirst, unsigned int klast, float value ); /** * @return The minimum value at any point in the Cube. */ float minValue() const { return m_minValue; } /** * @return The maximum value at any point in the Cube. */ float maxValue() const { return m_maxValue; } void setName(const std::string& name_) { m_name = name_; } std::string name() const { return m_name; } void setCubeType(Type type) { m_cubeType = type; } Type cubeType() const { return m_cubeType; } /** * Provides locking. */ Mutex* lock() const { return m_lock; } /** * Compute the gradient at a specific point in the cube. * @param i x index * @param j y index * @param k z index * @return Gradient vector at the specified point. */ std::array computeGradient(int i, int j, int k) const; /** * Get the values of the eight corners of a cube defined by the indices (i, j, k). * @param i x index * @param j y index * @param k z index * @return Array of values at the eight corners. */ std::array getValsCube(int i, int j, int k) const; /** * Get the gradients at the eight corners of the cube defined by the indices (i, j, k). * @param i x index * @param j y index * @param k z index * @return Array of gradients at the eight corners. Each gradient is a 3D vector. */ std::array, 8> getGradCube(int i, int j, int k) const; /** * Get the data value at the specified indices. * @param i x index * @param j y index * @param k z index * @return Value at the specified indices. */ float getData(int i, int j, int k) const; /** * Retrieves the positions of the eight corners of a cube at grid indices (i, j, k). * * The indices (i, j, k) are converted to real-space positions (xpos, ypos, zpos), mapping grid indices to physical coordinates. * The method returns a cube that spans one step in each of the x, y, and z directions, with step sizes defined by `m_spacing`. * * @param i X-index. * @param j Y-index. * @param k Z-index. * @return A `std::array` of eight `(x, y, z)` coordinates representing the cube's corners. */ std::array, 8> getPosCube(int i, int j, int k) const; protected: std::vector m_data; Vector3 m_min, m_max, m_spacing; Vector3i m_points; float m_minValue, m_maxValue; std::string m_name; Type m_cubeType; Mutex* m_lock; }; inline bool Cube::setValue(unsigned int i, float value_) { if (i < m_data.size()) { m_data[i] = value_; if (value_ > m_maxValue) m_maxValue = value_; if (value_ < m_minValue) m_minValue = value_; return true; } else return false; } } // namespace Avogadro::Core #endif // AVOGADRO_CORE_CUBE_H avogadrolibs-1.100.0/avogadro/core/dihedraliterator.cpp000066400000000000000000000100131474375334400231220ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "dihedraliterator.h" #include #include namespace Avogadro::Core { DihedralIterator::DihedralIterator(const Molecule* mol) : m_current(0, 0, 0, 0), m_mol(mol) {} Dihedral DihedralIterator::begin() { if (m_mol == nullptr) return std::make_tuple(MaxIndex, MaxIndex, MaxIndex, MaxIndex); // Loop through bonds until we get one with a-b-c-d Graph graph = m_mol->graph(); Index bondCount = m_mol->bondCount(); if (bondCount > 3) { // need at least a-b-c-d to have a dihedral bool valid = false; for (Index bcBond = 0; bcBond < bondCount; ++bcBond) { auto bc = m_mol->bondPair(bcBond); Index b = bc.first; Index c = bc.second; // find an a Index a = 0; for (const auto maybeA : graph.neighbors(b)) { if (maybeA != c) { a = maybeA; valid = true; // maybe break; } } if (!valid) continue; // need to find a new bond with real neighbors // try to find a new d for (const auto maybeD : graph.neighbors(c)) { if (maybeD != b && maybeD != a) { m_current = std::make_tuple(a, b, c, maybeD); return m_current; // done } } // didn't find a good "d", so try a new bond valid = false; } } // we couldn't find a valid dihedral (e.g., small molecule, single atom) return std::make_tuple(MaxIndex, MaxIndex, MaxIndex, MaxIndex); } Dihedral DihedralIterator::operator++() { if (m_mol == nullptr) return std::make_tuple(MaxIndex, MaxIndex, MaxIndex, MaxIndex); Index a, b, c, d; std::tie(a, b, c, d) = m_current; Graph graph = m_mol->graph(); // we start at a good state (i.e., we have a valid dihedral) bool valid = (b != c && b != MaxIndex); Index bondCount = m_mol->bondCount(); Index bcBond = 0; do { // b-c bond if (valid) { // we have a valid current dihedral, try to find a new "d" for (const auto maybeD : graph.neighbors(c)) { if (maybeD != a && maybeD != b && maybeD > d) { m_current = std::make_tuple(a, b, c, maybeD); return m_current; } } // end "d" loop valid = false; // we couldn't find a "d", so find a new "a" } // end if() // try to find a new "a" for (const auto maybeA : graph.neighbors(b)) { if (maybeA != c && maybeA > a) { a = maybeA; d = 0; valid = true; // maybe break; } } // find our current bond and go to the next if (!valid) { bool nextBond = false; for (bcBond = 0; bcBond < bondCount; ++bcBond) { auto bc = m_mol->bondPair(bcBond); Index maybeB = bc.first; Index maybeC = bc.second; if (nextBond) { b = maybeB; c = maybeC; // find an a for (const auto maybeA : graph.neighbors(b)) { if (maybeA != c) { a = maybeA; valid = true; // maybe break; } } if (!valid) { continue; // need to find a new bond with real neighbors } // try to find a new d for (const auto maybeD : graph.neighbors(c)) { if (maybeD != b && maybeD != a) { m_current = std::make_tuple(a, b, c, maybeD); return m_current; // done } } // didn't find a good "d", so try a new bond break; } if (!nextBond && maybeB == b && maybeC == c) { // found current bond nextBond = true; } } valid = nextBond; } } while (valid && bcBond < bondCount); // can't find anything return std::make_tuple(MaxIndex, MaxIndex, MaxIndex, MaxIndex); } // end ++ operator } // namespace Avogadro::Core avogadrolibs-1.100.0/avogadro/core/dihedraliterator.h000066400000000000000000000021731474375334400225770ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_DIHEDRALITERATOR_H #define AVOGADRO_CORE_DIHEDRALITERATOR_H #include "avogadrocoreexport.h" #include "avogadrocore.h" #include namespace Avogadro::Core { class Molecule; using Dihedral = std::tuple; class AVOGADROCORE_EXPORT DihedralIterator { public: /** * Constructor. */ DihedralIterator(const Molecule *mol); ~DihedralIterator() = default; Dihedral* operator*() { return &m_current; } Dihedral begin(); Dihedral end() const { return std::make_tuple(MaxIndex, MaxIndex, MaxIndex, MaxIndex); } Dihedral operator++(); bool operator!=(const DihedralIterator& other ) { return m_current != other.m_current; } private: Dihedral m_current; const Molecule* m_mol; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_DIHEDRALITERATOR_H avogadrolibs-1.100.0/avogadro/core/elementdata.h000066400000000000000000000244451474375334400215420ustar00rootroot00000000000000#ifndef AVOGADRO_CORE_ELEMENTS_DATA #define AVOGADRO_CORE_ELEMENTS_DATA namespace Avogadro::Core { const char* element_symbols[] = { "Xx", "H", "He", "Li", "Be", "B", "C", "N", "O", "F", "Ne", "Na", "Mg", "Al", "Si", "P", "S", "Cl", "Ar", "K", "Ca", "Sc", "Ti", "V", "Cr", "Mn", "Fe", "Co", "Ni", "Cu", "Zn", "Ga", "Ge", "As", "Se", "Br", "Kr", "Rb", "Sr", "Y", "Zr", "Nb", "Mo", "Tc", "Ru", "Rh", "Pd", "Ag", "Cd", "In", "Sn", "Sb", "Te", "I", "Xe", "Cs", "Ba", "La", "Ce", "Pr", "Nd", "Pm", "Sm", "Eu", "Gd", "Tb", "Dy", "Ho", "Er", "Tm", "Yb", "Lu", "Hf", "Ta", "W", "Re", "Os", "Ir", "Pt", "Au", "Hg", "Tl", "Pb", "Bi", "Po", "At", "Rn", "Fr", "Ra", "Ac", "Th", "Pa", "U", "Np", "Pu", "Am", "Cm", "Bk", "Cf", "Es", "Fm", "Md", "No", "Lr", "Rf", "Db", "Sg", "Bh", "Hs", "Mt", "Ds", "Rg", "Cn", "Nh", "Fl", "Mc", "Lv", "Ts", "Og" }; const char* element_names[] = { "Dummy", "Hydrogen", "Helium", "Lithium", "Beryllium", "Boron", "Carbon", "Nitrogen", "Oxygen", "Fluorine", "Neon", "Sodium", "Magnesium", "Aluminium", "Silicon", "Phosphorus", "Sulfur", "Chlorine", "Argon", "Potassium", "Calcium", "Scandium", "Titanium", "Vanadium", "Chromium", "Manganese", "Iron", "Cobalt", "Nickel", "Copper", "Zinc", "Gallium", "Germanium", "Arsenic", "Selenium", "Bromine", "Krypton", "Rubidium", "Strontium", "Yttrium", "Zirconium", "Niobium", "Molybdenum", "Technetium", "Ruthenium", "Rhodium", "Palladium", "Silver", "Cadmium", "Indium", "Tin", "Antimony", "Tellurium", "Iodine", "Xenon", "Caesium", "Barium", "Lanthanum", "Cerium", "Praseodymium", "Neodymium", "Promethium", "Samarium", "Europium", "Gadolinium", "Terbium", "Dysprosium", "Holmium", "Erbium", "Thulium", "Ytterbium", "Lutetium", "Hafnium", "Tantalum", "Tungsten", "Rhenium", "Osmium", "Iridium", "Platinum", "Gold", "Mercury", "Thallium", "Lead", "Bismuth", "Polonium", "Astatine", "Radon", "Francium", "Radium", "Actinium", "Thorium", "Protactinium", "Uranium", "Neptunium", "Plutonium", "Americium", "Curium", "Berkelium", "Californium", "Einsteinium", "Fermium", "Mendelevium", "Nobelium", "Lawrencium", "Rutherfordium", "Dubnium", "Seaborgium", "Bohrium", "Hassium", "Meitnerium", "Darmstadtium", "Roentgenium", "Copernicium", "Nihonium", "Flerovium", "Moscovium", "Livermorium", "Tennessine", "Oganesson" }; double element_masses[] = { // from IUPAC (2021 set) https://doi.org/10.1515/pac-2019-0603 // https://iupac.org/what-we-do/periodic-table-of-elements/ // https://iupac.qmul.ac.uk/AtWt/ // For Ar and Pb which are now ranges, we use the "abridged value" 0, 1.00784, 4.002602, 6.94, 9.012183, 10.81, 12.011, 14.007, 15.999, 18.998403, 20.1797, 22.989769, 24.305, 26.981538, 28.085, 30.973762, 32.06, 35.45, 39.94, 39.0983, 40.078, 44.955908, 47.867, 50.9415, 51.9961, 54.938043, 55.845, 58.933194, 58.6934, 63.546, 65.38, 69.723, 72.630, 74.921595, 78.971, 79.904, 83.798, 85.4678, 87.62, 88.90584, 91.224, 92.90637, 95.95, 97, 101.07, 102.90549, 106.42, 107.8682, 112.414, 114.818, 118.710, 121.760, 127.60, 126.90447, 131.293, 132.90447, 137.327, 138.90547, 140.116, 140.90766, 144.242, 145, 150.36, 151.964, 157.25, 158.92535, 162.500, 164.93033, 167.259, 168.93422, 173.045, 174.9668, 178.486, 180.94788, 183.84, 186.207, 190.23, 192.217, 195.084, 196.966570, 200.592, 204.38, 207.2, 208.9804, 209, 210, 222, 223, 226, 227, 232.0377, 231.0358, 238.02891, 237, 244, 243, 247, 247, 251, 252, 257, 258, 259, 262, 267, 270, 269, 270, 270, 278, 281, 281, 285, 286, 289, 289, 293, 293, 294 }; unsigned char valence_electrons[] = { // some of these are debatable, but are intended as a reasonable start 0, 1, 0, // He 1, 2, 3, 4, 5, 6, 7, 8, // Ne 1, 2, 3, 4, 5, 6, 7, 8, // Ar 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 4, 5, 6, 7, 8, // Kr 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 4, 5, 6, 7, 8, // Xe 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2 }; double element_VDW[] = { // From Alvarez doi: 10.1039/C3DT50599E // Dalton Trans., 2013,42, 8617-8636 // Dummy, 1st row 0.69, 1.2, 1.43, // 2nd row (Li..Ne) 2.12, 1.98, 1.91, 1.77, 1.66, 1.50, 1.46, 1.58, // 3rd row (Na .. Ar) 2.50, 2.51, 2.25, 2.19, 1.90, 1.89, 1.82, 1.83, // 4th row (K, Ca) 2.73, 2.62, // 1st row TM (Sc.. Zn) 2.58, 2.46, 2.42, 2.45, 2.45, 2.44, 2.40, 2.40, 2.38, 2.39, // 4th row p-block (Ga .. Kr) 2.32, 2.29, 1.88, 1.82, 1.86, 2.25, // 5th row Rb, Sr 3.21, 2.84, // 2nd row TM (Y .. Cd) 2.75, 2.52, 2.56, 2.45, 2.44, 2.46, 2.44, 2.15, 2.53, 2.49, // 5th row p-block (Sn .. Xe) 2.43, 2.42, 2.47, 1.99, 2.04, 2.06, // 6th row Cs, Ba 3.48, 3.03, // Lanthanides (La..Gd) 2.98, 2.88, 2.92, 2.95, 2.90, 2.87, 2.83, // Lanthanides (Tb..Yb) 2.79, 2.87, 2.81, 2.83, 2.79, 2.80, // 3rd row TM (Lu..Hg) 2.74, 2.63, 2.53, 2.57, 2.49, 2.48, 2.41, 2.29, 2.32, 2.45, // 6th row p-block (Tl.. Bi) // 2.5 is a default here 2.47, 2.60, 2.54, 2.5, 2.5, 2.5, // 7th row // 2.5 is a default here 2.5, 2.5, // Actinides 2.8, 2.93, 2.88, 2.71, 2.82, 2.81, 2.83, 3.05, 3.38, 3.05, 3., 3., 3., 3., // Trans-actinides 3., 3., 3., 3., 3., 3., 3., 3., 3., 3., // 7th row p-block 3., 3., 3., 3., 3., 3., }; double element_covalent[] = { // From Pyykko doi: 10.1002/chem.200800987 // Dummy, 1st row 0.18, 0.32, 0.46, // 2nd row 1.33, 1.02, 0.85, 0.75, 0.71, 0.63, 0.64, 0.67, // 3rd row 1.55, 1.39, 1.26, 1.16, 1.11, 1.03, 0.99, 0.96, // 4th row K, Ca 1.96, 1.71, // 1st row TM (Sc.. Zn) 1.48, 1.36, 1.34, 1.22, 1.19, 1.16, 1.11, 1.10, 1.12, 1.18, // 4th row p-block (Ga..Kr) 1.24, 1.21, 1.21, 1.16, 1.14, 1.17, // 5th row Rb, Sr 2.10, 1.85, // 2nd row TM (Y..Cd) 1.63, 1.54, 1.47, 1.38, 1.28, 1.25, 1.25, 1.20, 1.28, 1.36, // 5th row p-block (In..Xe) 1.42, 1.40, 1.40, 1.36, 1.33, 1.31, // 6th row Cs, Ba 2.32, 1.96, // Lanthanides La..Gd 1.80, 1.63, 1.76, 1.74, 1.73, 1.72, 1.68, // Lanthanides Tb..Yb 1.69, 1.68, 1.67, 1.66, 1.65, 1.64, 1.70, // 3rd row TM (Lu..Hg) 1.62, 1.52, 1.46, 1.37, 1.31, 1.29, 1.22, 1.23, 1.24, 1.33, // 6th row p-block (Tl..Rn) 1.44, 1.44, 1.51, 1.45, 1.47, 1.42, // 7th row Fr, Ra 2.23, 2.01, // Actinides (Ac.. Am) 1.86, 1.75, 1.69, 1.70, 1.71, 1.72, 1.66, // Actinides (Cm..No) 1.66, 1.68, 1.68, 1.65, 1.67, 1.73, 1.76, // Trans-actinides 1.61, 1.57, 1.49, 1.43, 1.41, 1.34, 1.29, 1.28, 1.21, 1.22, 1.36, 1.43, 1.62, 1.75, 1.65, 1.57 }; unsigned char element_color[][3] = { // See, for example http://jmol.sourceforge.net/jscolors/index.en.html // Changes - H is not completely white to add contrast on light backgrounds // - C is slightly darker (i.e. 50% gray - consistent with Avo1) // - F is bluer to add contrast with Cl (e.g. CFC compounds) // # Du # H # He { 17, 127, 178 }, { 240, 240, 240 }, { 217, 255, 255 }, { 204, 128, 255 }, // # Be, B, C, N { 194, 255, 0 }, { 255, 181, 181 }, { 127, 127, 127 }, { 48, 80, 255 }, // # O, F, Ne, Na { 255, 13, 13 }, { 178, 255, 255 }, { 178, 227, 245 }, { 171, 91, 242 }, // # Mg { 138, 255, 0 }, { 191, 166, 166 }, { 240, 200, 160 }, { 255, 128, 0 }, // # S { 255, 255, 48 }, { 31, 240, 31 }, { 128, 209, 227 }, { 143, 64, 212 }, // # Ca { 61, 255, 0 }, { 230, 230, 230 }, { 191, 194, 199 }, { 166, 166, 171 }, // # Cr { 138, 153, 199 }, { 156, 122, 199 }, { 224, 102, 51 }, { 240, 144, 160 }, // # Ni { 80, 208, 80 }, { 200, 128, 51 }, { 125, 128, 176 }, { 194, 143, 143 }, // # Ge { 102, 143, 143 }, { 189, 128, 227 }, { 255, 161, 0 }, { 166, 41, 41 }, // # Kr { 92, 184, 209 }, { 112, 46, 176 }, { 0, 255, 0 }, { 148, 255, 255 }, // # Zr { 148, 224, 224 }, { 115, 194, 201 }, { 84, 181, 181 }, { 59, 158, 158 }, // # Ru { 36, 143, 143 }, { 10, 125, 140 }, { 0, 105, 133 }, { 192, 192, 192 }, // # Cd { 255, 217, 143 }, { 166, 117, 115 }, { 102, 128, 128 }, { 158, 99, 181 }, // # Te { 211, 122, 0 }, { 148, 0, 148 }, { 66, 158, 176 }, { 87, 23, 143 }, // # Ba { 0, 201, 0 }, { 112, 212, 255 }, { 255, 255, 199 }, { 217, 255, 199 }, // # Nd { 199, 255, 199 }, { 163, 255, 199 }, { 143, 255, 199 }, { 97, 255, 199 }, // # Gd { 69, 255, 199 }, { 48, 255, 199 }, { 31, 255, 199 }, { 0, 255, 156 }, // # Er { 0, 230, 117 }, { 0, 212, 82 }, { 0, 191, 56 }, { 0, 171, 36 }, // # Hf { 77, 194, 255 }, { 77, 166, 255 }, { 33, 148, 214 }, { 38, 102, 150 }, // # Os { 38, 102, 150 }, { 23, 84, 135 }, { 208, 208, 224 }, { 255, 209, 35 }, // # Hg { 184, 194, 208 }, { 166, 84, 77 }, { 87, 89, 97 }, { 158, 79, 181 }, // # Po { 171, 92, 0 }, { 117, 79, 69 }, { 66, 130, 150 }, { 66, 0, 102 }, { 0, 124, 0 }, { 112, 170, 249 }, { 0, 186, 255 }, { 0, 160, 255 }, { 0, 142, 255 }, { 0, 127, 255 }, { 0, 107, 255 }, { 84, 91, 242 }, { 119, 91, 226 }, { 137, 79, 226 }, { 160, 53, 211 }, { 178, 30, 211 }, { 178, 30, 186 }, { 178, 12, 165 }, { 188, 12, 135 }, { 198, 0, 102 }, { 204, 0, 89 }, { 209, 0, 79 }, { 216, 0, 68 }, { 224, 0, 56 }, { 229, 0, 45 }, { 232, 0, 38 }, { 234, 0, 35 }, { 237, 0, 33 }, { 239, 0, 30 }, { 242, 0, 28 }, { 244, 0, 25 }, { 247, 0, 22 }, { 249, 0, 20 }, { 252, 0, 17 }, { 255, 0, 15 } }; } // namespace Avogadro::Core #endif avogadrolibs-1.100.0/avogadro/core/elements.cpp000066400000000000000000000156631474375334400214300ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "elements.h" #include "avogadrocore.h" #include "elementdata.h" #include "utilities.h" #include #include #include using Avogadro::Core::isCustomElement; namespace Avogadro::Core { // Handle custom element identifiers: namespace { const static std::string CustomElementSymbolPrefix = "X"; const static std::string CustomElementNamePrefix = "CustomElement_"; static std::vector CustomElementSymbols; static std::vector CustomElementNames; // Match carbon's radii static double CustomElementCovalentRadius = element_covalent[6]; static double CustomElementVDWRadius = element_VDW[6]; inline std::string encodeCustomElement(unsigned char atomicNumber) { std::string result; if (isCustomElement(atomicNumber)) { result.resize(2); unsigned char index = atomicNumber - Avogadro::CustomElementMin; result[0] = 'a' + static_cast(index / 26); result[1] = 'a' + static_cast(index % 26); } return result; } inline unsigned char decodeCustomElement(const std::string& str) { if (str.size() == 2) { if (str[0] >= 'a' && str[0] <= 'z' && str[1] >= 'a' && str[1] <= 'z') { return CustomElementMin + static_cast(str[0] - 'a') * 26 + static_cast(str[1] - 'a'); } } return Avogadro::InvalidElement; } inline unsigned char interpretCustomElementName(const std::string& name) { if (startsWith(name, CustomElementNamePrefix)) { const std::string number(name.substr(CustomElementNamePrefix.size())); return decodeCustomElement(number); } return InvalidElement; } inline std::string createCustomElementName(unsigned char atomicNumber) { return CustomElementNamePrefix + encodeCustomElement(atomicNumber); } inline const char* customElementName(unsigned char atomicNumber) { return CustomElementNames[atomicNumber - CustomElementMin].c_str(); } inline unsigned char interpretCustomElementSymbol(const std::string& symbol) { if (symbol.size() == 3) return decodeCustomElement(symbol.substr(1)); return InvalidElement; } inline std::string createCustomElementSymbol(unsigned char atomicNumber) { return CustomElementSymbolPrefix + encodeCustomElement(atomicNumber); } inline const char* customElementSymbol(unsigned char atomicNumber) { return CustomElementSymbols[atomicNumber - CustomElementMin].c_str(); } inline unsigned char* customElementColor(unsigned char atomicNumber) { return Core::element_color[atomicNumber % element_count]; } // Initialize the static lookup tables. class InitializeCustomElementTables { public: InitializeCustomElementTables() { CustomElementSymbols.resize(CustomElementCount); CustomElementNames.resize(CustomElementCount); std::string suffix; for (unsigned char i = CustomElementMin; i <= CustomElementMax; ++i) { suffix = encodeCustomElement(i); CustomElementSymbols[i - CustomElementMin] = CustomElementSymbolPrefix + suffix; CustomElementNames[i - CustomElementMin] = CustomElementNamePrefix + suffix; } } } CustomElementTableInitializer; } // end anon namespace unsigned char Elements::elementCount() { return element_count; } unsigned char Elements::atomicNumberFromName(const std::string& name) { for (unsigned char i = 0; i < element_count; ++i) if (name == element_names[i]) return i; return interpretCustomElementName(name); } unsigned char Elements::atomicNumberFromSymbol(const std::string& symbol) { if (symbol.length() == 1) { switch (symbol[0]) { case 'H': return 1; case 'B': return 5; case 'C': return 6; case 'N': return 7; case 'O': return 8; case 'F': return 9; case 'P': return 15; case 'S': return 16; case 'K': return 19; case 'V': return 23; case 'Y': return 39; case 'I': return 53; case 'W': return 74; case 'U': return 92; default: return InvalidElement; } } else { for (unsigned char i = 0; i < element_count; ++i) if (symbol == element_symbols[i]) return i; return interpretCustomElementSymbol(symbol); } } unsigned char Elements::guessAtomicNumber(const std::string& inputStr) { std::string str(trimmed(inputStr)); if (str.empty()) return InvalidElement; // atomic number? bool ok; int atomicNumberInt = lexicalCast(str, ok); if (ok) return static_cast(atomicNumberInt); // Format string as text std::transform(str.begin(), str.end(), str.begin(), tolower); str[0] = static_cast(toupper(static_cast(str[0]))); int length = str.size(); unsigned char atomicNumber = InvalidElement; while (length > 0) { if (length > 3) atomicNumber = atomicNumberFromName(str.substr(0, length)); else atomicNumber = atomicNumberFromSymbol(str.substr(0, length)); if (atomicNumber != InvalidElement) break; length--; } return atomicNumber; } const char* Elements::name(unsigned char atomicNumber) { if (atomicNumber < element_count) return element_names[atomicNumber]; else if (isCustomElement(atomicNumber)) return customElementName(atomicNumber); else return element_names[0]; } const char* Elements::symbol(unsigned char atomicNumber) { if (atomicNumber < element_count) return element_symbols[atomicNumber]; else if (isCustomElement(atomicNumber)) return customElementSymbol(atomicNumber); else return element_symbols[0]; } double Elements::mass(unsigned char atomicNumber) { if (atomicNumber < element_count) return element_masses[atomicNumber]; else return element_masses[0]; } double Elements::radiusVDW(unsigned char atomicNumber) { if (atomicNumber < element_count) return element_VDW[atomicNumber]; else if (isCustomElement(atomicNumber)) return CustomElementVDWRadius; else return element_VDW[0]; } double Elements::radiusCovalent(unsigned char atomicNumber) { if (atomicNumber < element_count) return element_covalent[atomicNumber]; else if (isCustomElement(atomicNumber)) return CustomElementCovalentRadius; else return element_covalent[0]; } const unsigned char* Elements::color(unsigned char atomicNumber) { if (atomicNumber < element_count) return element_color[atomicNumber]; else if (isCustomElement(atomicNumber)) return customElementColor(atomicNumber); else return element_color[0]; } unsigned char Elements::valenceElectrons(unsigned char atomicNumber) { if (atomicNumber < element_count) return valence_electrons[atomicNumber]; else return valence_electrons[0]; } } // end Avogadro namespace avogadrolibs-1.100.0/avogadro/core/elements.h000066400000000000000000000074531474375334400210730ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_ELEMENTS_H #define AVOGADRO_CORE_ELEMENTS_H #include "avogadrocoreexport.h" #include namespace Avogadro::Core { const unsigned char element_count = 119; //!< from 0 to 118 /** * @class Elements elements.h * @brief The Elements class stores basic data about chemical elements. * * The elements class gives a simple interface to basic data about chemical * elements. The data is automatically generated from the Blue Obelisk data * repository. * * The atomic numbers between the symbolic constants CustomElementMin and * CustomElementMax are used to represent non-elemental entities, such as * particles or structures units from MD simulations. Custom elements names and * symbols are returned as name="CustomElement_aa" and symbol="Xaa", where 'aa' * is some combination of lowercase letters that is unique to the particular * custom element atomic number. For all custom elements, the radii will match * Carbon, the color is random (but consistent), and the mass is zero. */ class AVOGADROCORE_EXPORT Elements { public: Elements() = default; ~Elements() = default; /** @return the number of elements in the database. */ static unsigned char elementCount(); /** * @return the atomic number from the supplied element @p name. If the name is * not recognised then Avogadro::InvalidElement will be returned. 0 represents * the dummy atom ("Dummy"). * @note The input string is expected to be lowercase with the first letter * capitalized. */ static unsigned char atomicNumberFromName(const std::string& name); /** * @return the atomic number from the supplied @p symbol. If the symbol is not * recognised then Avogadro::InvalidElement will be returned. 0 represents the * dummy atom ("Xx"). * @note The input string is expected to be lowercase with the first letter * capitalized. */ static unsigned char atomicNumberFromSymbol(const std::string& symbol); /** * Given a string @p str, attempt to identify an element symbol, name, or * atomic number. This method is slower and less reliable than the * atomicNumberFrom*() methods, and is only intended for making an initial * guess of user input. * @return the atomic number that best matches the string, or InvalidElement * if no match can be made. */ static unsigned char guessAtomicNumber(const std::string& str); /** @return the name of the element with the supplied @p atomicNumber. */ static const char* name(unsigned char atomicNumber); /** @return the symbol of the element with the supplied @p atomicNumber. */ static const char* symbol(unsigned char atomicNumber); /** @return the mass of the element with the supplied @p atomicNumber. */ static double mass(unsigned char atomicNumber); /** * @return the Van der Waals radius of the element with the supplied * @p atomicNumber. */ static double radiusVDW(unsigned char atomicNumber); /** @return the covalent radius of the element with the supplied * @p atomicNumber. */ static double radiusCovalent(unsigned char atomicNumber); /** * @return the default color of the element with the supplied @p atomicNumber. * This is a pointer to a static three component unsigned char color. */ static const unsigned char* color(unsigned char atomicNumber); /** @return the number of valence electrons for the supplied @p atomicNumber */ static unsigned char valenceElectrons(unsigned char atomicNumber); }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_ELEMENTS_H avogadrolibs-1.100.0/avogadro/core/gaussianset.cpp000066400000000000000000000511061474375334400221320ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "gaussianset.h" #include "molecule.h" #include #include using std::cout; using std::endl; using std::vector; namespace Avogadro::Core { GaussianSet::GaussianSet() : m_numMOs(0), m_init(false), m_scfType(Rhf) {} unsigned int GaussianSet::addBasis(unsigned int atom, orbital type) { // Count the number of independent basis functions switch (type) { case S: ++m_numMOs; break; case P: m_numMOs += 3; break; case SP: m_numMOs += 4; break; case D: m_numMOs += 6; break; case D5: m_numMOs += 5; break; case F: m_numMOs += 10; break; case F7: m_numMOs += 7; break; case G: m_numMOs += 15; break; case G9: m_numMOs += 9; break; case H: m_numMOs += 21; break; case H11: m_numMOs += 11; break; case I: m_numMOs += 28; break; case I13: m_numMOs += 13; break; default: // Should never hit here ; } m_init = false; // Add to the new data structure, delete the old soon m_symmetry.push_back(type); m_atomIndices.push_back(atom); return static_cast(m_symmetry.size() - 1); } unsigned int GaussianSet::addGto(unsigned int basis, double c, double a) { if (m_gtoIndices.size() == basis) { m_gtoIndices.push_back(static_cast(m_gtoA.size())); } else if (m_gtoIndices.size() < basis) { cout << "Error, attempted to add a GTO for a basis too early. GTOs must be " << "added in order to ensure correct indexing.\n"; return 69696969; } m_gtoA.push_back(a); m_gtoC.push_back(c); return static_cast(m_gtoA.size() - 1); } void GaussianSet::setMolecularOrbitals(const vector& MOs, ElectronType type) { if (!m_numMOs) return; m_init = false; size_t index(0); if (type == Beta) index = 1; // Some programs don't output all MOs, so we take the amount of data // and divide by the number of atomic orbital functions. unsigned int columns = static_cast(MOs.size()) / m_numMOs; // cout << " Add MOs: " << m_numMOs << columns << endl; m_moMatrix[index].resize(m_numMOs, columns); for (unsigned int j = 0; j < columns; ++j) for (unsigned int i = 0; i < m_numMOs; ++i) m_moMatrix[index].coeffRef(i, j) = MOs[i + j * m_numMOs]; } void GaussianSet::setMolecularOrbitals(const vector& MOs, ElectronType type, Index idx) { if (!m_numMOs) return; size_t index = 0; if (type == Beta) index = 1; unsigned int columns = static_cast(MOs.size()) / m_numMOs; MatrixX moMatrix; moMatrix.resize(m_numMOs, columns); for (unsigned int j = 0; j < columns; ++j) for (unsigned int i = 0; i < m_numMOs; ++i) moMatrix.coeffRef(i, j) = MOs[i + j * m_numMOs]; if (idx <= m_moMatrixSet[index].size()) m_moMatrixSet[index].resize(idx + 1); m_moMatrixSet[index][idx] = moMatrix; } bool GaussianSet::setActiveSetStep(int index) { if (index >= static_cast(m_moMatrixSet[0].size()) || index >= static_cast(m_moMatrixSet[1].size())) { return false; } if (index >= m_molecule->coordinate3dCount()) return false; m_moMatrix[0] = m_moMatrixSet[0][index]; m_moMatrix[1] = m_moMatrixSet[1][index]; m_molecule->setCoordinate3d(index); return true; } void GaussianSet::setMolecularOrbitalNumber(const vector& nums, ElectronType type) { if (type == Beta) m_moNumber[1] = nums; else m_moNumber[0] = nums; } bool GaussianSet::setDensityMatrix(const MatrixX& m) { m_density.resize(m.rows(), m.cols()); m_density = m; return true; } bool GaussianSet::setSpinDensityMatrix(const MatrixX& m) { m_spinDensity.resize(m.rows(), m.cols()); m_spinDensity = m; return true; } unsigned int GaussianSet::molecularOrbitalCount(ElectronType type) const { size_t index(0); if (type == Beta) index = 1; return static_cast(m_moMatrix[index].rows()); } void GaussianSet::outputAll(ElectronType type) { size_t index(0); if (type == Beta) index = 1; // Can be called to print out a summary of the basis set as read in auto numAtoms = static_cast(m_molecule->atomCount()); cout << "\nGaussian Basis Set\nNumber of atoms:" << numAtoms << endl; switch (m_scfType) { case Rhf: cout << "RHF orbitals" << endl; break; case Uhf: cout << "UHF orbitals" << endl; break; case Rohf: cout << "ROHF orbitals" << endl; break; default: cout << "Unknown orbitals" << endl; } initCalculation(); cout << "Number of electrons = " << m_electrons[index] << endl; if (!isValid()) { cout << "Basis set is marked as invalid." << endl; return; } for (size_t i = 0; i < m_symmetry.size(); ++i) { cout << i << "\tAtom Index: " << m_atomIndices[i] << "\tSymmetry: " << m_symmetry[i] << "\tMO Index: " << m_moIndices[i] << "\tGTO Index: " << m_gtoIndices[i] << endl; } cout << "Symmetry: " << m_symmetry.size() << "\tgtoIndices: " << m_gtoIndices.size() << "\tLast gtoIndex: " << m_gtoIndices[m_symmetry.size()] << "\ngto size: " << m_gtoA.size() << " " << m_gtoC.size() << " " << m_gtoCN.size() << endl; for (size_t i = 0; i < m_symmetry.size(); ++i) { switch (m_symmetry[i]) { case S: cout << "Shell " << i << "\tS\n MO 1\t" << m_moMatrix[index](0, m_moIndices[i]) << "\t" << m_moMatrix[index](m_moIndices[i], 0) << endl; break; case P: cout << "Shell " << i << "\tP\n MO 1\t" << m_moMatrix[index](0, m_moIndices[i]) << "\t" << m_moMatrix[index](0, m_moIndices[i] + 1) << "\t" << m_moMatrix[index](0, m_moIndices[i] + 2) << endl; break; case D: cout << "Shell " << i << "\tD\n MO 1\t" << m_moMatrix[index](0, m_moIndices[i]) << "\t" << m_moMatrix[index](0, m_moIndices[i] + 1) << "\t" << m_moMatrix[index](0, m_moIndices[i] + 2) << "\t" << m_moMatrix[index](0, m_moIndices[i] + 3) << "\t" << m_moMatrix[index](0, m_moIndices[i] + 4) << "\t" << m_moMatrix[index](0, m_moIndices[i] + 5) << endl; break; case D5: cout << "Shell " << i << "\tD5\n MO 1\t" << m_moMatrix[index](0, m_moIndices[i]) << "\t" << m_moMatrix[index](0, m_moIndices[i] + 1) << "\t" << m_moMatrix[index](0, m_moIndices[i] + 2) << "\t" << m_moMatrix[index](0, m_moIndices[i] + 3) << "\t" << m_moMatrix[index](0, m_moIndices[i] + 4) << endl; break; case F: cout << "Shell " << i << "\tF\n MO 1"; for (short j = 0; j < 10; ++j) cout << "\t" << m_moMatrix[index](0, m_moIndices[i] + j); cout << endl; break; case F7: cout << "Shell " << i << "\tF7\n MO 1"; for (short j = 0; j < 7; ++j) cout << "\t" << m_moMatrix[index](0, m_moIndices[i] + j); cout << endl; break; default: cout << "Error: unhandled type...\n"; } unsigned int cIndex = m_gtoIndices[i]; for (size_t j = m_gtoIndices[i]; j < m_gtoIndices[i + 1]; ++j) { if (j >= m_gtoA.size()) { cout << "Error, j is too large!" << j << m_gtoA.size() << endl; continue; } cout << cIndex << "\tc: " << m_gtoC[cIndex] << "\ta: " << m_gtoA[cIndex] << endl; ++cIndex; } } cout << "\nEnd of orbital data...\n"; } bool GaussianSet::isValid() { // TODO: Something useful here again - check the basis set makes sense... return true; } void GaussianSet::initCalculation() { if (m_init) return; // This currently just involves normalising all contraction coefficients m_gtoCN.clear(); // Initialise the new data structures that are hopefully more efficient unsigned int indexMO = 0; unsigned int skip = 0; // for unimplemented shells m_moIndices.resize(m_symmetry.size()); // Add a final entry to the gtoIndices m_gtoIndices.push_back(static_cast(m_gtoA.size())); for (unsigned int i = 0; i < m_symmetry.size(); ++i) { switch (m_symmetry[i]) { case S: m_moIndices[i] = indexMO++; m_cIndices.push_back(static_cast(m_gtoCN.size())); // Normalization of the S-type orbitals (normalization used in JMol) // (8 * alpha^3 / pi^3)^0.25 * exp(-alpha * r^2) for (unsigned j = m_gtoIndices[i]; j < m_gtoIndices[i + 1]; ++j) { m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 0.75) * 0.71270547); } break; case P: m_moIndices[i] = indexMO; indexMO += 3; m_cIndices.push_back(static_cast(m_gtoCN.size())); // Normalization of the P-type orbitals (normalization used in JMol) // (128 alpha^5 / pi^3)^0.25 * [x|y|z]exp(-alpha * r^2) for (unsigned j = m_gtoIndices[i]; j < m_gtoIndices[i + 1]; ++j) { m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 1.25) * 1.425410941); m_gtoCN.push_back(m_gtoCN.back()); m_gtoCN.push_back(m_gtoCN.back()); } break; case D: // Cartesian - 6 d components // Order in xx, yy, zz, xy, xz, yz m_moIndices[i] = indexMO; indexMO += 6; m_cIndices.push_back(static_cast(m_gtoCN.size())); // Normalization of the P-type orbitals (normalization used in JMol) // xx|yy|zz: (2048 alpha^7/9pi^3)^0.25 [xx|yy|zz]exp(-alpha r^2) // xy|xz|yz: (2048 alpha^7/pi^3)^0.25 [xy|xz|yz]exp(-alpha r^2) for (unsigned j = m_gtoIndices[i]; j < m_gtoIndices[i + 1]; ++j) { m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 1.75) * 1.645922781); m_gtoCN.push_back(m_gtoCN.back()); m_gtoCN.push_back(m_gtoCN.back()); m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 1.75) * 2.850821881); m_gtoCN.push_back(m_gtoCN.back()); m_gtoCN.push_back(m_gtoCN.back()); } break; case D5: // Spherical - 5 d components // Order in d0, d+1, d-1, d+2, d-2 // Form d(z^2-r^2), dxz, dyz, d(x^2-y^2), dxy m_moIndices[i] = indexMO; indexMO += 5; m_cIndices.push_back(static_cast(m_gtoCN.size())); for (unsigned j = m_gtoIndices[i]; j < m_gtoIndices[i + 1]; ++j) { m_gtoCN.push_back( m_gtoC[j] * pow(2048 * pow(m_gtoA[j], 7.0) / (9.0 * M_PI * M_PI * M_PI), 0.25)); m_gtoCN.push_back( m_gtoC[j] * pow(2048 * pow(m_gtoA[j], 7.0) / (M_PI * M_PI * M_PI), 0.25)); m_gtoCN.push_back(m_gtoCN.back()); // I think this is correct but really need to check... m_gtoCN.push_back( m_gtoC[j] * pow(128 * pow(m_gtoA[j], 7.0) / (M_PI * M_PI * M_PI), 0.25)); m_gtoCN.push_back( m_gtoC[j] * pow(2048 * pow(m_gtoA[j], 7.0) / (M_PI * M_PI * M_PI), 0.25)); } break; case F: /* Thanks, Jmol Cartesian forms for f (l = 3) basis functions: Type Normalization xxx [(32768 * alpha^9) / (225 * pi^3))]^(1/4) xxy [(32768 * alpha^9) / (9 * pi^3))]^(1/4) xxz [(32768 * alpha^9) / (9 * pi^3))]^(1/4) xyy [(32768 * alpha^9) / (9 * pi^3))]^(1/4) xyz [(32768 * alpha^9) / (1 * pi^3))]^(1/4) xzz [(32768 * alpha^9) / (9 * pi^3))]^(1/4) yyy [(32768 * alpha^9) / (225 * pi^3))]^(1/4) yyz [(32768 * alpha^9) / (9 * pi^3))]^(1/4) yzz [(32768 * alpha^9) / (9 * pi^3))]^(1/4) zzz [(32768 * alpha^9) / (225 * pi^3))]^(1/4) Thank you, Python pi = 3.141592653589793 (32768./225./(pi**3.))**(0.25) = 1.4721580892990938 (32768./9./(pi**3.))**(0.25) = 3.291845561298979 (32768./(pi**3.))**(0.25) = 5.701643762839922 */ { double norm1 = 1.4721580892990938; double norm2 = 3.291845561298979; double norm3 = 5.701643762839922; m_moIndices[i] = indexMO; indexMO += 10; m_cIndices.push_back(static_cast(m_gtoCN.size())); for (unsigned j = m_gtoIndices[i]; j < m_gtoIndices[i + 1]; ++j) { m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm1); // xxx m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm2); // xxy m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm2); // xxz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm2); // xyy m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm3); // xyz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm2); // xzz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm1); // yyy m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm2); // yyz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm2); // yzz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm1); // zzz } } break; case F7: { // m-independent normalization factor // math.sqrt(2.**(3.+3./2.))/(math.pi**(3./4.))*math.sqrt(2.**3. / 15.) // same as norm1 above. double norm = 1.4721580892990935; m_moIndices[i] = indexMO; indexMO += 7; m_cIndices.push_back(static_cast(m_gtoCN.size())); for (unsigned j = m_gtoIndices[i]; j < m_gtoIndices[i + 1]; ++j) { m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm); // 0 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm); //+1 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm); //-1 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm); //+2 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm); //-2 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm); //+3 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.25) * norm); //-3 } } break; case G: { // 16 * (2.0/pi)^0.75 double norm = 11.403287525679843; double norm1 = norm / sqrt(7.0); double norm2 = norm / sqrt(35.0 / 3.0); double norm3 = norm / sqrt(35.0); m_moIndices[i] = indexMO; indexMO += 15; m_cIndices.push_back(static_cast(m_gtoCN.size())); for (unsigned j = m_gtoIndices[i]; j < m_gtoIndices[i + 1]; ++j) { // molden order // xxxx yyyy zzzz xxxy xxxz yyyx yyyz zzzx zzzy, // xxyy xxzz yyzz xxyz yyxz zzxy m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); // xxxx m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); // yyyy m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); // zzzz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm1); // xxxy m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm1); // xxxz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm1); // yyyx m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm1); // yyyz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm1); // zzzx m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm1); // zzzy m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm2); // xxyy m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm2); // xxzz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm2); // yyzz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm3); // xxyz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm3); // yyxz m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm3); // zzxy } } break; case G9: { // 16 * (2.0/pi)^0.75 double norm = 11.403287525679843; m_moIndices[i] = indexMO; indexMO += 9; m_cIndices.push_back(static_cast(m_gtoCN.size())); for (unsigned j = m_gtoIndices[i]; j < m_gtoIndices[i + 1]; ++j) { m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); // 0 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); //+1 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); //-1 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); //+2 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); //-2 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); //+3 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); //-3 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); //+4 m_gtoCN.push_back(m_gtoC[j] * pow(m_gtoA[j], 2.75) * norm); //-4 } } break; case H: skip = 21; break; case H11: skip = 11; break; case I: skip = 28; break; case I13: skip = 13; break; default: cout << "Basis set not handled - results may be incorrect.\n"; } if (skip) { cout << "Basis set not handled - results may be incorrect.\n"; m_moIndices[i] = indexMO; indexMO += skip; m_cIndices.push_back(static_cast(m_gtoCN.size())); skip = 0; } } m_init = true; } bool GaussianSet::generateDensityMatrix() { if (m_scfType == Unknown) return false; m_density.resize(m_numMOs, m_numMOs); m_density = MatrixX::Zero(m_numMOs, m_numMOs); for (unsigned int iBasis = 0; iBasis < m_numMOs; ++iBasis) { for (unsigned int jBasis = 0; jBasis <= iBasis; ++jBasis) { switch (m_scfType) { case Rhf: for (unsigned int iMO = 0; iMO < m_electrons[0] / 2; ++iMO) { double icoeff = m_moMatrix[0](iBasis, iMO); double jcoeff = m_moMatrix[0](jBasis, iMO); m_density(jBasis, iBasis) += 2.0 * icoeff * jcoeff; m_density(iBasis, jBasis) = m_density(jBasis, iBasis); } // cout << iBasis << ", " << jBasis << ": " << // m_density(iBasis, jBasis) // << endl; break; case Rohf: // ROHF is handled similarly to UHF case Uhf: for (unsigned int iaMO = 0; iaMO < m_electrons[0]; ++iaMO) { double icoeff = m_moMatrix[0](iBasis, iaMO); double jcoeff = m_moMatrix[0](jBasis, iaMO); m_density(jBasis, iBasis) += icoeff * jcoeff; m_density(iBasis, jBasis) = m_density(jBasis, iBasis); } for (unsigned int ibMO = 0; ibMO < m_electrons[1]; ibMO++) { double icoeff = m_moMatrix[1](iBasis, ibMO); double jcoeff = m_moMatrix[1](jBasis, ibMO); m_density(jBasis, iBasis) += icoeff * jcoeff; m_density(iBasis, jBasis) = m_density(jBasis, iBasis); } // cout << iBasis << ", " << jBasis << ": " << // m_density(iBasis, jBasis) // << endl; break; default: cout << "Unhandled scf type:" << m_scfType << endl; } } } return true; } bool GaussianSet::generateSpinDensityMatrix() { if (m_scfType != Uhf) return false; m_spinDensity.resize(m_numMOs, m_numMOs); m_spinDensity = MatrixX::Zero(m_numMOs, m_numMOs); for (unsigned int iBasis = 0; iBasis < m_numMOs; ++iBasis) { for (unsigned int jBasis = 0; jBasis <= iBasis; ++jBasis) { for (unsigned int iaMO = 0; iaMO < m_electrons[0]; ++iaMO) { double icoeff = m_moMatrix[0](iBasis, iaMO); double jcoeff = m_moMatrix[0](jBasis, iaMO); m_spinDensity(jBasis, iBasis) += icoeff * jcoeff; m_spinDensity(iBasis, jBasis) = m_spinDensity(jBasis, iBasis); } for (unsigned int ibMO = 0; ibMO < m_electrons[1]; ++ibMO) { double icoeff = m_moMatrix[1](iBasis, ibMO); double jcoeff = m_moMatrix[1](jBasis, ibMO); m_spinDensity(jBasis, iBasis) -= icoeff * jcoeff; m_spinDensity(iBasis, jBasis) = m_spinDensity(jBasis, iBasis); } cout << iBasis << ", " << jBasis << ": " << m_spinDensity(iBasis, jBasis) << endl; } } return true; } } // namespace Avogadro::Core avogadrolibs-1.100.0/avogadro/core/gaussianset.h000066400000000000000000000220711474375334400215760ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_GAUSSIANSET_H #define AVOGADRO_CORE_GAUSSIANSET_H #include "avogadrocoreexport.h" #include "basisset.h" #include #include #include namespace Avogadro::Core { /** * Enumeration of the SCF type. */ enum ScfType { Rhf, Uhf, Rohf, Unknown }; /** * @class GaussianSet gaussianset.h * @brief A container for Gaussian type outputs from QM codes. * @author Marcus D. Hanwell * * The GaussianSet class has a transparent data structure for storing the basis * sets output by many quantum mechanical codes. It has a certain hierarchy * where shells are built up from n primitives, in this case Gaussian Type * Orbitals (GTOs). Each shell has a type (S, P, D, F, etc) and is composed of * one or more GTOs. Each GTO has a contraction coefficient, c, and an exponent, * a. * * When calculating Molecular Orbitals (MOs) each orthogonal shell has an * independent coefficient. That is the S type orbitals have one coefficient, * the P type orbitals have three coefficients (Px, Py and Pz), the D type * orbitals have five (or six if cartesian types) coefficients, and so on. */ class AVOGADROCORE_EXPORT GaussianSet : public BasisSet { public: /** * Constructor. */ GaussianSet(); /** * Destructor. */ ~GaussianSet() override = default; /** * Clone. */ GaussianSet* clone() const override { return new GaussianSet(*this); } /** * Enumeration of the Gaussian type orbitals. */ enum orbital { S, SP, P, D, D5, F, F7, G, G9, H, H11, I, I13, UU }; /** * Add a basis to the basis set. * @param atom Index of the atom to add the Basis to. * @param type The type of the Basis being added. * @return The index of the added Basis. */ unsigned int addBasis(unsigned int atom, orbital type); /** * Add a GTO to the supplied basis. * @param basis The index of the Basis to add the GTO to. * @param c The contraction coefficient of the GTO. * @param a The exponent of the GTO. * @return The index of the added GTO. */ unsigned int addGto(unsigned int basis, double c, double a); /** * Set the molecular orbital (MO) coefficients to the GaussianSet. * @param MOs Vector containing the MO coefficients for the GaussianSet. * @param type The type of the MOs (Paired, Alpha, Beta). */ void setMolecularOrbitals(const std::vector& MOs, ElectronType type = Paired); /** * Set the molecular orbital (MO) coefficients for a given index. Note * that this must be used with coordinate sets to work correctly. * @param MOs Vector containing the MO coefficients for the GaussianSet. * @param type The type of the MOs (Paired, Alpha, Beta). * @param index The index of the MO in the sequence. */ void setMolecularOrbitals(const std::vector& MOs, ElectronType type, Index index); /** * Get the number of elements in the set. */ int setCount() { return static_cast(m_moMatrixSet[0].size()); } /** * Set the active element in the set, this expects a corresponding * coordinate set element, and will change the active MO matrix. */ bool setActiveSetStep(int index); /** * @brief This enables support of sparse orbital sets, and provides a mapping * from the index in memory to the actual molecular orbital number. * @param nums The MO numbers (starting with an index of 1 for the first one). * @param type The MO type (Paired, Alpha, Beta). */ void setMolecularOrbitalNumber(const std::vector& nums, ElectronType type = Paired); /** * Set the SCF density matrix for the GaussianSet. */ bool setDensityMatrix(const MatrixX& m); /** * Set the spin density matrix for the GaussianSet. */ bool setSpinDensityMatrix(const MatrixX& m); /** * @brief Generate the density matrix if we have the required information. * @return True on success, false on failure. */ bool generateDensityMatrix(); /** * @brief Generate the spin density matrix if we have the required * information. * @return True on success, false on failure. */ bool generateSpinDensityMatrix(); /** * @return The number of molecular orbitals in the GaussianSet. */ unsigned int molecularOrbitalCount(ElectronType type = Paired) const override; /** * Debug routine, outputs all of the data in the GaussianSet. * @param type The electrons to output the information for. */ void outputAll(ElectronType type = Paired); /** * @return True of the basis set is valid, false otherwise. * Default is true, if false then the basis set is likely unusable. */ bool isValid() override; /** * Set the SCF type for the object. */ void setScfType(ScfType type) { m_scfType = type; } /** * Get the SCF type for the object. */ ScfType scfType() const { return m_scfType; } /** * Set the functional name (if applicable). */ void setFunctionalName(const std::string& name) { m_functionalName = name; } /** * Get the functional name (empty if none used). */ std::string functionalName() const { return m_functionalName; } /** * Initialize the calculation, this must normally be done before anything. */ void initCalculation(); /** * Accessors for the various properties of the GaussianSet. */ std::vector& symmetry() { return m_symmetry; } std::vector symmetry() const { return m_symmetry; } std::vector& atomIndices() { return m_atomIndices; } std::vector atomIndices() const { return m_atomIndices; } std::vector& moIndices() { return m_moIndices; } std::vector moIndices() const { return m_moIndices; } std::vector& gtoIndices() { return m_gtoIndices; } std::vector gtoIndices() const { return m_gtoIndices; } std::vector& cIndices() { return m_cIndices; } std::vector cIndices() const { return m_cIndices; } std::vector& gtoA() { return m_gtoA; } std::vector gtoA() const { return m_gtoA; } std::vector& gtoC() { return m_gtoC; } std::vector gtoC() const { return m_gtoC; } std::vector& gtoCN() { initCalculation(); return m_gtoCN; } MatrixX& moMatrix(ElectronType type = Paired) { if (type == Paired || type == Alpha) return m_moMatrix[0]; else return m_moMatrix[1]; } MatrixX moMatrix(ElectronType type = Paired) const { if (type == Paired || type == Alpha) return m_moMatrix[0]; else return m_moMatrix[1]; } std::vector& moNumber(ElectronType type = Paired) { if (type == Paired || type == Alpha) return m_moNumber[0]; else return m_moNumber[1]; } std::vector moNumber(ElectronType type = Paired) const { if (type == Paired || type == Alpha) return m_moNumber[0]; else return m_moNumber[1]; } MatrixX& densityMatrix() { return m_density; } MatrixX& spinDensityMatrix() { return m_spinDensity; } private: /** * @brief This group is used once, and refers to the entire molecule. */ std::vector m_symmetry; //! Symmetry of the basis, S, P... std::vector m_atomIndices; //! Indices into the atomPos vector std::vector m_moIndices; //! Indices into the MO/density matrix std::vector m_gtoIndices; //! Indices into the GTO vector std::vector m_cIndices; //! Indices into m_gtoCN std::vector m_gtoA; //! The GTO exponent std::vector m_gtoC; //! The GTO contraction coefficient std::vector m_gtoCN; //! The GTO contraction coefficient (normalized) /** * @brief This block can be once (doubly) or in two parts (alpha and beta) for * open shell calculations. */ MatrixX m_moMatrix[2]; //! MO coefficient matrix /** * @brief If there are a sequence of related MOs, they are stored here, and * set as the active MOs upon demand. Alpha will store Paired or the Alpha, * Beta will store Beta coefficients for the appropriate calculation types. */ std::vector m_moMatrixSet[2]; /** * @brief This stores the molecular orbital number (when they are sparse). It * is used to lookup the actual index of the molecular orbital data. */ std::vector m_moNumber[2]; MatrixX m_density; //! Density matrix MatrixX m_spinDensity; //! Spin Density matrix unsigned int m_numMOs; //! The number of GTOs (not always!) bool m_init; //! Has the calculation been initialised? ScfType m_scfType; std::string m_functionalName; }; } // namespace Avogadro::Core #endif avogadrolibs-1.100.0/avogadro/core/gaussiansettools.cpp000066400000000000000000000523351474375334400232200ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "gaussiansettools.h" #include "cube.h" #include "gaussianset.h" #include "molecule.h" #include using std::vector; namespace Avogadro::Core { GaussianSetTools::GaussianSetTools(Molecule* mol) : m_molecule(mol) { if (m_molecule) { m_basis = dynamic_cast(m_molecule->basisSet()); m_cutoffDistances.resize(7, 0.0); // s, p, d, f, g, h, i (for now) calculateCutoffs(); } } bool GaussianSetTools::calculateMolecularOrbital(Cube& cube, int moNumber) const { for (size_t i = 0; i < cube.data()->size(); ++i) { Vector3 pos = cube.position(i); cube.setValue(i, calculateMolecularOrbital(pos, moNumber)); } return true; } double GaussianSetTools::calculateMolecularOrbital(const Vector3& position, int mo) const { if (mo > static_cast(m_basis->molecularOrbitalCount())) return 0.0; std::vector values(calculateValues(position)); const MatrixX& matrix = m_basis->moMatrix(m_type); int matrixSize(static_cast(matrix.rows())); // Now calculate the value of the density at this point in space double result(0.0); for (int i = 0; i < matrixSize; ++i) result += matrix(i, mo) * values[i]; return result; } bool GaussianSetTools::calculateElectronDensity(Cube& cube) const { const MatrixX& matrix = m_basis->densityMatrix(); if (matrix.rows() == 0 || matrix.cols() == 0) { // we don't have a density matrix, so generate one m_basis->generateDensityMatrix(); } for (size_t i = 0; i < cube.data()->size(); ++i) { Vector3 pos = cube.position(i); cube.setValue(i, calculateElectronDensity(pos)); } return true; } double GaussianSetTools::calculateElectronDensity(const Vector3& position) const { const MatrixX& matrix = m_basis->densityMatrix(); int matrixSize(static_cast(m_basis->moMatrix().rows())); if (matrix.rows() != matrixSize || matrix.cols() != matrixSize) { return 0.0; } std::vector values(calculateValues(position)); // Now calculate the value of the density at this point in space double rho(0.0); for (int i = 0; i < matrixSize; ++i) { // Calculate the off-diagonal parts of the matrix for (int j = 0; j < i; ++j) rho += 2.0 * matrix(i, j) * (values[i] * values[j]); // Now calculate the matrix diagonal rho += matrix(i, i) * (values[i] * values[i]); } return rho; } bool GaussianSetTools::calculateSpinDensity(Cube& cube) const { for (size_t i = 0; i < cube.data()->size(); ++i) { Vector3 pos = cube.position(i); cube.setValue(i, calculateSpinDensity(pos)); } return true; } double GaussianSetTools::calculateSpinDensity(const Vector3& position) const { const MatrixX& matrix = m_basis->spinDensityMatrix(); int matrixSize(static_cast(m_basis->moMatrix().rows())); if (matrix.rows() != matrixSize || matrix.cols() != matrixSize) { return 0.0; } std::vector values(calculateValues(position)); // Now calculate the value of the density at this point in space double rho(0.0); for (int i = 0; i < matrixSize; ++i) { // Calculate the off-diagonal parts of the matrix for (int j = 0; j < i; ++j) rho += 2.0 * matrix(i, j) * (values[i] * values[j]); // Now calculate the matrix diagonal rho += matrix(i, i) * (values[i] * values[i]); } return rho; } bool GaussianSetTools::isValid() const { return (m_molecule != nullptr) && (dynamic_cast(m_molecule->basisSet()) != nullptr); } inline bool GaussianSetTools::isSmall(double val) const { return std::abs(val) < 1e-12; } inline void GaussianSetTools::calculateCutoffs() { // Guesstimate a distance we can ignore the exp(-alpha * r^2) term // .. because it's negligible // This will depend on the angular momentum of the basis function // .. so we calculate it for whatever L values in this basis set const double threshold = 0.03 * 0.001; // 0.1% of a typical isovalue const double maxDistance = 100.0; // just in case (diffuse functions) // get the exponents and normalized coefficients const std::vector& exponents = m_basis->gtoA(); const std::vector& coefficients = m_basis->gtoCN(); const std::vector& sym = m_basis->symmetry(); // we loop through the "symmetry" (i.e., L values in this basis set) for (size_t i = 0; i < sym.size(); ++i) { int L = symToL[sym[i]]; // this is a hack, since not all coefficients will be the same // .. but it's a good approximation since they'll be similar unsigned int cIndex = m_basis->cIndices()[i]; const double coeff = std::abs(coefficients[cIndex]); // now loop through all exponents for this L value // (e.g., multiple terms - we don't know which is the most diffuse) for (unsigned int j = m_basis->gtoIndices()[i]; j < m_basis->gtoIndices()[i + 1]; ++j) { double alpha = exponents[j]; // except for S, we don't want to start at the origin double r = std::min(maxDistance, std::sqrt(L / (2 * alpha))); double value = coeff * std::pow(r, L) * std::exp(-alpha * r * r); while (value > threshold && r < maxDistance) { r += 0.25; value = coeff * std::pow(r, L) * std::exp(-alpha * r * r); } m_cutoffDistances[L] = std::max(m_cutoffDistances[L], r * r); } } } inline std::vector GaussianSetTools::calculateValues( const Vector3& position) const { m_basis->initCalculation(); Index atomsSize = m_molecule->atomCount(); size_t basisSize = m_basis->symmetry().size(); const std::vector& basis = m_basis->symmetry(); const std::vector& atomIndices = m_basis->atomIndices(); std::vector deltas; std::vector dr2; deltas.reserve(atomsSize); dr2.reserve(atomsSize); // Calculate our position Vector3 pos(position * ANGSTROM_TO_BOHR); // Calculate the deltas for the position for (Index i = 0; i < atomsSize; ++i) { deltas.emplace_back(pos - (m_molecule->atom(i).position3d() * ANGSTROM_TO_BOHR)); dr2.push_back(deltas[i].squaredNorm()); } // Allocate space for the values to be calculated. size_t matrixSize = m_basis->moMatrix().rows(); std::vector values; values.resize(matrixSize, 0.0); // Now calculate the values at this point in space for (unsigned int i = 0; i < basisSize; ++i) { // bail early if the distance is too big double cutoff = m_cutoffDistances[symToL[basis[i]]]; if (dr2[atomIndices[i]] > cutoff) continue; switch (basis[i]) { case GaussianSet::S: pointS(i, dr2[atomIndices[i]], values); break; case GaussianSet::P: pointP(i, deltas[atomIndices[i]], dr2[atomIndices[i]], values); break; case GaussianSet::D: pointD(i, deltas[atomIndices[i]], dr2[atomIndices[i]], values); break; case GaussianSet::D5: pointD5(i, deltas[atomIndices[i]], dr2[atomIndices[i]], values); break; case GaussianSet::F: pointF(i, deltas[atomIndices[i]], dr2[atomIndices[i]], values); break; case GaussianSet::F7: pointF7(i, deltas[atomIndices[i]], dr2[atomIndices[i]], values); break; case GaussianSet::G: pointG(i, deltas[atomIndices[i]], dr2[atomIndices[i]], values); break; case GaussianSet::G9: pointG9(i, deltas[atomIndices[i]], dr2[atomIndices[i]], values); break; default: // Not handled - return a zero contribution ; } } return values; } inline void GaussianSetTools::pointS(unsigned int moIndex, double dr2, std::vector& values) const { // S type orbitals - the simplest of the calculations with one component double tmp = 0.0; unsigned int cIndex = m_basis->cIndices()[moIndex]; for (unsigned int i = m_basis->gtoIndices()[moIndex]; i < m_basis->gtoIndices()[moIndex + 1]; ++i) { tmp += m_basis->gtoCN()[cIndex++] * exp(-m_basis->gtoA()[i] * dr2); } // There is one MO coefficient per S shell basis. values[m_basis->moIndices()[moIndex]] = tmp; } inline void GaussianSetTools::pointP(unsigned int moIndex, const Vector3& delta, double dr2, std::vector& values) const { // P type orbitals have three components and each component has a different // independent MO weighting. Many things can be cached to save time though. unsigned int baseIndex = m_basis->moIndices()[moIndex]; Vector3 components(Vector3::Zero()); // Now iterate through the GTOs and sum their contributions unsigned int cIndex = m_basis->cIndices()[moIndex]; double tmpGTO = 0.0; for (unsigned int i = m_basis->gtoIndices()[moIndex]; i < m_basis->gtoIndices()[moIndex + 1]; ++i) { tmpGTO = exp(-m_basis->gtoA()[i] * dr2); for (unsigned int j = 0; j < 3; ++j) { components[j] += m_basis->gtoCN()[cIndex++] * tmpGTO; } } for (unsigned int i = 0; i < 3; ++i) values[baseIndex + i] = components[i] * delta[i]; } inline void GaussianSetTools::pointD(unsigned int moIndex, const Vector3& delta, double dr2, std::vector& values) const { // D type orbitals have six components and each component has a different // independent MO weighting. Many things can be cached to save time though. unsigned int baseIndex = m_basis->moIndices()[moIndex]; double components[6] = { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 }; const vector& gtoA = m_basis->gtoA(); const vector& gtoCN = m_basis->gtoCN(); // Now iterate through the GTOs and sum their contributions unsigned int cIndex = m_basis->cIndices()[moIndex]; double tmpGTO = 0.0; for (unsigned int i = m_basis->gtoIndices()[moIndex]; i < m_basis->gtoIndices()[moIndex + 1]; ++i) { // Calculate the common factor tmpGTO = exp(-gtoA[i] * dr2); for (double& component : components) component += gtoCN[cIndex++] * tmpGTO; } double componentsD[6] = { delta.x() * delta.x(), // xx delta.y() * delta.y(), // yy delta.z() * delta.z(), // zz delta.x() * delta.y(), // xy delta.x() * delta.z(), // xz delta.y() * delta.z() }; // yz for (int i = 0; i < 6; ++i) values[baseIndex + i] += components[i] * componentsD[i]; } inline void GaussianSetTools::pointD5(unsigned int moIndex, const Vector3& delta, double dr2, std::vector& values) const { // D type orbitals have five components and each component has a different // MO weighting. Many things can be cached to save time. unsigned int baseIndex = m_basis->moIndices()[moIndex]; double components[5] = { 0.0, 0.0, 0.0, 0.0, 0.0 }; const vector& gtoA = m_basis->gtoA(); const vector& gtoCN = m_basis->gtoCN(); // Now iterate through the D type GTOs and sum their contributions unsigned int cIndex = m_basis->cIndices()[moIndex]; double tmpGTO = 0.0; for (unsigned int i = m_basis->gtoIndices()[moIndex]; i < m_basis->gtoIndices()[moIndex + 1]; ++i) { // Calculate the common factor tmpGTO = exp(-gtoA[i] * dr2); for (double& component : components) component += gtoCN[cIndex++] * tmpGTO; } // Calculate the prefactors double xx = delta.x() * delta.x(); double yy = delta.y() * delta.y(); double zz = delta.z() * delta.z(); double xy = delta.x() * delta.y(); double xz = delta.x() * delta.z(); double yz = delta.y() * delta.z(); double componentsD[5] = { zz - dr2, // 0 xz, // 1p yz, // 1n xx - yy, // 2p xy }; // 2n for (int i = 0; i < 5; ++i) values[baseIndex + i] += componentsD[i] * components[i]; } inline void GaussianSetTools::pointF(unsigned int moIndex, const Vector3& delta, double dr2, std::vector& values) const { // F type orbitals have 10 components and each component has a different // independent MO weighting. Many things can be cached to save time though. unsigned int baseIndex = m_basis->moIndices()[moIndex]; double components[10] = { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 }; const vector& gtoA = m_basis->gtoA(); const vector& gtoCN = m_basis->gtoCN(); // Now iterate through the GTOs and sum their contributions unsigned int cIndex = m_basis->cIndices()[moIndex]; double tmpGTO = 0.0; for (unsigned int i = m_basis->gtoIndices()[moIndex]; i < m_basis->gtoIndices()[moIndex + 1]; ++i) { // Calculate the common factor tmpGTO = exp(-gtoA[i] * dr2); for (double& component : components) component += gtoCN[cIndex++] * tmpGTO; } double xxx = delta.x() * delta.x() * delta.x(); // xxx double xxy = delta.x() * delta.x() * delta.y(); // xxy double xxz = delta.x() * delta.x() * delta.z(); // xxz double xyy = delta.x() * delta.y() * delta.y(); // xyy double xyz = delta.x() * delta.y() * delta.z(); // xyz double xzz = delta.x() * delta.z() * delta.z(); // xzz double yyy = delta.y() * delta.y() * delta.y(); // yyy double yyz = delta.y() * delta.y() * delta.z(); // yyz double yzz = delta.y() * delta.z() * delta.z(); // yzz double zzz = delta.z() * delta.z() * delta.z(); // zzz double componentsF[10] = { // molden order // e.g https://gau2grid.readthedocs.io/en/latest/order.html xxx, yyy, zzz, xyy, xxy, xxz, xzz, yzz, yyz, xyz }; for (int i = 0; i < 10; ++i) values[baseIndex + i] += components[i] * componentsF[i]; } inline void GaussianSetTools::pointF7(unsigned int moIndex, const Vector3& delta, double dr2, std::vector& values) const { // F type orbitals have 7 components and each component has a different // independent MO weighting. Many things can be cached to save time though. unsigned int baseIndex = m_basis->moIndices()[moIndex]; double components[7] = { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 }; const vector& gtoA = m_basis->gtoA(); const vector& gtoCN = m_basis->gtoCN(); // Now iterate through the F type GTOs and sum their contributions unsigned int cIndex = m_basis->cIndices()[moIndex]; double tmpGTO = 0.0; for (unsigned int i = m_basis->gtoIndices()[moIndex]; i < m_basis->gtoIndices()[moIndex + 1]; ++i) { // Calculate the common factor tmpGTO = exp(-gtoA[i] * dr2); for (double& component : components) component += gtoCN[cIndex++] * tmpGTO; } double xxx = delta.x() * delta.x() * delta.x(); // xxx double xxy = delta.x() * delta.x() * delta.y(); // xxy double xxz = delta.x() * delta.x() * delta.z(); // xxz double xyy = delta.x() * delta.y() * delta.y(); // xyy double xyz = delta.x() * delta.y() * delta.z(); // xyz double xzz = delta.x() * delta.z() * delta.z(); // xzz double yyy = delta.y() * delta.y() * delta.y(); // yyy double yyz = delta.y() * delta.y() * delta.z(); // yyz double yzz = delta.y() * delta.z() * delta.z(); // yzz double zzz = delta.z() * delta.z() * delta.z(); // zzz /* spherical combinations borrowed from CASINO/Crystal documentation linear combination 3,0 z^3 - 3/2 * (x^2z + y^2z) 2z^3 - 3 * (x^2z + y^2z) * 2 3,1 6 * xz^2 - 3/2 * (x^3 + xy^2) 4xz^2 - x^3 - xy^2 * 2/3 3,-1 6 * yz^2 - 3/2 * (x^2y + y^3) 4yz^2 - x^2y - y^3 * 2/3 3,2 15 * (x^2z - y^2z) x^2z - y^2z * 1/15 3,-2 30 * xyz xyz * 1/30 3,3 15 * x^3 - 45 * xy^2 x^3 - 3xy^2 * 1/15 3,-3 45 * x^2y - 15 * y^3 3x^2y - y^3 * 1/15 final normalization (2 - delta_m,0) * (l - |m|)! * root ------------------------------ (m-dependent) (l + m)! */ double root6 = 2.449489742783178; double root60 = 7.745966692414834; double root360 = 18.973665961010276; double componentsF[7] = { zzz - 3.0 / 2.0 * (xxz + yyz), (6.0 * xzz - 3.0 / 2.0 * (xxx + xyy)) / root6, (6.0 * yzz - 3.0 / 2.0 * (xxy + yyy)) / root6, (15.0 * (xxz - yyz)) / root60, (30.0 * xyz) / root60, (15.0 * xxx - 45.0 * xyy) / root360, (45.0 * xxy - 15.0 * yyy) / root360 }; for (int i = 0; i < 7; ++i) values[baseIndex + i] += components[i] * componentsF[i]; } inline void GaussianSetTools::pointG(unsigned int moIndex, const Vector3& delta, double dr2, vector& values) const { // G type orbitals have 15 components and each component has a different // independent MO weighting. Many things can be cached to save time though. unsigned int baseIndex = m_basis->moIndices()[moIndex]; double components[15] = { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 }; const vector& gtoA = m_basis->gtoA(); const vector& gtoCN = m_basis->gtoCN(); // Now iterate through the G type GTOs and sum their contributions unsigned int cIndex = m_basis->cIndices()[moIndex]; double tmpGTO = 0.0; for (unsigned int i = m_basis->gtoIndices()[moIndex]; i < m_basis->gtoIndices()[moIndex + 1]; ++i) { // Calculate the common factor tmpGTO = exp(-gtoA[i] * dr2); for (double& component : components) component += gtoCN[cIndex++] * tmpGTO; } // e.g. XXXX YYYY ZZZZ XXXY XXXZ XYYY YYYZ ZZZX ZZZY XXYY XXZZ YYZZ XXYZ XYYZ // XYZZ const double xxxx = delta.x() * delta.x() * delta.x() * delta.x(); const double yyyy = delta.y() * delta.y() * delta.y() * delta.y(); const double zzzz = delta.z() * delta.z() * delta.z() * delta.z(); const double xxxy = delta.x() * delta.x() * delta.x() * delta.y(); const double xxxz = delta.x() * delta.x() * delta.x() * delta.z(); const double yyyx = delta.y() * delta.y() * delta.y() * delta.x(); const double yyyz = delta.y() * delta.y() * delta.y() * delta.z(); const double zzzx = delta.z() * delta.z() * delta.z() * delta.x(); const double zzzy = delta.z() * delta.z() * delta.z() * delta.y(); const double xxyy = delta.x() * delta.x() * delta.y() * delta.y(); const double xxzz = delta.x() * delta.x() * delta.z() * delta.z(); const double yyzz = delta.y() * delta.y() * delta.z() * delta.z(); const double xxyz = delta.x() * delta.x() * delta.y() * delta.z(); const double yyxz = delta.y() * delta.y() * delta.x() * delta.z(); const double zzxy = delta.z() * delta.z() * delta.x() * delta.y(); // molden order // https://www.theochem.ru.nl/molden/molden_format.html // https://gau2grid.readthedocs.io/en/latest/order.html // xxxx yyyy zzzz xxxy xxxz yyyx yyyz zzzx zzzy, // xxyy xxzz yyzz xxyz yyxz zzxy double componentsG[15] = { xxxx, yyyy, zzzz, xxxy, xxxz, yyyx, yyyz, zzzx, zzzy, xxyy, xxzz, yyzz, xxyz, yyxz, zzxy }; for (int i = 0; i < 15; ++i) values[baseIndex + i] += components[i] * componentsG[i]; } inline void GaussianSetTools::pointG9(unsigned int moIndex, const Vector3& delta, double dr2, vector& values) const { // G type orbitals have 9 spherical components and each component // has a different independent MO weighting. // Many things can be cached to save time though. unsigned int baseIndex = m_basis->moIndices()[moIndex]; double components[9] = { 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 }; const vector& gtoA = m_basis->gtoA(); const vector& gtoCN = m_basis->gtoCN(); // Now iterate through the GTOs and sum their contributions unsigned int cIndex = m_basis->cIndices()[moIndex]; double tmpGTO = 0.0; for (unsigned int i = m_basis->gtoIndices()[moIndex]; i < m_basis->gtoIndices()[moIndex + 1]; ++i) { // Calculate the common factor tmpGTO = exp(-gtoA[i] * dr2); for (double& component : components) component += gtoCN[cIndex++] * tmpGTO; } double x2(delta.x() * delta.x()), y2(delta.y() * delta.y()), z2(delta.z() * delta.z()); double componentsG[9] = { 3.0 * dr2 * dr2 - 30.0 * dr2 * z2 + 35.0 * z2 * z2 * (1.0 / 8.0), delta.x() * delta.z() * (7.0 * z2 - 3.0 * dr2) * (sqrt(5.0) / 8.0), delta.y() * delta.z() * (7.0 * z2 - 3.0 * dr2) * (sqrt(5.0) / 8.0), (x2 - y2) * (7.0 * z2 - dr2) * (sqrt(5.0) / 4.0), delta.x() * delta.y() * (7.0 * z2 - dr2) * (sqrt(5.0) / 2.0), delta.x() * delta.z() * (x2 - 3.0 * y2) * (sqrt(7.0) / 4.0), delta.y() * delta.z() * (3.0 * x2 - y2) * (sqrt(7.0) / 4.0), (x2 * x2 - 6.0 * x2 * y2 + y2 * y2) * (sqrt(35.0) / 8.0), delta.x() * delta.y() * (x2 - y2) * (sqrt(35.0) / 2.0) }; for (int i = 0; i < 9; ++i) values[baseIndex + i] += components[i] * componentsG[i]; } } // namespace Avogadro::Core avogadrolibs-1.100.0/avogadro/core/gaussiansettools.h000066400000000000000000000116211474375334400226560ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_GAUSSIANSETTOOLS_H #define AVOGADRO_CORE_GAUSSIANSETTOOLS_H #include "avogadrocoreexport.h" #include "basisset.h" #include "vector.h" #include namespace Avogadro::Core { class Cube; class GaussianSet; class Molecule; /** * @class GaussianSetTools gaussiansettools.h * @brief Provide tools to calculate molecular orbitals, electron densities and * other derived data stored in a GaussianSet result. * @author Marcus D. Hanwell */ class AVOGADROCORE_EXPORT GaussianSetTools { public: explicit GaussianSetTools(Molecule* mol = nullptr); ~GaussianSetTools() = default; /** * @brief Set the electron type, must be called once MOs are available * @param type The electron type - Alpha, Beta, or Paired (default). */ void setElectronType(BasisSet::ElectronType type) { m_type = type; } /** * @brief Populate the cube with values for the molecular orbital. * @param cube The cube to be populated with values. * @param molecularOrbitalNumber The molecular orbital number. * @return True on success, false on failure. */ bool calculateMolecularOrbital(Cube& cube, int molecularOrbitalNumber) const; /** * @brief Calculate the value of the specified molecular orbital at the * position specified. * @param position The position in space to calculate the value. * @param molecularOrbitalNumber The molecular orbital number. * @return The value of the molecular orbital at the position specified. */ double calculateMolecularOrbital(const Vector3& position, int molecularOrbitalNumber) const; /** * @brief Populate the cube with values for the electron density. * @param cube The cube to be populated with values. * @return True on success, false on failure. */ bool calculateElectronDensity(Cube& cube) const; /** * @brief Calculate the value of the electron density at the position * specified. * @param position The position in space to calculate the value. * @return The value of the electron density at the position specified. */ double calculateElectronDensity(const Vector3& position) const; /** * @brief Populate the cube with values for the spin density. * @param cube The cube to be populated with values. * @return True on success, false on failure. */ bool calculateSpinDensity(Cube& cube) const; /** * @brief Calculate the value of the electron spin density at the position * specified. * @param position The position in space to calculate the value. * @return The value of the spin density at the position specified. */ double calculateSpinDensity(const Vector3& position) const; /** * @brief Check that the basis set is valid and can be used. * @return True if valid, false otherwise. */ bool isValid() const; private: Molecule* m_molecule; GaussianSet* m_basis; BasisSet::ElectronType m_type = BasisSet::Paired; std::vector m_cutoffDistances; bool isSmall(double value) const; // get the cutoff distance for the given angular momentum // .. and the current basis set (exponents) void calculateCutoffs(); /** * @brief Calculate the values at this position in space. The public calculate * functions call this function to prepare values before multiplying by the * molecular orbital or density matrix elements. * @param position The position in space to calculate the value. */ std::vector calculateValues(const Vector3& position) const; void pointS(unsigned int index, double dr2, std::vector& values) const; void pointP(unsigned int index, const Vector3& delta, double dr2, std::vector& values) const; void pointD(unsigned int index, const Vector3& delta, double dr2, std::vector& values) const; void pointD5(unsigned int index, const Vector3& delta, double dr2, std::vector& values) const; void pointF(unsigned int index, const Vector3& delta, double dr2, std::vector& values) const; void pointF7(unsigned int index, const Vector3& delta, double dr2, std::vector& values) const; void pointG(unsigned int index, const Vector3& delta, double dr2, std::vector& values) const; void pointG9(unsigned int index, const Vector3& delta, double dr2, std::vector& values) const; // map from symmetry to angular momentum // S, SP, P, D, D5, F, F7, G, G9, etc. const int symToL[13] = { 0, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6 }; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_GAUSSIANSETTOOLS_H avogadrolibs-1.100.0/avogadro/core/graph.cpp000066400000000000000000000413511474375334400207060ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "graph.h" #include #include #include #include #include #include namespace Avogadro::Core { Graph::Graph(size_t n) : m_adjacencyList(n), m_edgeMap(n), m_vertexToSubgraph(n) { for (size_t i = 0; i < n; i++) { m_vertexToSubgraph[i] = -1; m_loneVertices.insert(i); } } void Graph::setSize(size_t n) { // If the graph is being made smaller we first need to remove all of the edges // from the soon to be removed vertices. for (size_t i = n; i < m_adjacencyList.size(); ++i) { removeEdges(i); // Mark subgraph as dirty if vertex has one assigned if (m_vertexToSubgraph[i] >= 0) m_subgraphDirty[m_vertexToSubgraph[i]] = true; } m_vertexToSubgraph.resize(n); // Mark the new nodes as isolated, with no explicit subgraph for (size_t i = m_adjacencyList.size(); i < n; ++i) { m_vertexToSubgraph[i] = -1; m_loneVertices.insert(i); } m_adjacencyList.resize(n); m_edgeMap.resize(n); } size_t Graph::size() const { return vertexCount(); } bool Graph::isEmpty() const { return m_adjacencyList.empty(); } void Graph::clear() { m_adjacencyList.clear(); m_edgeMap.clear(); m_edgePairs.clear(); m_vertexToSubgraph.clear(); m_subgraphToVertices.clear(); m_subgraphDirty.clear(); } size_t Graph::addVertex() { setSize(size() + 1); return size() - 1; } void Graph::removeVertex(size_t index) { assert(index < size()); // Mark the subgraph as dirty, leave the work for later if (m_vertexToSubgraph[index] >= 0) m_subgraphDirty[m_vertexToSubgraph[index]] = true; // Remove the edges to the vertex. removeEdges(index); // Swap with last vertex. if (index < size() - 1) { std::swap(m_adjacencyList[index], m_adjacencyList.back()); size_t affectedIndex = m_adjacencyList.size() - 1; // NOLINTBEGIN(*) for (size_t i = 0; i < m_adjacencyList[index].size(); i++) { size_t otherIndex = m_adjacencyList[index][i]; for (size_t j = 0; j < m_adjacencyList[otherIndex].size(); j++) { if (m_adjacencyList[otherIndex][j] == affectedIndex) m_adjacencyList[otherIndex][j] = index; } } // NOLINTEND(*) std::swap(m_edgeMap[index], m_edgeMap.back()); for (size_t i = 0; i < m_edgeMap[index].size(); i++) { size_t edgeIndex = m_edgeMap[index][i]; if (m_edgePairs[edgeIndex].first == affectedIndex) m_edgePairs[edgeIndex].first = index; if (m_edgePairs[edgeIndex].second == affectedIndex) m_edgePairs[edgeIndex].second = index; } if (m_vertexToSubgraph[index] >= 0) m_subgraphToVertices[m_vertexToSubgraph[index]].erase(index); std::swap(m_vertexToSubgraph[index], m_vertexToSubgraph.back()); if (m_vertexToSubgraph[index] >= 0) { m_subgraphToVertices[m_vertexToSubgraph[index]].erase(affectedIndex); m_subgraphToVertices[m_vertexToSubgraph[index]].insert(index); } } m_adjacencyList.pop_back(); m_edgeMap.pop_back(); m_vertexToSubgraph.pop_back(); } void Graph::swapVertexIndices(size_t a, size_t b) { // Swap all references to a and b in m_adjacencyList for (size_t i = 0; i < m_adjacencyList[a].size(); i++) { size_t otherIndex = m_adjacencyList[a][i]; if (otherIndex == b) continue; // NOLINTBEGIN(*) for (size_t j = 0; j < m_adjacencyList[otherIndex].size(); j++) { if (m_adjacencyList[otherIndex][j] == a) { m_adjacencyList[otherIndex][j] = b; break; } } // NOLINTEND(*) } for (size_t i = 0; i < m_adjacencyList[b].size(); i++) { size_t otherIndex = m_adjacencyList[b][i]; if (otherIndex == a) continue; // NOLINTBEGIN(*) for (size_t j = 0; j < m_adjacencyList[otherIndex].size(); j++) { if (m_adjacencyList[otherIndex][j] == b) { m_adjacencyList[otherIndex][j] = a; break; } } // NOLINTEND(*) } std::swap(m_adjacencyList[a], m_adjacencyList[b]); // Update m_edgePairs using info from m_edgeMap for (size_t i = 0; i < m_edgeMap[a].size(); i++) { size_t edgeIndex = m_edgeMap[a][i]; if (m_edgePairs[edgeIndex].first == a) { m_edgePairs[edgeIndex].first = b; if (m_edgePairs[edgeIndex].second == b) m_edgePairs[edgeIndex].second = a; } if (m_edgePairs[edgeIndex].second == a) { m_edgePairs[edgeIndex].second = b; if (m_edgePairs[edgeIndex].first == b) m_edgePairs[edgeIndex].first = a; } } for (size_t i = 0; i < m_edgeMap[b].size(); i++) { size_t edgeIndex = m_edgeMap[b][i]; if (m_edgePairs[edgeIndex].first == b && m_edgePairs[edgeIndex].second != a) m_edgePairs[edgeIndex].first = a; if (m_edgePairs[edgeIndex].second == b && m_edgePairs[edgeIndex].first != a) m_edgePairs[edgeIndex].second = a; } std::swap(m_edgeMap[a], m_edgeMap[b]); } size_t Graph::vertexCount() const { return m_adjacencyList.size(); } size_t Graph::addEdge(size_t a, size_t b) { assert(a < size()); assert(b < size()); if (b < a) std::swap(a, b); std::vector& neighborsA = m_adjacencyList[a]; std::vector& neighborsB = m_adjacencyList[b]; // Ensure edge does not exist already. if (std::find(neighborsA.begin(), neighborsA.end(), b) != neighborsA.end()) { // NOLINTBEGIN(*) for (size_t i = 0; i < m_edgeMap[a].size(); i++) { size_t edgeIndex = m_edgeMap[a][i]; if (m_edgePairs[edgeIndex].first == b || m_edgePairs[edgeIndex].second == b) return edgeIndex; } // NOLINTEND(*) } // Merge subgraphs int subgraphA = m_vertexToSubgraph[a]; int subgraphB = m_vertexToSubgraph[b]; if (subgraphA < 0 && subgraphB < 0) { int newSubgraph = createNewSubgraph(); m_vertexToSubgraph[a] = newSubgraph; m_vertexToSubgraph[b] = newSubgraph; m_subgraphToVertices[newSubgraph].insert(a); m_subgraphToVertices[newSubgraph].insert(b); m_loneVertices.erase(a); m_loneVertices.erase(b); } else if (subgraphA < 0) { m_vertexToSubgraph[a] = subgraphB; m_subgraphToVertices[subgraphB].insert(a); m_loneVertices.erase(a); } else if (subgraphB < 0) { m_vertexToSubgraph[b] = subgraphA; m_subgraphToVertices[subgraphA].insert(b); m_loneVertices.erase(b); } else if (subgraphA != subgraphB) { m_subgraphDirty[subgraphA] = m_subgraphDirty[subgraphA] || m_subgraphDirty[subgraphB]; for (size_t i : m_subgraphToVertices[subgraphB]) { m_subgraphToVertices[subgraphA].insert(i); if (i < m_vertexToSubgraph.size()) m_vertexToSubgraph[i] = subgraphA; else m_vertexToSubgraph.push_back(subgraphA); } // Just leave it empty, it could be reused m_subgraphToVertices[subgraphB].clear(); } // Add the edge to each vertex' adjacency list. neighborsA.push_back(b); neighborsB.push_back(a); // Add the edge to each vertex' incident edge list. size_t newEdgeIndex = edgeCount(); m_edgeMap[a].push_back(newEdgeIndex); m_edgeMap[b].push_back(newEdgeIndex); m_edgePairs.push_back(std::pair(a, b)); return newEdgeIndex; } std::set Graph::checkConectivity(size_t a, size_t b) const { if (a == b) { return std::set(); } std::set visited; bool connected = false; std::stack nextNeighbors; visited.insert(a); nextNeighbors.push(a); while (!nextNeighbors.empty()) { size_t visiting = nextNeighbors.top(); visited.insert(visiting); nextNeighbors.pop(); const std::vector& neighbors = m_adjacencyList[visiting]; for (const auto& n : neighbors) { if (visiting == b) { connected = true; } if (visited.find(n) == visited.end()) { visited.insert(n); nextNeighbors.push(n); } } } if (connected) { return std::set(); } return visited; } void Graph::removeEdge(size_t a, size_t b) { assert(a < size()); assert(b < size()); std::vector& neighborsA = m_adjacencyList[a]; std::vector& neighborsB = m_adjacencyList[b]; auto iter = std::find(neighborsA.begin(), neighborsA.end(), b); if (iter == neighborsA.end()) return; std::swap(*iter, neighborsA.back()); neighborsA.pop_back(); std::swap(*std::find(neighborsB.begin(), neighborsB.end(), a), neighborsB.back()); neighborsB.pop_back(); size_t edgeIndex; for (size_t i = 0; i < m_edgeMap[a].size(); i++) { edgeIndex = m_edgeMap[a][i]; const std::pair& pair = m_edgePairs[edgeIndex]; if (pair.first == b || pair.second == b) { std::swap(m_edgeMap[a][i], m_edgeMap[a].back()); m_edgeMap[a].pop_back(); break; } } for (size_t i = 0; i < m_edgeMap[b].size(); i++) { if (m_edgeMap[b][i] == edgeIndex) { std::swap(m_edgeMap[b][i], m_edgeMap[b].back()); m_edgeMap[b].pop_back(); break; } } std::swap(m_edgePairs[edgeIndex], m_edgePairs.back()); m_edgePairs.pop_back(); size_t affectedIndex = m_edgePairs.size(); if (affectedIndex != edgeIndex) { std::vector& edgeList1 = m_edgeMap[m_edgePairs[edgeIndex].first]; *std::find(edgeList1.begin(), edgeList1.end(), affectedIndex) = edgeIndex; std::vector& edgeList2 = m_edgeMap[m_edgePairs[edgeIndex].second]; *std::find(edgeList2.begin(), edgeList2.end(), affectedIndex) = edgeIndex; } // Mark the subgraph as dirty, leave the work for later if (m_vertexToSubgraph[a] >= 0) m_subgraphDirty[m_vertexToSubgraph[a]] = true; } void Graph::removeEdge(size_t edgeIndex) { assert(edgeIndex < edgeCount()); const std::pair& pair = m_edgePairs[edgeIndex]; removeEdge(pair.first, pair.second); } void Graph::removeEdges() { for (size_t i = 0; i < m_adjacencyList.size(); ++i) { m_adjacencyList[i].clear(); m_edgeMap[i].clear(); m_vertexToSubgraph[i] = -1; m_loneVertices.insert(i); } m_edgePairs.clear(); m_subgraphToVertices.clear(); m_subgraphDirty.clear(); } void Graph::removeEdges(size_t index) { m_vertexToSubgraph[index] = -1; m_loneVertices.insert(index); // Mark the subgraph as dirty, leave the work for later if (m_vertexToSubgraph[index] >= 0) m_subgraphDirty[m_vertexToSubgraph[index]] = true; const std::vector& edges = m_edgeMap[index]; for (size_t i = 0; i < edges.size(); ++i) removeEdge(edges[i]); } void Graph::editEdgeInPlace(size_t edgeIndex, size_t a, size_t b) { auto& pair = m_edgePairs[edgeIndex]; // Remove references to the deleted edge from both endpoints. for (size_t i = 0; i < m_edgeMap[pair.first].size(); i++) { std::swap(m_edgeMap[pair.first][i], m_edgeMap[pair.first].back()); m_edgeMap[pair.first].pop_back(); } for (size_t i = 0; i < m_edgeMap[pair.second].size(); i++) { std::swap(m_edgeMap[pair.second][i], m_edgeMap[pair.second].back()); m_edgeMap[pair.second].pop_back(); } m_edgeMap[a].push_back(edgeIndex); m_edgeMap[b].push_back(edgeIndex); pair.first = a; pair.second = b; } void Graph::swapEdgeIndices(size_t edgeIndex1, size_t edgeIndex2) { // Find the 4 endpoints of both edges. const std::pair& pair1 = m_edgePairs[edgeIndex1]; std::array changeTo2; // NOLINTBEGIN(*) for (size_t i = 0; i < m_edgeMap[pair1.first].size(); i++) { if (m_edgeMap[pair1.first][i] == edgeIndex1) { changeTo2[0] = &m_edgeMap[pair1.first][i]; } } for (size_t i = 0; i < m_edgeMap[pair1.second].size(); i++) { if (m_edgeMap[pair1.second][i] == edgeIndex1) { changeTo2[1] = &m_edgeMap[pair1.second][i]; } } const std::pair& pair2 = m_edgePairs[edgeIndex2]; std::array changeTo1; for (size_t i = 0; i < m_edgeMap[pair2.first].size(); i++) { if (m_edgeMap[pair2.first][i] == edgeIndex2) { changeTo1[0] = &m_edgeMap[pair2.first][i]; } } for (size_t i = 0; i < m_edgeMap[pair2.second].size(); i++) { if (m_edgeMap[pair2.second][i] == edgeIndex2) { changeTo1[1] = &m_edgeMap[pair2.second][i]; } } // NOLINTEND(*) /* Swap m_edgeMap values only after reading everything, to avoid race condition. */ *changeTo2[0] = edgeIndex2; *changeTo2[1] = edgeIndex2; *changeTo1[0] = edgeIndex1; *changeTo1[1] = edgeIndex1; std::swap(m_edgePairs[edgeIndex1], m_edgePairs[edgeIndex2]); } size_t Graph::edgeCount() const { return m_edgePairs.size(); } std::vector Graph::neighbors(size_t index) const { if (index == size()) { std::vector emptyVector; return std::vector(emptyVector); } assert(index < size()); return std::vector(m_adjacencyList[index]); } std::vector Graph::edges(size_t index) const { assert(index < size()); return std::vector(m_edgeMap[index]); } std::pair Graph::endpoints(size_t index) const { assert(index < edgeCount()); return std::pair(m_edgePairs[index]); } size_t Graph::degree(size_t index) const { return neighbors(index).size(); } bool Graph::containsEdge(size_t a, size_t b) const { assert(a < size()); assert(b < size()); const std::vector& neighborsA = neighbors(a); return std::find(neighborsA.begin(), neighborsA.end(), b) != neighborsA.end(); } const Array>& Graph::edgePairs() const { return m_edgePairs; } int Graph::createNewSubgraph() const { // Try to find an empty subgraph to reuse for (size_t i = 0; i < m_subgraphToVertices.size(); i++) { if (!m_subgraphToVertices[i].size()) { m_subgraphDirty[i] = false; return int(i); } } // Otherwise, extend the list int r = m_subgraphDirty.size(); m_subgraphToVertices.emplace_back(); m_subgraphDirty.push_back(false); return r; } void Graph::checkSplitSubgraph(int subgraph) const { if (!m_subgraphDirty[subgraph]) return; m_subgraphDirty[subgraph] = false; // First, set all vertices to subgraph -1 (meaning not visited) for (size_t i : m_subgraphToVertices[subgraph]) m_vertexToSubgraph[i] = -1; // Then, try to classify all vertices in some subgraph int currentSubgraph = subgraph; std::set inputVertices = m_subgraphToVertices[subgraph]; m_subgraphToVertices[subgraph] = std::set(); for (size_t i : inputVertices) { if (m_vertexToSubgraph[i] < 0) { if (currentSubgraph < 0) currentSubgraph = createNewSubgraph(); // Walk through all connected vertices std::vector verticesToVisit; verticesToVisit.push_back(i); do { size_t currentVertex = verticesToVisit.back(); verticesToVisit.pop_back(); // Assign new vertices to the current subgraph if (m_vertexToSubgraph[currentVertex] < 0) { m_vertexToSubgraph[currentVertex] = currentSubgraph; m_subgraphToVertices[currentSubgraph].insert(currentVertex); const std::vector neighborList = neighbors(currentVertex); verticesToVisit.insert(verticesToVisit.end(), neighborList.begin(), neighborList.end()); } } while (verticesToVisit.size()); currentSubgraph = -1; } } } void Graph::updateSubgraphs() const { for (size_t v : m_loneVertices) { int newSubgraph = createNewSubgraph(); m_vertexToSubgraph[v] = newSubgraph; m_subgraphToVertices[newSubgraph].insert(v); } m_loneVertices.clear(); for (size_t i = 0; i < m_subgraphToVertices.size(); i++) { checkSplitSubgraph(i); } } std::vector> Graph::connectedComponents() const { updateSubgraphs(); std::vector> r; for (const std::set& s : m_subgraphToVertices) { if (!s.empty()) r.push_back(s); } return r; } std::set Graph::connectedComponent(size_t index) const { size_t subgraphIndex = subgraph(index); return m_subgraphToVertices[subgraphIndex]; } size_t Graph::subgraphsCount() const { updateSubgraphs(); size_t r = 0; for (const std::set& s : m_subgraphToVertices) { if (!s.empty()) r++; } return r; } size_t Graph::subgraph(size_t element) const { int r = m_vertexToSubgraph[element]; // Index -1 means disconnected (its own subgraph) if (r < 0) { r = m_subgraphToVertices.size(); m_subgraphToVertices.push_back(std::set()); m_subgraphToVertices[r].insert(element); m_subgraphDirty[r] = false; return r; } if (m_subgraphDirty[r]) { checkSplitSubgraph(r); r = m_vertexToSubgraph[element]; } return r; } size_t Graph::subgraphCount(size_t element) const { int subgraphIndex = subgraph(element); return m_subgraphToVertices[subgraphIndex].size(); } size_t Graph::getConnectedID(size_t index) const { return subgraph(index); } } // namespace Avogadro::Core avogadrolibs-1.100.0/avogadro/core/graph.h000066400000000000000000000162501474375334400203530ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_GRAPH_H #define AVOGADRO_CORE_GRAPH_H #include "avogadrocoreexport.h" #include "array.h" #include #include namespace Avogadro::Core { /** * @class Graph graph.h * @brief The Graph class represents a graph data structure. * * A graph consists of vertices and edges, wherein every edge connects two * vertices. Each vertex is assigned an index, starting from 0 up to size() - 1. * Each edge is also assigned an index, from 0 to edgeCount() - 1. */ class AVOGADROCORE_EXPORT Graph { public: /** Creates a new, empty graph. */ Graph() = default; /** Creates a new graph containing size @p n vertices. */ explicit Graph(size_t n); /** Destroys the graph. */ ~Graph() = default; /** * Sets the number of vertices in the graph to size @p n. * * If @p n is smaller than \c size(), this removes all vertices with index * @p n or higher, as well as any edges connected to them, while preserving * all other vertices and edges. These vertices keep their existing indices, * while no guarantee is made regarding preserved edge indices. * * If @p n is larger than \c size(), a number of unconnected vertices are * added, up to the requested size. All existing vertices and edges are * preserved in their current form. */ void setSize(size_t n); /** @return the number of vertices in the graph. */ size_t size() const; /** @return \c true if the graph is empty (i.e. size() == \c 0). */ bool isEmpty() const; /** Removes all vertices and edges from the graph. */ void clear(); /** * Adds a vertex to the graph and returns its index. * The new vertex is initially not connected. All existing vertices and edges * are preserved and their indices unchanged. */ size_t addVertex(); /** * Removes the vertex at @p index from the graph, as well as all edges to it. * If @p index is not the highest vertex index in the graph, the vertex with * highest index will be assigned the index of the removed vertex. All other * vertices will keep their indices. No guarantees are made regarding edge * indices. */ void removeVertex(size_t index); /** * Swaps two vertices' indices, without affecting connectivity. * All other vertices and all edges keep their existing indices. */ void swapVertexIndices(size_t a, size_t b); /** @return the number of vertices in the graph. */ size_t vertexCount() const; /** * Adds an edge between vertices @p a and @p b and returns its index. * All existing vertices and edges are preserved unchanged. */ size_t addEdge(size_t a, size_t b); /** * Removes the edge between vertices @p a and @p b. * All vertices keep their indices. If the removed edge has an index lower * than the highest edge index in the graph, the edge with the highest index * is given the index of the removed edge. All other edges remain unchanged. */ void removeEdge(size_t a, size_t b); /** * Removes edge with index @p edgeIndex. * All vertices keep their indices. If @p edgeIndex is lower than the highest * edge index in the graph, the edge with the highest index is given the index * of the removed edge. All other edges remain unchanged. */ void removeEdge(size_t edgeIndex); /** Removes all of the edges from the graph, without affecting vertices. */ void removeEdges(); /** * Removes all of the edges that contain the vertex at @p index from the * graph. */ void removeEdges(size_t index); /** * Removes the edge at @p edgeIndex, and creates a new one between vertices * @p a and @p b, with the same index as the removed edge. All other edges and * vertices keep their current indices. */ void editEdgeInPlace(size_t edgeIndex, size_t a, size_t b); /** * Swaps two edges' indices, without affecting connectivity. * All other edges and all vertices keep their current indices. */ void swapEdgeIndices(size_t edgeIndex1, size_t edgeIndex2); /** @return the number of edges in the graph. */ size_t edgeCount() const; /** * @return a vector containing the indices of each vertex that the vertex at * index shares an edge with. */ std::vector neighbors(size_t index) const; /** * @return a vector containing the indices of each edge that the vertex at * @p index is an endpoint of; that is, the edges incident at it. */ std::vector edges(size_t index) const; /** * @return the indices of the two vertices that the edge at @p index connects; * that is, its endpoints. */ std::pair endpoints(size_t edgeIndex) const; /** @return the degree of the vertex at @p index. */ size_t degree(size_t index) const; /** * @return \c true if the graph contains an edge between vertices @p a and * @p b. */ bool containsEdge(size_t a, size_t b) const; /** * @return an array with all edges, where every element contains the indices * of both endpoints of the edge with index equal to the element's array index. */ const Array>& edgePairs() const; /** * @return a vector of vector containing the indices of each vertex in each * connected component in the graph. */ std::vector> connectedComponents() const; /** * @return a set containing the indices of each vertex connected with @p * index. */ std::set connectedComponent(size_t index) const; /** @return the number of connected subgraphs. */ size_t subgraphsCount() const; /** @return the subgraph ID of the connected subgraph @p index lies in. */ size_t subgraph(size_t index) const; /** * @return the size of the connected subgraph that includes @p index, * that is, the number of connected vertices in it. */ size_t subgraphCount(size_t index) const; /** * @return the subgraph ID of the connected subgraph @p index lies in. */ size_t getConnectedID(size_t index) const; private: std::set checkConectivity(size_t a, size_t b) const; std::vector> m_adjacencyList; std::vector> m_edgeMap; Array> m_edgePairs; /** @return the (new or reused) index of a newly created empty subgraph. */ int createNewSubgraph() const; /** * If @p subgraph is marked as dirty, traverse it * to check if it has split into many new subgraphs, * and mark the resulting subgraph(s) as clean. */ void checkSplitSubgraph(int subgraph) const; /** * Traverse and mark clean all dirty subgraphs, * and create new subgraphs for all lone vertices. * All subgraph data becomes synchronized as a result. */ void updateSubgraphs() const; mutable std::vector m_vertexToSubgraph; mutable std::vector> m_subgraphToVertices; mutable std::vector m_subgraphDirty; mutable std::set m_loneVertices; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_GRAPH_H avogadrolibs-1.100.0/avogadro/core/layer.cpp000066400000000000000000000044251474375334400207220ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "layer.h" #include namespace Avogadro::Core { void Layer::addAtom(size_t layer) { addAtom(layer, m_atomAndLayers.size()); } void Layer::addAtom(size_t layer, Index atom) { assert(layer <= m_maxLayer); if (atom == m_atomAndLayers.size()) { m_atomAndLayers.push_back(layer); } else if (atom > m_atomAndLayers.size()) { m_atomAndLayers.resize(layer + 1, MaxIndex); m_atomAndLayers[atom] = layer; } else { m_atomAndLayers[atom] = layer; } } void Layer::addAtomToActiveLayer(Index atom) { addAtom(m_activeLayer, atom); } void Layer::setActiveLayer(size_t layer) { assert(layer <= m_maxLayer + 1); m_activeLayer = layer; } void Layer::removeAtom(Index atom) { m_atomAndLayers.swapAndPop(atom); } void Layer::addLayer() { ++m_maxLayer; } void Layer::addLayer(size_t layer) { assert(layer <= m_maxLayer + 1); for (auto& atomLayer : m_atomAndLayers) { if (atomLayer >= layer) { ++atomLayer; } } ++m_maxLayer; } size_t Layer::getLayerID(Index atom) const { if (atom >= m_atomAndLayers.size()) { return MaxIndex; } else { return m_atomAndLayers[atom]; } } void Layer::clear() { m_atomAndLayers.clear(); m_activeLayer = m_maxLayer = 0; } size_t Layer::activeLayer() const { return m_activeLayer; } size_t Layer::maxLayer() const { return m_maxLayer; } size_t Layer::atomCount() const { return m_atomAndLayers.size(); } void Layer::removeLayer(size_t layer) { assert(layer <= m_maxLayer); if (m_maxLayer >= 1) { for (auto it = m_atomAndLayers.begin(); it != m_atomAndLayers.end();) { if (*it == layer) { it = m_atomAndLayers.erase(it); } else { if (*it > layer) { --(*it); } ++it; } } --m_maxLayer; } } void Layer::swapLayer(Index a, Index b) { // Allow Argument Dependent Lookup for swap using std::swap; swap(m_atomAndLayers[a], m_atomAndLayers[b]); } size_t Layer::layerCount() const { return m_maxLayer + 1; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/core/layer.h000066400000000000000000000036221474375334400203650ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_LAYER_H #define AVOGADRO_CORE_LAYER_H #include "avogadrocoreexport.h" #include "avogadrocore.h" #include namespace Avogadro::Core { /** * @class Layer layer.h * @brief The Layer class represents a relation one to one between atoms ID * and layer ID, and stores the unique active layer. * Layer's ID are consecutively and there can't be a ID bigger than @p * m_maxLayer. */ class AVOGADROCORE_EXPORT Layer { public: Layer() = default; ~Layer() = default; // att atom to param layer void addAtom(size_t layer); void addAtom(size_t layer, Index atom); void addAtomToActiveLayer(Index atom); void removeAtom(Index atom); void removeLayer(size_t layer); /** @return the layer ID from the @p atom. */ size_t getLayerID(Index atom) const; /** @return the active Layer. */ size_t activeLayer() const; /** @return the maximum layer allowed. */ size_t maxLayer() const; /** @return the number of layers. */ size_t layerCount() const; /** @return The number of atoms. */ size_t atomCount() const; /** remove all IDs. */ void clear(); /** increase the maximum layer allowed .*/ void addLayer(); /** insert a layer at @p layer, equal or bigger previous layers will be * shifted. */ void addLayer(size_t layer); /** change @p m_activeLayer. */ void setActiveLayer(size_t layer); /** swap the layer ID from @p a and @p b. */ void swapLayer(Index a, Index b); private: Core::Array m_atomAndLayers; size_t m_activeLayer = 0; size_t m_maxLayer = 0; }; } // namespace Avogadro::Core #endif avogadrolibs-1.100.0/avogadro/core/layermanager.cpp000066400000000000000000000051321474375334400222510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "layermanager.h" #include namespace Avogadro::Core { using std::make_shared; using std::map; using std::shared_ptr; const Molecule* LayerManager::m_activeMolecule = nullptr; map> LayerManager::m_molToInfo; Layer& LayerManager::getMoleculeLayer() { assert(m_activeMolecule != nullptr); auto it = m_molToInfo.find(m_activeMolecule); assert(it != m_molToInfo.end()); return it->second->layer; } Layer& LayerManager::getMoleculeLayer(const Molecule* mol) { assert(mol != nullptr); auto it = m_molToInfo.find(mol); if (it == m_molToInfo.end()) { m_molToInfo[mol] = make_shared(mol); } return m_molToInfo[mol]->layer; } shared_ptr LayerManager::getMoleculeInfo() { assert(m_activeMolecule != nullptr); return m_molToInfo[m_activeMolecule]; } shared_ptr LayerManager::getMoleculeInfo(const Molecule* mol) { assert(mol != nullptr); auto it = m_molToInfo.find(mol); if (it == m_molToInfo.end()) { m_molToInfo[mol] = make_shared(mol); } return m_molToInfo[mol]; } Layer& LayerManager::getMoleculeLayer(const Molecule* original, const Molecule* copy) { assert(original != nullptr); assert(copy != nullptr); auto it = m_molToInfo.find(original); if (it == m_molToInfo.end()) { auto molecule = make_shared(original); m_molToInfo[original] = molecule; m_molToInfo[copy] = molecule; return m_molToInfo[original]->layer; } else { m_molToInfo[copy] = it->second; return it->second->layer; } } void LayerManager::deleteMolecule(const Molecule* mol) { assert(mol != nullptr); auto aux = m_molToInfo.find(mol); if (aux != m_molToInfo.end()) { auto id = aux->second->mol; if (id == mol) { auto it = m_molToInfo.begin(); while (it != m_molToInfo.end()) { if (id == it->second->mol) { it = m_molToInfo.erase(it); } else { ++it; } } } else { if (m_activeMolecule == mol) { m_activeMolecule = aux->second->mol; } m_molToInfo.erase(aux); } } } size_t LayerManager::layerCount() { assert(m_activeMolecule != nullptr); return m_molToInfo[m_activeMolecule]->layer.maxLayer() + 1; } } // namespace Avogadro::Core avogadrolibs-1.100.0/avogadro/core/layermanager.h000066400000000000000000000063231474375334400217210ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_LAYERMANAGER_H #define AVOGADRO_CORE_LAYERMANAGER_H #include "avogadrocoreexport.h" #include "array.h" #include "layer.h" #include #include #include #include #include #include namespace Avogadro::Core { class Molecule; /** * @class LayerData layermanager.h * @brief Interface to store layer data structure. */ struct LayerData { LayerData(std::string save = "") { deserialize(save); } /** save custom data, base save should never be called */ virtual std::string serialize() { return ""; } /** load the saved @p save data and wait to know the class type to recreate it */ virtual void deserialize(std::string save) { m_save = save; } virtual ~LayerData() = default; virtual LayerData* clone() { return new LayerData(serialize()); }; /** get the saved data */ std::string getSave() const { return m_save; } protected: std::string boolToString(bool b) { return b ? "true" : "false"; } bool stringToBool(std::string b) { return b == "true"; } std::string m_save; }; /** * @class MoleculeInfo layermanager.h * @brief All layer dependent data. Original molecule @p mol, is layer hidden * @p visible, accepts edits @p locked, and key-value data like @p enable, * and custom data @p settings. */ struct MoleculeInfo { const Molecule* mol; std::vector visible; std::vector locked; std::map> enable; std::map> settings; Layer layer; std::set loaded; MoleculeInfo(const Molecule* m) : mol(m) { locked.push_back(false); visible.push_back(true); } void clear() { visible.clear(); locked.clear(); enable.clear(); layer.clear(); } }; /** * @class LayerManager layermanager.h * @brief */ class AVOGADROCORE_EXPORT LayerManager { public: /** @return active molecule Layer */ static Layer& getMoleculeLayer(); /** @return Layer from @p mol and creates MoleculeInfo if not exists */ static Layer& getMoleculeLayer(const Molecule* mol); /** @return Layer from @p original and links @p original MoleculeInfo to @p * copy */ static Layer& getMoleculeLayer(const Molecule* original, const Molecule* copy); /** @return the MoleculeInfo from active molecule */ static std::shared_ptr getMoleculeInfo(); /** @return the MoleculeInfo from @p mol */ static std::shared_ptr getMoleculeInfo(const Molecule* mol); /** remove all data related to @p mol */ static void deleteMolecule(const Molecule* mol); /** @return the layer quantity from activeMolecule */ static size_t layerCount(); protected: static const Molecule* m_activeMolecule; static std::map> m_molToInfo; }; } // namespace Avogadro::Core #endif avogadrolibs-1.100.0/avogadro/core/matrix.h000066400000000000000000000016421474375334400205550ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_MATRIX_H #define AVOGADRO_CORE_MATRIX_H #include "avogadrocore.h" #include namespace Avogadro { /** Typedefs for vector types. */ using Matrix2 = Eigen::Matrix; using Matrix3 = Eigen::Matrix; using Matrix4 = Eigen::Matrix; using MatrixX = Eigen::Matrix; using Matrix2f = Eigen::Matrix; using Matrix3f = Eigen::Matrix; using Matrix4f = Eigen::Matrix; using MatrixXf = Eigen::Matrix; } // end Avogadro namespace #endif // AVOGADRO_CORE_MATRIX_H avogadrolibs-1.100.0/avogadro/core/mdlvalence_p.h000066400000000000000000000321071474375334400217020ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_MDLVALENCE_P_H #define AVOGADRO_CORE_MDLVALENCE_P_H namespace Avogadro::Core { /** * Calculate the full valency (e.g. number of expected bonds) for a given atom. * This function is adapted from the MDL valence model to indicate when an atom * is overbonded. * @param atomicNumber Atomic number of atom. * @param charge Formal charge of atom. * @param numBonds Number of existing bonds to atom. * @return The total number of expected bonds to the atom to satisfy valency. * May be less than @a numBonds if atom is overbonded. */ static unsigned int atomValence(const unsigned char atomicNumber, const int charge, const unsigned int numBonds) { switch (atomicNumber) { case 1: // H case 3: // Li case 11: // Na case 19: // K case 37: // Rb case 55: // Cs case 87: // Fr if (charge == 0) return 1; break; case 4: // Be case 12: // Mg case 20: // Ca case 38: // Sr case 56: // Ba case 88: // Ra switch (charge) { case 0: return 2; case 1: return 1; } break; case 5: // B switch (charge) { case -4: return 1; case -3: return 2; case -2: if (numBonds <= 3) return 3; return 5; case -1: return 4; case 0: return 3; case 1: return 2; case 2: return 1; } break; case 6: // C switch (charge) { case -3: return 1; case -2: return 2; case -1: if (numBonds <= 3) return 3; return 5; case 0: return 4; case 1: return 3; case 2: return 2; case 3: return 1; } break; case 7: // N switch (charge) { case -2: return 1; case -1: return 2; case 0: if (numBonds != 5) return 3; return 5; case 1: return 4; case 2: return 3; case 3: return 2; case 4: return 1; } break; case 8: // O switch (charge) { case -1: return 1; case 0: return 2; case 1: if (numBonds <= 3) return 3; return 5; case 2: return 4; case 3: return 3; case 4: return 2; case 5: return 1; } break; case 9: // F switch (charge) { case 0: return 1; case 1: return 2; case 2: if (numBonds <= 3) return 3; return 5; case 3: return 4; case 4: return 3; case 5: return 2; case 6: return 1; } break; case 13: // Al switch (charge) { case -4: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case -3: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case -2: if (numBonds <= 3) return 3; return 5; case -1: return 4; case 0: return 3; case 1: return 2; case 2: return 1; } break; case 14: // Si switch (charge) { case -3: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case -2: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case -1: if (numBonds <= 3) return 3; return 5; case 0: return 4; case 1: return 3; case 2: return 2; case 3: return 1; } break; case 15: // P switch (charge) { case -2: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case -1: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case 0: if (numBonds <= 3) return 3; return 5; case 1: return 4; case 2: return 3; case 3: return 2; case 4: return 1; } break; case 16: // S switch (charge) { case -1: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case 0: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case 1: if (numBonds <= 3) return 3; return 5; case 2: return 4; case 3: return 3; case 4: return 2; case 5: return 1; } break; case 17: // Cl switch (charge) { case 0: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case 1: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case 2: if (numBonds <= 3) return 3; return 5; case 3: return 4; case 4: return 3; case 5: return 2; case 6: return 1; } break; case 31: // Ga switch (charge) { case -4: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case -3: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case -2: if (numBonds <= 3) return 3; return 5; case -1: return 4; case 0: return 3; case 2: return 1; } break; case 32: // Ge switch (charge) { case -3: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case -2: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case -1: if (numBonds <= 3) return 3; return 5; case 0: return 4; case 1: return 3; case 3: return 1; } break; case 33: // As switch (charge) { case -2: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case -1: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case 0: if (numBonds <= 3) return 3; return 5; case 1: return 4; case 2: return 3; case 4: return 1; } break; case 34: // Se switch (charge) { case -1: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case 0: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case 1: if (numBonds <= 3) return 3; return 5; case 2: return 4; case 3: return 3; case 5: return 1; } break; case 35: // Br switch (charge) { case 0: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case 1: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case 2: if (numBonds <= 3) return 3; return 5; case 3: return 4; case 4: return 3; case 6: return 1; } break; case 49: // In switch (charge) { case -4: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case -3: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case -2: if (numBonds <= 3) return 3; return 5; case -1: if (numBonds <= 2) return 2; return 4; case 0: return 3; case 2: return 1; } break; case 50: // Sn case 82: // Pb switch (charge) { case -3: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case -2: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case -1: if (numBonds <= 3) return 3; return 5; case 0: if (numBonds <= 2) return 2; return 4; case 1: return 3; case 3: return 1; } break; case 51: // Sb case 83: // Bi switch (charge) { case -2: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case -1: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case 0: if (numBonds <= 3) return 3; return 5; case 1: if (numBonds <= 2) return 2; return 4; case 2: return 3; case 4: return 1; } break; case 52: // Te case 84: // Po switch (charge) { case -1: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case 0: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case 1: if (numBonds <= 3) return 3; return 5; case 2: if (numBonds <= 2) return 2; return 4; case 3: return 3; case 5: return 1; } break; case 53: // I case 85: // At switch (charge) { case 0: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case 1: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case 2: if (numBonds <= 3) return 3; return 5; case 3: if (numBonds <= 2) return 2; return 4; case 4: return 3; case 6: return 1; } break; case 81: // Tl switch (charge) { case -4: if (numBonds <= 1) return 1; if (numBonds <= 3) return 3; if (numBonds <= 5) return 5; return 7; case -3: if (numBonds <= 2) return 2; if (numBonds <= 4) return 4; return 6; case -2: if (numBonds <= 3) return 3; return 5; case -1: if (numBonds <= 2) return 2; return 4; case 0: if (numBonds <= 1) return 1; return 3; } break; } return numBonds; } } // end namespace Avogadro::Core #endif // AVOGADRO_CORE_MDLVALENCE_P_Havogadrolibs-1.100.0/avogadro/core/mesh.cpp000066400000000000000000000137271474375334400205470ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "mesh.h" #include "mutex.h" #include "neighborperceiver.h" namespace Avogadro::Core { Mesh::Mesh() : m_stable(true), m_other(0), m_cube(0), m_lock(new Mutex) { m_vertices.reserve(100); m_normals.reserve(100); m_colors.reserve(1); } Mesh::Mesh(const Mesh& other) : m_vertices(other.m_vertices), m_normals(other.m_normals), m_colors(other.m_colors), m_name(other.m_name), m_stable(true), m_isoValue(other.m_isoValue), m_other(other.m_other), m_cube(other.m_cube), m_lock(new Mutex), m_triangles(other.m_triangles) { } Mesh::~Mesh() { delete m_lock; m_lock = nullptr; } bool Mesh::reserve(unsigned int size, bool useColors) { m_vertices.reserve(size); m_normals.reserve(size); if (useColors) m_colors.reserve(size); return true; } void Mesh::setStable(bool isStable) { m_stable = isStable; } bool Mesh::stable() { return m_stable; } const Core::Array& Mesh::vertices() const { return m_vertices; } const Vector3f* Mesh::vertex(int n) const { return &(m_vertices[n * 3]); } bool Mesh::setTriangles(const Core::Array& values) { m_triangles.clear(); m_triangles = values; return true; } const Core::Array&Mesh::triangles() const { return m_triangles; } bool Mesh::setVertices(const Core::Array& values) { m_vertices.clear(); m_vertices = values; return true; } bool Mesh::addVertices(const Core::Array& values) { if (m_vertices.capacity() < m_vertices.size() + values.size()) m_vertices.reserve(m_vertices.capacity() * 2); if (values.size() % 3 == 0) { for (const auto & value : values) m_vertices.push_back(value); return true; } else { return false; } } const Core::Array& Mesh::normals() const { return m_normals; } const Vector3f* Mesh::normal(int n) const { return &(m_normals[n * 3]); } bool Mesh::setNormals(const Core::Array& values) { m_normals.clear(); m_normals = values; return true; } bool Mesh::addNormals(const Core::Array& values) { if (m_normals.capacity() < m_normals.size() + values.size()) m_normals.reserve(m_normals.capacity() * 2); if (values.size() % 3 == 0) { for (const auto & value : values) m_normals.push_back(value); return true; } else { return false; } } const Core::Array& Mesh::colors() const { return m_colors; } const Color3f* Mesh::color(int n) const { // If there is only one color return that, otherwise colored by vertex. if (m_colors.size() == 1) return m_colors.data(); else return &(m_colors[n * 3]); } bool Mesh::setColors(const Core::Array& values) { m_colors.clear(); m_colors = values; return true; } bool Mesh::addColors(const Core::Array& values) { if (m_colors.capacity() < m_colors.size() + values.size()) m_colors.reserve(m_colors.capacity() * 2); if (values.size() % 3 == 0) { for (auto value : values) m_colors.push_back(value); return true; } else { return false; } } bool Mesh::valid() const { return (m_vertices.size() == m_normals.size()) && (m_colors.size() == 1 || m_colors.size() == m_vertices.size()); } bool Mesh::clear() { m_vertices.clear(); m_normals.clear(); m_colors.clear(); return true; } Mesh& Mesh::operator=(const Mesh& other) { m_vertices = other.m_vertices; m_normals = other.m_vertices; m_colors = other.m_colors; m_name = other.m_name; m_isoValue = other.m_isoValue; m_triangles = other.m_triangles; return *this; } void Mesh::smooth(int iterationCount) { if (m_vertices.empty() || iterationCount <= 0) return; // Build vertex adjacency information from triangles (1-ring) std::vector> adjacencyList(m_vertices.size()); for (const auto& tri : m_triangles) { size_t i = static_cast(tri.x()); size_t j = static_cast(tri.y()); size_t k = static_cast(tri.z()); adjacencyList[i].push_back(j); adjacencyList[i].push_back(k); adjacencyList[j].push_back(i); adjacencyList[j].push_back(k); adjacencyList[k].push_back(i); adjacencyList[k].push_back(j); } // Remove duplicate neighbors and sort for faster lookups later (if needed) for (auto& neighbors : adjacencyList) { std::sort(neighbors.begin(), neighbors.end()); neighbors.erase(std::unique(neighbors.begin(), neighbors.end()), neighbors.end()); } float weight = 1.0f; for (int iteration = 0; iteration < iterationCount; ++iteration) { Array newVertices = m_vertices; // Store smoothed vertices for (size_t i = 0; i < m_vertices.size(); ++i) { Vector3f sum(0.0f, 0.0f, 0.0f); size_t neighborCount = adjacencyList[i].size(); if (neighborCount > 0) { // Prevent division by zero for isolated vertices for (size_t neighbor : adjacencyList[i]) { sum += m_vertices[neighbor]; } sum += weight * m_vertices[i]; newVertices[i] = sum / (weight + neighborCount); } // Else keep the original vertex position if isolated } m_vertices = newVertices; // Update vertices after processing all } m_normals.clear(); m_normals.resize(m_vertices.size(), Vector3f(0.0f, 0.0f, 0.0f)); for (const auto& tri : m_triangles) { size_t i = static_cast(tri.x()); size_t j = static_cast(tri.y()); size_t k = static_cast(tri.z()); Vector3f a = m_vertices[i]; Vector3f b = m_vertices[j]; Vector3f c = m_vertices[k]; Vector3f triangleNormal = (b - a).cross(c - a).normalized(); m_normals[i] += triangleNormal; m_normals[j] += triangleNormal; m_normals[k] += triangleNormal; } for (auto& normal : m_normals) { normal.normalize(); } } } // End namespace Avogadro::Core avogadrolibs-1.100.0/avogadro/core/mesh.h000066400000000000000000000136671474375334400202170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_MESH_H #define AVOGADRO_CORE_MESH_H #include "avogadrocoreexport.h" #include "array.h" #include "color3f.h" #include "vector.h" namespace Avogadro::Core { class Molecule; class Mutex; /** * @class Mesh mesh.h * @brief Encapsulation of a triangular mesh that makes up a surface. * @author Marcus D. Hanwell * * The Mesh class is a data container that provides a Mesh object. All * meshes should be owned by a Molecule. It should also be removed by the * Molecule that owns it. Meshes encapsulate triangular meshes that can also * have colors associated with each vertex. */ class MeshPrivate; class AVOGADROCORE_EXPORT Mesh { public: /** * Constructor. */ Mesh(); /** * Copy constructor */ Mesh(const Mesh& other); /** * Destructor. */ ~Mesh(); /** * Reserve the expected space for the mesh. This causes all member array * storage to call the reserve function with the number specified. * @param size Expected size of the mesh. * @param colors Should the colors array reserve this space too? Defaults * to false. * @return True on success. */ bool reserve(unsigned int size, bool colors = false); /** * This function allows long running calculations to mark the mesh as in * progress. * @param stable Indicate that the Mesh is currently being modified. */ void setStable(bool stable); /** * Indicate whether the Mesh is complete or currently being modified. In * general using Mesh values from an unstable Mesh is not advisable. * @return True if the Mesh is complete, false if it is being modified. */ bool stable(); /** * Set the iso value that was used to generate the Mesh. */ void setIsoValue(float value) { m_isoValue = value; } /** * @return The iso value used to generate the Mesh. */ float isoValue() const { return m_isoValue; } /** * Set the unique id of the other Mesh if this Mesh is part of a pair. */ void setOtherMesh(unsigned int other) { m_other = other; } /** * @return The unique id of the other Mesh if this is part of a pair. */ unsigned int otherMesh() const { return m_other; } /** * Set the unique id of the Cube the Mesh was generated from. */ void setCube(unsigned int cube_) { m_cube = cube_; } /** * @return The unique id of the Cube the Mesh was generated from. */ unsigned int cube() const { return m_cube; } /** * @return Array containing all of the vertices in a one dimensional array. */ const Core::Array& vertices() const; /** * @return The number of vertices. */ unsigned int numVertices() const { return static_cast(m_vertices.size()); } /** * @return Pointer to the first vertex of the specified triangle. */ const Vector3f* vertex(int n) const; bool setTriangles(const Core::Array& values); const Core::Array& triangles() const; /** * Clear the vertices vector and assign new values. */ bool setVertices(const Core::Array& values); /** * Add one or more vertices, i.e., the array is expected to be of length * 3 x n where n is an integer. */ bool addVertices(const Core::Array& values); /** * @return Array containing all of the normals in a one-dimensional array. */ const Core::Array& normals() const; /** * @return The number of normals. */ unsigned int numNormals() const { return static_cast(m_normals.size()); } /** * @return Pointer to the first normal of the specified triangle. */ const Vector3f* normal(int n) const; /** * Clear the normals array and assign new values. */ bool setNormals(const Core::Array& values); /** * Add one or more normals, i.e., the array is expected to be of length * 3 x n where n is an integer. */ bool addNormals(const Core::Array& values); /** * @return Array containing all of the colors in a one-dimensional array. */ const Core::Array& colors() const; /** * @return Pointer to the first color of the specified triangle. */ const Color3f* color(int n) const; /** * Clear the colors array and assign new values. */ bool setColors(const Core::Array& values); /** * Add one or more normals, i.e., the array is expected to be of length * 3 x n where n is an integer. */ bool addColors(const Core::Array& values); /** * Sanity checking function - is the mesh sane? * @return True if the Mesh object is sane and composed of the right number * of elements. */ bool valid() const; /** * Clear all mesh data. * @return True on success. */ bool clear(); /** * Overloaded operator. */ Mesh& operator=(const Mesh& other); /** * Set the name of the Mesh. */ void setName(const std::string& name_) { m_name = name_; } /** * @return The name of the Mesh. */ std::string name() const { return m_name; } /** * Provides locking. */ Mutex* lock() const { return m_lock; } /** * Applies Laplacian smoothing. * @param iterationCount number of smoothing passes to make. */ void smooth(int iterationCount = 6); friend class Molecule; private: Core::Array m_vertices; Core::Array m_normals; Core::Array m_colors; Core::Array m_triangles; std::string m_name; bool m_stable; float m_isoValue; unsigned int m_other; // Unique id of the other mesh if this is part of a pair unsigned int m_cube; // Unique id of the cube this mesh was generated from Mutex* m_lock; }; } // End namespace Avogadro::Core #endif // AVOGADRO_CORE_MESH_H avogadrolibs-1.100.0/avogadro/core/molecule.cpp000066400000000000000000001172211474375334400214120ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "molecule.h" #include "basisset.h" #include "cube.h" #include "elements.h" #include "gaussianset.h" #include "layermanager.h" #include "mdlvalence_p.h" #include "mesh.h" #include "neighborperceiver.h" #include "residue.h" #include "slaterset.h" #include "unitcell.h" #include #include #include namespace Avogadro::Core { Molecule::Molecule() : m_basisSet(nullptr), m_unitCell(nullptr), m_layers(LayerManager::getMoleculeLayer(this)) { m_elements.reset(); } Molecule::Molecule(const Molecule& other) : m_data(other.m_data), m_partialCharges(other.m_partialCharges), m_spectra(other.m_spectra), m_customElementMap(other.m_customElementMap), m_elements(other.m_elements), m_positions2d(other.m_positions2d), m_positions3d(other.m_positions3d), m_atomLabels(other.m_atomLabels), m_bondLabels(other.m_bondLabels), m_coordinates3d(other.m_coordinates3d), m_timesteps(other.m_timesteps), m_hybridizations(other.m_hybridizations), m_formalCharges(other.m_formalCharges), m_colors(other.m_colors), m_vibrationFrequencies(other.m_vibrationFrequencies), m_vibrationIRIntensities(other.m_vibrationIRIntensities), m_vibrationRamanIntensities(other.m_vibrationRamanIntensities), m_vibrationLx(other.m_vibrationLx), m_selectedAtoms(other.m_selectedAtoms), m_meshes(std::vector()), m_cubes(std::vector()), m_basisSet(other.m_basisSet ? other.m_basisSet->clone() : nullptr), m_unitCell(other.m_unitCell ? new UnitCell(*other.m_unitCell) : nullptr), m_residues(other.m_residues), m_hallNumber(other.m_hallNumber), m_graph(other.m_graph), m_bondOrders(other.m_bondOrders), m_atomicNumbers(other.m_atomicNumbers), m_frozenAtomMask(other.m_frozenAtomMask), m_layers(LayerManager::getMoleculeLayer(this)) { // Copy over any meshes for (Index i = 0; i < other.meshCount(); ++i) { Mesh* m = addMesh(); *m = *other.mesh(i); } // Copy over any cubes for (Index i = 0; i < other.cubeCount(); ++i) { Cube* c = addCube(); *c = *other.cube(i); } // Copy layers, if they exist if (other.m_layers.maxLayer() > 0) m_layers = LayerManager::getMoleculeLayer(&other, this); else { // make sure all the atoms are in the active layer for (Index i = 0; i < atomCount(); ++i) m_layers.addAtomToActiveLayer(i); } } void Molecule::readProperties(const Molecule& other) { m_atomLabels = other.m_atomLabels; m_bondLabels = other.m_bondLabels; m_colors = other.m_colors; // merge data maps by iterating through other's map for (auto it = other.m_data.constBegin(); it != other.m_data.constEnd(); ++it) { // even if we have the same key, we want to overwrite m_data.setValue(it->first, it->second); } // merge partial charge maps for (auto it = other.m_partialCharges.cbegin(); it != other.m_partialCharges.cend(); ++it) { m_partialCharges[it->first] = it->second; } // copy spectra m_spectra = other.m_spectra; // copy orbital information SlaterSet* slaterSet = dynamic_cast(other.m_basisSet); if (slaterSet != nullptr) { m_basisSet = slaterSet->clone(); m_basisSet->setMolecule(this); } GaussianSet* gaussianSet = dynamic_cast(other.m_basisSet); if (gaussianSet != nullptr) { m_basisSet = gaussianSet->clone(); m_basisSet->setMolecule(this); } // copy over spectra information if (other.m_vibrationFrequencies.size() > 0) { m_vibrationFrequencies = other.m_vibrationFrequencies; m_vibrationIRIntensities = other.m_vibrationIRIntensities; m_vibrationRamanIntensities = other.m_vibrationRamanIntensities; m_vibrationLx = other.m_vibrationLx; } // Copy over any meshes for (Index i = 0; i < other.meshCount(); ++i) { Mesh* m = addMesh(); *m = *other.mesh(i); } // Copy over any cubes for (Index i = 0; i < other.cubeCount(); ++i) { Cube* c = addCube(); *c = *other.cube(i); } } Molecule::Molecule(Molecule&& other) noexcept : m_data(other.m_data), m_partialCharges(std::move(other.m_partialCharges)), m_spectra(other.m_spectra), m_customElementMap(std::move(other.m_customElementMap)), m_elements(other.m_elements), m_positions2d(other.m_positions2d), m_positions3d(other.m_positions3d), m_atomLabels(other.m_atomLabels), m_bondLabels(other.m_bondLabels), m_coordinates3d(other.m_coordinates3d), m_timesteps(other.m_timesteps), m_hybridizations(other.m_hybridizations), m_formalCharges(other.m_formalCharges), m_colors(other.m_colors), m_vibrationFrequencies(other.m_vibrationFrequencies), m_vibrationIRIntensities(other.m_vibrationIRIntensities), m_vibrationRamanIntensities(other.m_vibrationRamanIntensities), m_vibrationLx(other.m_vibrationLx), m_selectedAtoms(std::move(other.m_selectedAtoms)), m_meshes(std::move(other.m_meshes)), m_cubes(std::move(other.m_cubes)), m_residues(other.m_residues), m_hallNumber(other.m_hallNumber), m_graph(other.m_graph), m_bondOrders(other.m_bondOrders), m_atomicNumbers(other.m_atomicNumbers), m_frozenAtomMask(other.m_frozenAtomMask), m_layers(LayerManager::getMoleculeLayer(this)) { m_basisSet = other.m_basisSet; other.m_basisSet = nullptr; m_unitCell = other.m_unitCell; other.m_unitCell = nullptr; // Copy the layers, only if they exist if (other.m_layers.maxLayer() > 0) m_layers = LayerManager::getMoleculeLayer(&other, this); else { // make sure all the atoms are in the active layer for (Index i = 0; i < atomCount(); ++i) m_layers.addAtomToActiveLayer(i); } } Molecule& Molecule::operator=(const Molecule& other) { if (this != &other) { m_data = other.m_data; m_partialCharges = other.m_partialCharges; m_spectra = other.m_spectra; m_customElementMap = other.m_customElementMap; m_elements = other.m_elements; m_positions2d = other.m_positions2d; m_positions3d = other.m_positions3d; m_atomLabels = other.m_atomLabels; m_bondLabels = other.m_bondLabels; m_coordinates3d = other.m_coordinates3d; m_timesteps = other.m_timesteps; m_hybridizations = other.m_hybridizations; m_formalCharges = other.m_formalCharges; m_colors = other.m_colors, m_vibrationFrequencies = other.m_vibrationFrequencies; m_vibrationIRIntensities = other.m_vibrationIRIntensities; m_vibrationRamanIntensities = other.m_vibrationRamanIntensities; m_vibrationLx = other.m_vibrationLx; m_selectedAtoms = other.m_selectedAtoms; m_residues = other.m_residues; m_graph = other.m_graph; m_bondOrders = other.m_bondOrders; m_atomicNumbers = other.m_atomicNumbers; m_hallNumber = other.m_hallNumber; m_frozenAtomMask = other.m_frozenAtomMask; clearMeshes(); // Copy over any meshes for (Index i = 0; i < other.meshCount(); ++i) { Mesh* m = addMesh(); *m = *other.mesh(i); } clearCubes(); // Copy over any cubes for (Index i = 0; i < other.cubeCount(); ++i) { Cube* c = addCube(); *c = *other.cube(i); } delete m_basisSet; m_basisSet = other.m_basisSet ? other.m_basisSet->clone() : nullptr; delete m_unitCell; m_unitCell = other.m_unitCell ? new UnitCell(*other.m_unitCell) : nullptr; // Copy the layers, only if they exist if (other.m_layers.maxLayer() > 0) m_layers = LayerManager::getMoleculeLayer(&other, this); else { // make sure all the atoms are in the active layer for (Index i = 0; i < atomCount(); ++i) m_layers.addAtomToActiveLayer(i); } } return *this; } Molecule& Molecule::operator=(Molecule&& other) noexcept { if (this != &other) { m_data = other.m_data; m_partialCharges = std::move(other.m_partialCharges); m_spectra = other.m_spectra; m_customElementMap = std::move(other.m_customElementMap); m_elements = other.m_elements; m_positions2d = other.m_positions2d; m_positions3d = other.m_positions3d; m_atomLabels = other.m_atomLabels; m_bondLabels = other.m_bondLabels; m_coordinates3d = other.m_coordinates3d; m_timesteps = other.m_timesteps; m_hybridizations = other.m_hybridizations; m_formalCharges = other.m_formalCharges; m_colors = other.m_colors; m_vibrationFrequencies = other.m_vibrationFrequencies; m_vibrationIRIntensities = other.m_vibrationIRIntensities; m_vibrationRamanIntensities = other.m_vibrationRamanIntensities; m_vibrationLx = other.m_vibrationLx; m_selectedAtoms = std::move(other.m_selectedAtoms); m_residues = other.m_residues; m_graph = other.m_graph; m_bondOrders = other.m_bondOrders; m_atomicNumbers = other.m_atomicNumbers; m_hallNumber = other.m_hallNumber; m_frozenAtomMask = other.m_frozenAtomMask; clearMeshes(); m_meshes = std::move(other.m_meshes); clearCubes(); m_cubes = std::move(other.m_cubes); delete m_basisSet; m_basisSet = other.m_basisSet; other.m_basisSet = nullptr; delete m_unitCell; m_unitCell = other.m_unitCell; other.m_unitCell = nullptr; // Copy the layers, if they exist if (other.m_layers.maxLayer() > 0) m_layers = LayerManager::getMoleculeLayer(&other, this); else { // make sure all the atoms are in the active layer for (Index i = 0; i < atomCount(); ++i) m_layers.addAtomToActiveLayer(i); } } return *this; } Molecule::~Molecule() { // LayerManager::deleteMolecule(this); delete m_basisSet; delete m_unitCell; clearMeshes(); clearCubes(); } Layer& Molecule::layer() { return m_layers; } const Layer& Molecule::layer() const { return m_layers; } void Molecule::setPartialCharges(const std::string& type, const MatrixX& value) { if (static_cast(value.size()) != atomCount()) return; m_partialCharges[type] = value; } MatrixX Molecule::partialCharges(const std::string& type) const { auto search = m_partialCharges.find(type); if (search != m_partialCharges.end()) { return search->second; // value from the map } else { MatrixX charges(atomCount(), 1); charges.fill(0.0); return charges; } } std::set Molecule::partialChargeTypes() const { std::set types; for (auto& it : m_partialCharges) types.insert(it.first); return types; } std::set Molecule::spectraTypes() const { std::set types; for (auto& it : m_spectra) types.insert(it.first); return types; } void Molecule::setSpectra(const std::string& type, const MatrixX& value) { m_spectra[type] = value; } MatrixX Molecule::spectra(const std::string& type) const { MatrixX value; auto search = m_spectra.find(type); if (search != m_spectra.end()) { value = search->second; // value from the map } return value; } void Molecule::setFrozenAtom(Index atomId, bool frozen) { if (atomId >= m_atomicNumbers.size()) return; // check if we need to resize unsigned int size = m_frozenAtomMask.rows(); if (m_frozenAtomMask.rows() != 3 * m_atomicNumbers.size()) m_frozenAtomMask.conservativeResize(3 * m_atomicNumbers.size()); // do we need to initialize new values? if (m_frozenAtomMask.rows() > size) for (unsigned int i = size; i < m_frozenAtomMask.rows(); ++i) m_frozenAtomMask[i] = 1.0; float value = frozen ? 0.0 : 1.0; if (atomId * 3 <= m_frozenAtomMask.rows() - 3) { m_frozenAtomMask[atomId * 3] = value; m_frozenAtomMask[atomId * 3 + 1] = value; m_frozenAtomMask[atomId * 3 + 2] = value; } } bool Molecule::frozenAtom(Index atomId) const { bool frozen = false; if (atomId * 3 <= m_frozenAtomMask.rows() - 3) { frozen = (m_frozenAtomMask[atomId * 3] == 0.0 && m_frozenAtomMask[atomId * 3 + 1] == 0.0 && m_frozenAtomMask[atomId * 3 + 2] == 0.0); } return frozen; } void Molecule::setFrozenAtomAxis(Index atomId, int axis, bool frozen) { // check if we need to resize unsigned int size = m_frozenAtomMask.rows(); if (m_frozenAtomMask.rows() != 3 * m_atomicNumbers.size()) m_frozenAtomMask.conservativeResize(3 * m_atomicNumbers.size()); // do we need to initialize new values? if (m_frozenAtomMask.rows() > size) for (unsigned int i = size; i < m_frozenAtomMask.rows(); ++i) m_frozenAtomMask[i] = 1.0; float value = frozen ? 0.0 : 1.0; if (atomId * 3 <= m_frozenAtomMask.rows() - 3) { m_frozenAtomMask[atomId * 3 + axis] = value; } } void Molecule::setData(const std::string& name, const Variant& value) { m_data.setValue(name, value); } Variant Molecule::data(const std::string& name) const { return m_data.value(name); } bool Molecule::hasData(const std::string& name) const { return m_data.hasValue(name); } void Molecule::setDataMap(const VariantMap& map) { m_data = map; } const VariantMap& Molecule::dataMap() const { return m_data; } VariantMap& Molecule::dataMap() { return m_data; } Array& Molecule::hybridizations() { return m_hybridizations; } const Array& Molecule::hybridizations() const { return m_hybridizations; } Array& Molecule::formalCharges() { return m_formalCharges; } const Array& Molecule::formalCharges() const { return m_formalCharges; } signed char Molecule::totalCharge() const { signed char charge = 0; // check the data map first if (m_data.hasValue("totalCharge")) { charge = m_data.value("totalCharge").toInt(); } else if (m_formalCharges.size() > 0) { for (Index i = 0; i < m_formalCharges.size(); ++i) charge += m_formalCharges[i]; return charge; } return charge; // should be zero } char Molecule::totalSpinMultiplicity() const { char spin = 1; // check the data map first if (m_data.hasValue("totalSpinMultiplicity")) { spin = m_data.value("totalSpinMultiplicity").toInt(); } else { // add up the electrons unsigned long electrons = 0; for (Index i = 0; i < m_atomicNumbers.size(); ++i) electrons += m_atomicNumbers[i]; // adjust by the total charge electrons -= totalCharge(); // if there are an even number of electrons, the spin is 1 // if there are an odd number of electrons, the spin is 2 // (might not be true, but a good default for many molecules) // %todo - adjust for inorganic / organometallics if (electrons % 2 == 0) spin = 1; else spin = 2; } return spin; // should be zero } Array& Molecule::colors() { return m_colors; } const Array& Molecule::colors() const { return m_colors; } Array& Molecule::atomPositions2d() { return m_positions2d; } const Array& Molecule::atomPositions2d() const { return m_positions2d; } Array& Molecule::atomPositions3d() { return m_positions3d; } const Array& Molecule::atomPositions3d() const { return m_positions3d; } const Molecule::CustomElementMap& Molecule::customElementMap() const { return m_customElementMap; } void Molecule::setCustomElementMap(const Molecule::CustomElementMap& map) { m_customElementMap = map; } Molecule::AtomType Molecule::addAtom(unsigned char number) { m_graph.addVertex(); m_atomicNumbers.push_back(number); // we're not going to easily handle custom elements if (number <= element_count) m_elements.set(number); else m_elements.set(element_count - 1); // custom element m_layers.addAtomToActiveLayer(atomCount() - 1); m_partialCharges.clear(); return AtomType(this, static_cast(atomCount() - 1)); } Molecule::AtomType Molecule::addAtom(unsigned char number, Vector3 position3d) { if (m_positions3d.size() == atomCount()) { m_positions3d.push_back(position3d); } return Molecule::addAtom(number); } void Molecule::swapBond(Index a, Index b) { // Allow Argument Dependent Lookup for swap using std::swap; m_graph.swapEdgeIndices(a, b); swap(m_bondOrders[a], m_bondOrders[b]); } void Molecule::swapAtom(Index a, Index b) { // Allow Argument Dependent Lookup for swap using std::swap; Index max = a > b ? a : b; if (m_positions2d.size() >= max) swap(m_positions2d[a], m_positions2d[b]); if (m_positions3d.size() >= max) swap(m_positions3d[a], m_positions3d[b]); if (m_hybridizations.size() >= max) swap(m_hybridizations[a], m_hybridizations[b]); if (m_formalCharges.size() >= max) swap(m_formalCharges[a], m_formalCharges[b]); if (m_colors.size() >= max) swap(m_colors[a], m_colors[b]); swap(m_atomicNumbers[a], m_atomicNumbers[b]); m_graph.swapVertexIndices(a, b); m_layers.swapLayer(a, b); } bool Molecule::removeAtom(Index index) { if (index >= atomCount()) return false; if (m_positions2d.size() == atomCount()) m_positions2d.swapAndPop(index); if (m_positions3d.size() == atomCount()) m_positions3d.swapAndPop(index); if (m_hybridizations.size() == atomCount()) m_hybridizations.swapAndPop(index); if (m_formalCharges.size() == atomCount()) m_formalCharges.swapAndPop(index); if (m_colors.size() == atomCount()) m_colors.swapAndPop(index); if (m_selectedAtoms.size() == atomCount()) { // swap and pop on std::vector if (index != m_selectedAtoms.size() - 1) { m_selectedAtoms[index] = m_selectedAtoms.back(); } m_selectedAtoms.pop_back(); } m_partialCharges.clear(); removeBonds(index); // before we remove, check if there's any other atom of this element // (e.g., we removed the last oxygen) auto elementToRemove = m_atomicNumbers[index]; bool foundAnother = false; for (Index i = 0; i < atomCount(); ++i) { if (i == index) continue; if (m_atomicNumbers[index] == elementToRemove) { foundAnother = true; break; // we're done } } if (!foundAnother) m_elements.reset(elementToRemove); m_atomicNumbers.swapAndPop(index); m_graph.removeVertex(index); m_layers.removeAtom(index); return true; } bool Molecule::removeAtom(const AtomType& atom_) { return removeAtom(atom_.index()); } void Molecule::clearAtoms() { m_positions2d.clear(); m_positions3d.clear(); m_atomLabels.clear(); m_hybridizations.clear(); m_formalCharges.clear(); m_colors.clear(); m_atomicNumbers.clear(); m_bondOrders.clear(); m_bondLabels.clear(); m_graph.clear(); m_partialCharges.clear(); m_elements.reset(); } Molecule::AtomType Molecule::atom(Index index) const { assert(index < atomCount()); return AtomType(const_cast(this), index); } Molecule::BondType Molecule::addBond(Index atom1, Index atom2, unsigned char order) { assert(atom1 < m_atomicNumbers.size()); assert(atom2 < m_atomicNumbers.size()); Index index = bond(atom1, atom2).index(); if (index >= bondCount()) { m_graph.addEdge(atom1, atom2); m_bondOrders.push_back(order); index = static_cast(m_graph.edgeCount() - 1); } else { m_bondOrders[index] = order; } // any existing charges are invalidated m_partialCharges.clear(); return BondType(this, index); } Molecule::BondType Molecule::addBond(const AtomType& a, const AtomType& b, unsigned char order) { assert(a.isValid() && a.molecule() == this); assert(b.isValid() && b.molecule() == this); return addBond(a.index(), b.index(), order); } size_t calcNlogN(size_t n) { size_t aproxLog = 1; auto aux = static_cast(n); while (aux > 2.0f) { aux /= 2.0f; ++aproxLog; } return n * aproxLog; } bool Molecule::removeBond(Index index) { if (index >= bondCount()) return false; m_graph.removeEdge(index); m_bondOrders.swapAndPop(index); m_partialCharges.clear(); return true; } bool Molecule::removeBond(const BondType& bond_) { return removeBond(bond_.index()); } bool Molecule::removeBond(Index a, Index b) { return removeBond(bond(a, b).index()); } bool Molecule::removeBond(const AtomType& a, const AtomType& b) { return removeBond(bond(a, b).index()); } void Molecule::clearBonds() { m_bondOrders.clear(); m_graph.removeEdges(); m_graph.setSize(atomCount()); m_partialCharges.clear(); } Molecule::BondType Molecule::bond(Index index) const { assert(index < bondCount()); return BondType(const_cast(this), index); } Molecule::BondType Molecule::bond(const AtomType& a, const AtomType& b) const { assert(a.isValid() && a.molecule() == this); assert(b.isValid() && b.molecule() == this); return bond(a.index(), b.index()); } Molecule::BondType Molecule::bond(Index atomId1, Index atomId2) const { assert(atomId1 < atomCount()); assert(atomId2 < atomCount()); const std::vector& edgeIndices = m_graph.edges(atomId1); for (unsigned long index : edgeIndices) { const std::pair& pair = m_graph.endpoints(index); if (pair.first == atomId2 || pair.second == atomId2) return BondType(const_cast(this), index); } return BondType(); } Array Molecule::bonds(const AtomType& a) { if (!a.isValid()) return Array(); return bonds(a.index()); } Array Molecule::bonds(Index a) const { Array atomBonds; if (a < atomCount()) { const std::vector& edgeIndices = m_graph.edges(a); for (unsigned long index : edgeIndices) { if (m_graph.endpoints(index).first == a || m_graph.endpoints(index).second == a) { // work around to consult bonds without breaking constantness atomBonds.push_back(new BondType(const_cast(this), index)); } } } std::sort(atomBonds.begin(), atomBonds.end(), [](const BondType*& ba, const BondType*& bb) { return ba->index() < bb->index(); }); return atomBonds; } Array Molecule::bonds(Index a) { Array atomBonds; if (a < atomCount()) { const std::vector& edgeIndices = m_graph.edges(a); for (unsigned long index : edgeIndices) { auto bond = bondPair(index); if (bond.first == a || bond.second == a) atomBonds.push_back(BondType(this, index)); } } std::sort(atomBonds.begin(), atomBonds.end(), [](BondType& ba, BondType& bb) { return ba.index() < bb.index(); }); return atomBonds; } Mesh* Molecule::addMesh() { m_meshes.push_back(new Mesh); return m_meshes.back(); } Mesh* Molecule::mesh(Index index) { if (index < static_cast(m_meshes.size())) return m_meshes[index]; else return nullptr; } const Mesh* Molecule::mesh(Index index) const { if (index < static_cast(m_meshes.size())) return m_meshes[index]; else return nullptr; } void Molecule::clearMeshes() { while (!m_meshes.empty()) { delete m_meshes.back(); m_meshes.pop_back(); } } Cube* Molecule::addCube() { m_cubes.push_back(new Cube); return m_cubes.back(); } Cube* Molecule::cube(Index index) { if (index < static_cast(m_cubes.size())) return m_cubes[index]; else return nullptr; } const Cube* Molecule::cube(Index index) const { if (index < static_cast(m_cubes.size())) return m_cubes[index]; else return nullptr; } void Molecule::clearCubes() { while (!m_cubes.empty()) { delete m_cubes.back(); m_cubes.pop_back(); } } std::string Molecule::formula(const std::string& delimiter, int over) const { // Adapted from chemkit: // A map of atomic symbols to their quantity. std::map componentsCount = composition(); std::stringstream result; std::map::iterator iter; // Carbons first iter = componentsCount.find(6); if (iter != componentsCount.end()) { result << "C"; if (iter->second > static_cast(over)) result << delimiter << iter->second; componentsCount.erase(iter); // If carbon is present, hydrogens are next. iter = componentsCount.find(1); if (iter != componentsCount.end()) { result << delimiter << "H"; if (iter->second > static_cast(over)) result << delimiter << iter->second; componentsCount.erase(iter); } } // The rest: iter = componentsCount.begin(); while (iter != componentsCount.end()) { result << delimiter << Elements::symbol(iter->first); if (iter->second > static_cast(over)) result << delimiter << iter->second; ++iter; } return result.str(); } void Molecule::setUnitCell(UnitCell* uc) { if (uc != m_unitCell) { delete m_unitCell; m_unitCell = uc; } } double Molecule::mass() const { double m(0.0); for (Index i = 0; i < atomCount(); ++i) m += Elements::mass(atom(i).atomicNumber()); return m; } Vector3 Molecule::centerOfGeometry() const { Vector3 center(0.0, 0.0, 0.0); for (Index i = 0; i < atomCount(); ++i) center += atom(i).position3d(); return center / atomCount(); } Vector3 Molecule::centerOfMass() const { Vector3 center(0.0, 0.0, 0.0); for (Index i = 0; i < atomCount(); ++i) { AtomType curr_atom = atom(i); center += (curr_atom.position3d() * Elements::mass(curr_atom.atomicNumber())); } center /= mass(); center /= atomCount(); return center; } double Molecule::radius() const { double radius = 0.0; if (atomCount() > 0) { radius = (centerOfGeometry() - atom(0).position3d()).norm(); } return radius; } std::pair Molecule::bestFitPlane() const { return bestFitPlane(atomPositions3d()); } std::pair Molecule::bestFitPlane(const Array& pos) { // copy coordinates to matrix in Eigen format size_t num_atoms = pos.size(); assert(num_atoms >= 3); Eigen::Matrix coord( 3, num_atoms); for (size_t i = 0; i < num_atoms; ++i) { coord.col(i) = pos[i]; } // calculate centroid Vector3 centroid = coord.rowwise().mean(); // subtract centroid coord.colwise() -= centroid; // we only need the left-singular matrix auto svd = coord.jacobiSvd(Eigen::ComputeThinU | Eigen::ComputeThinV); Vector3 plane_normal = svd.matrixU().rightCols<1>(); return std::make_pair(centroid, plane_normal); } Array Molecule::vibrationFrequencies() const { return m_vibrationFrequencies; } void Molecule::setVibrationFrequencies(const Array& freq) { m_vibrationFrequencies = freq; } Array Molecule::vibrationIRIntensities() const { return m_vibrationIRIntensities; } void Molecule::setVibrationIRIntensities(const Array& intensities) { m_vibrationIRIntensities = intensities; } Array Molecule::vibrationRamanIntensities() const { return m_vibrationRamanIntensities; } void Molecule::setVibrationRamanIntensities(const Array& intensities) { m_vibrationRamanIntensities = intensities; } Array Molecule::vibrationLx(int mode) const { if (mode >= 0 && mode < static_cast(m_vibrationLx.size())) return m_vibrationLx[mode]; return Array(); } void Molecule::setVibrationLx(const Array>& lx) { m_vibrationLx = lx; } void Molecule::perceiveBondOrders() { // check for coordinates and that there are some bonds if (m_positions3d.size() != atomCount() || m_positions3d.size() < 2 || m_graph.edgeCount() == 0) return; // save the existing bonds and bond orders // first calculate the unsaturated valence for every atom Array originalBonds = m_bondOrders; Array unsaturatedValence(atomCount(), 0); bool anyUnsaturated = false; for (Index i = 0; i < atomCount(); ++i) { unsigned char boSum = 0; for (auto bond : bonds(i)) { boSum += bond.order(); } unsaturatedValence[i] = atomValence(atomicNumber(i), formalCharge(i), bonds(i).size()) - boSum; if (unsaturatedValence[i] > 0) anyUnsaturated = true; } Index startIndex = 0; Index initialAtom = 0; while (anyUnsaturated) { // okay, we're first going to try placing *one* bond from our start atom // .. then we can try placing bonds anywhere // find the first atom with unsaturated valence of ONE bool foundStart = false; for (Index i = startIndex; i < atomCount(); ++i) { if (unsaturatedValence[i] == 1) { startIndex = i; foundStart = true; break; } } // if we didn't find an atom with unsaturated valence of ONE, // .. then find *something* if (!foundStart) { for (Index i = startIndex; i < atomCount(); ++i) { if (unsaturatedValence[i] > 0) { startIndex = i; foundStart = true; break; } } } if (foundStart) { // std::cerr << "Found start index " << startIndex << std::endl; // look at the neighbors of our start atom Index bestIndex = MaxIndex; unsigned bestValence = 256; // something impossible Real bestDistance = 100.0; // 10 Angstroms squared Vector3 startPosition = m_positions3d[startIndex]; // iterate through the Indexes of the neighbors for (auto neighbor : graph().neighbors(startIndex)) { // if this neighbor doesn't have an unsaturated valence, skip it if (unsaturatedValence[neighbor] == 0) { continue; } if (unsaturatedValence[neighbor] < bestValence) { bestIndex = neighbor; bestValence = unsaturatedValence[neighbor]; bestDistance = (m_positions3d[neighbor] - startPosition).squaredNorm(); } else if (unsaturatedValence[neighbor] == bestValence) { // check if this neighbor is closer Real distance = (m_positions3d[neighbor] - startPosition).squaredNorm(); if (distance < bestDistance) { bestIndex = neighbor; bestDistance = distance; } } } // if we found a neighbor, then we can assign a bond order and update // charges if (bestIndex != MaxIndex) { /*std::cerr << "Assigning bond " << startIndex << " " << bestIndex << std::endl; */ // assign the bond order m_bondOrders[bond(startIndex, bestIndex).index()] += 1; // update the unsaturated valence of the start atom unsaturatedValence[startIndex] -= 1; // update the unsaturated valence of the neighbor atom unsaturatedValence[bestIndex] -= 1; startIndex = 0; // we can now try placing bonds anywhere } else { startIndex += 1; } } // TODO: update the current formal charges anyUnsaturated = false; // check if we're done for (Index i = 0; i < atomCount(); ++i) { if (unsaturatedValence[i] > 0) { anyUnsaturated = true; break; } } if (!foundStart && anyUnsaturated) { // we've gone through and it's not working // try a new starting atom and reset the bond orders // std::cerr << " didn't work " << initialAtom << std::endl; initialAtom += 1; startIndex = initialAtom; for (Index i = 0; i < m_bondOrders.size(); ++i) { unsigned change = m_bondOrders[i] - originalBonds[i]; if (change > 0) { // update the valences unsaturatedValence[bond(i).atom1().index()] += change; unsaturatedValence[bond(i).atom2().index()] += change; } m_bondOrders[i] = originalBonds[i]; } } if (initialAtom >= atomCount()) { break; } } // keep going until we've assigned all the bond orders } void Molecule::perceiveBondsSimple(const double tolerance, const double min) { // check for coordinates if (m_positions3d.size() != atomCount() || m_positions3d.size() < 2) return; // cache atomic radii std::vector radii(atomCount()); double max_radius = 0.0; for (size_t i = 0; i < radii.size(); i++) { radii[i] = Elements::radiusCovalent(atomicNumber(i)); if (radii[i] <= 0.0) radii[i] = 2.0; if (radii[i] > max_radius) max_radius = radii[i]; } float maxDistance = 2.0 * max_radius + tolerance; auto neighborPerceiver = NeighborPerceiver(m_positions3d, maxDistance); // check for bonds // O(n) average-case, O(n^2) worst-case // note that the "worst case" here would need to be an invalid molecule Array neighbors; for (Index i = 0; i < atomCount(); i++) { Vector3 ipos = m_positions3d[i]; neighborPerceiver.getNeighborsInclusiveInPlace(neighbors, ipos); for (unsigned long j : neighbors) { double cutoff = radii[i] + radii[j] + tolerance; Vector3 jpos = m_positions3d[j]; Vector3 diff = jpos - ipos; // Don't automatically bond nobel gases to anything switch (atomicNumber(i)) { case 2: // He case 10: // Ne case 18: // Ar case 36: // Kr continue; default: break; } // now for the other atom switch (atomicNumber(j)) { case 2: // He case 10: // Ne case 18: // Ar case 36: // Kr continue; default: break; } if (std::fabs(diff[0]) > cutoff || std::fabs(diff[1]) > cutoff || std::fabs(diff[2]) > cutoff || (atomicNumber(i) == 1 && atomicNumber(j) == 1)) continue; // check radius and add bond if needed double cutoffSq = cutoff * cutoff; double diffsq = diff.squaredNorm(); if (diffsq < cutoffSq && diffsq > min * min) addBond(atom(i), atom(j), 1); } } } void Molecule::perceiveBondsFromResidueData() { for (auto& m_residue : m_residues) { m_residue.resolveResidueBonds(*this); } } int Molecule::coordinate3dCount() { return static_cast(m_coordinates3d.size()); } bool Molecule::setCoordinate3d(int coord) { if (coord >= 0 && coord < static_cast(m_coordinates3d.size())) { m_positions3d = m_coordinates3d[coord]; return true; } return false; } void Molecule::clearCoordinate3d() { m_coordinates3d.clear(); } Array Molecule::coordinate3d(int index) const { return m_coordinates3d[index]; } bool Molecule::setCoordinate3d(const Array& coords, int index) { if (static_cast(m_coordinates3d.size()) <= index) m_coordinates3d.resize(index + 1); m_coordinates3d[index] = coords; return true; } double Molecule::timeStep(int index, bool& status) { if (static_cast(m_timesteps.size()) <= index) { status = false; return 0.0; } status = true; return m_timesteps[index]; } bool Molecule::setTimeStep(double timestep, int index) { if (static_cast(m_timesteps.size()) <= index) m_timesteps.resize(index + 1); m_timesteps[index] = timestep; return true; } Array& Molecule::forceVectors() { return m_forceVectors; } const Array& Molecule::forceVectors() const { return m_forceVectors; } Residue& Molecule::addResidue(std::string& name, Index& number, char& id) { Residue newResidue(name, number, id); m_residues.push_back(newResidue); return m_residues[m_residues.size() - 1]; } void Molecule::addResidue(Residue& residue) { m_residues.push_back(residue); } Residue& Molecule::residue(Index index) { return m_residues[index]; } Index Molecule::residueCount() const { return static_cast(m_residues.size()); } bool Molecule::setBondPairs(const Array>& pairs) { if (pairs.size() == bondCount()) { Index bond = 0; for (const auto& pair : pairs) { setBondPair(bond, pair); ++bond; } return true; } return false; } bool Molecule::setBondPair(Index bondId, const std::pair& pair) { if (bondId < bondCount()) { m_graph.editEdgeInPlace(bondId, pair.first, pair.second); return true; } return false; } unsigned char Molecule::bondOrder(Index bondId) const { return bondId < m_bondOrders.size() ? m_bondOrders[bondId] : 0; } bool Molecule::setBondOrders(const Array& orders) { if (orders.size() == bondCount()) { m_bondOrders = orders; return true; } return false; } bool Molecule::setBondOrder(Index bondId, unsigned char order) { if (bondId < bondCount()) { m_bondOrders[bondId] = order; return true; } return false; } Index Molecule::atomCount(unsigned char number) const { Index count(0); for (unsigned char m_atomicNumber : m_atomicNumbers) { if (m_atomicNumber == number) ++count; } return count; } bool Molecule::setAtomicNumbers(const Core::Array& nums) { if (nums.size() == atomCount()) { m_atomicNumbers = nums; // update element mask m_elements.reset(); // update colors too if (nums.size() == m_colors.size()) { for (Index i = 0; i < nums.size(); ++i) { m_colors[i] = Vector3ub(Elements::color(m_atomicNumbers[i])); m_elements.set(m_atomicNumbers[i]); } } return true; } return false; } bool Molecule::setAtomicNumber(Index atomId, unsigned char number) { if (atomId < atomCount()) { m_atomicNumbers[atomId] = number; // recalculate the element mask m_elements.reset(); for (unsigned char m_atomicNumber : m_atomicNumbers) { m_elements.set(m_atomicNumber); } // update colors too if (atomId < m_colors.size()) m_colors[atomId] = Vector3ub(Elements::color(number)); return true; } return false; } bool Molecule::hasCustomElements() const { for (unsigned char m_atomicNumber : m_atomicNumbers) { if (Core::isCustomElement(m_atomicNumber)) return true; } return false; } std::map Molecule::composition() const { // A map of atomic symbols to their quantity. std::map composition; for (unsigned char m_atomicNumber : m_atomicNumbers) { ++composition[m_atomicNumber]; } return composition; } bool Molecule::removeBonds(Index atom) { if (atom >= atomCount()) return false; while (true) { const std::vector& bondList = m_graph.edges(atom); if (!bondList.size()) break; size_t bond = bondList[0]; removeBond(bond); } return true; } Array> Molecule::getAtomBonds(Index index) const { Array> result; const std::vector& edgeIndices = m_graph.edges(index); for (unsigned long edgeIndice : edgeIndices) { result.push_back(m_graph.endpoints(edgeIndice)); } return result; } Array Molecule::getAtomOrders(Index index) const { Array result; const std::vector& edgeIndices = m_graph.edges(index); for (unsigned long edgeIndice : edgeIndices) { result.push_back(m_bondOrders[edgeIndice]); } return result; } void Molecule::addBonds(const Array>& bonds, const Array& orders) { Index i = 0; for (auto p : bonds) { addBond(p.first, p.second, orders[i]); ++i; } } std::list Molecule::getAtomsAtLayer(size_t layer) { std::list result; // get the index in decreasing order so deleting won't corrupt data for (Index i = atomCount(); i > 0; --i) { if (m_layers.getLayerID(i - 1) == layer) { result.push_back(i - 1); } } return result; } void Molecule::boundingBox(Vector3& boxMin, Vector3& boxMax, const double radius) const { boxMin.setConstant(std::numeric_limits::max()); boxMax.setConstant(-std::numeric_limits::max()); const bool noSelection = isSelectionEmpty(); for (uint32_t i = 0; i < atomCount(); i++) { if (noSelection || m_selectedAtoms[i]) { const Vector3 boxMinBuffer = atom(i).position3d().array() - radius; const Vector3 boxMaxBuffer = atom(i).position3d().array() + radius; boxMin.x() = std::min(boxMinBuffer.x(), boxMin.x()); boxMin.y() = std::min(boxMinBuffer.y(), boxMin.y()); boxMin.z() = std::min(boxMinBuffer.z(), boxMin.z()); boxMax.x() = std::max(boxMaxBuffer.x(), boxMax.x()); boxMax.y() = std::max(boxMaxBuffer.y(), boxMax.y()); boxMax.z() = std::max(boxMaxBuffer.z(), boxMax.z()); } } } } // namespace Avogadro::Core avogadrolibs-1.100.0/avogadro/core/molecule.h000066400000000000000000001037051474375334400210610ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_MOLECULE_H #define AVOGADRO_CORE_MOLECULE_H #include "avogadrocoreexport.h" #include "avogadrocore.h" #include "array.h" #include "bond.h" #include "elements.h" #include "graph.h" #include "layer.h" #include "variantmap.h" #include "vector.h" #include #include #include #include namespace Avogadro::Core { class BasisSet; class Cube; class Mesh; class Residue; class UnitCell; /** Concrete atom/bond proxy classes for Core::Molecule. @{ */ class Atom; class Bond; /** @} */ /** * @class Molecule molecule.h * @brief The Molecule class represents a chemical molecule. */ class AVOGADROCORE_EXPORT Molecule { public: /** Typedef for Atom class. */ using AtomType = Atom; /** Typedef for Bond class. */ using BondType = Bond; /** Type for custom element map. */ using CustomElementMap = std::map; /** Type for element masks (e.g., does this molecule contain certain elements) */ using ElementMask = std::bitset; /** Creates a new, empty molecule. */ Molecule(); /** Copy constructor */ Molecule(const Molecule& other); /** Move constructor */ Molecule(Molecule&& other) noexcept; /** Assignment operator */ Molecule& operator=(const Molecule& other); /** Move assignment operator */ Molecule& operator=(Molecule&& other) noexcept; /** Destroys the molecule object. */ virtual ~Molecule(); /** * Adds the properties from the supplied * molecule to this molecule. Does not otherwise * modify atoms / bonds / residues, etc. */ void readProperties(const Molecule& other); /** Sets the data value with @p name to @p value. */ void setData(const std::string& name, const Variant& value); /** @return the data value for @p name. */ Variant data(const std::string& name) const; /** * @return true if the molecule has data with the given key, false otherwise. */ bool hasData(const std::string& name) const; /** Set the molecule's variant data to the entries in map. */ void setDataMap(const VariantMap& map); /** @return the molecule's variant data. */ const VariantMap& dataMap() const; /** \overload */ VariantMap& dataMap(); /** @return a specific spectra entry */ MatrixX spectra(const std::string& name) const; /** Sets the spectra value with @p name to @p value. */ void setSpectra(const std::string& name, const MatrixX& value); /** @return the list of available spectra */ std::set spectraTypes() const; /** Sets atomic partial charges with @p type to @p value. */ void setPartialCharges(const std::string& type, const MatrixX& value); /** @return the atomic partial charges of type @p type */ MatrixX partialCharges(const std::string& type) const; /** @return the types of partial charges available stored with this molecule. */ std::set partialChargeTypes() const; /** @return a vector of hybridizations for the atoms in the molecule. */ Array& hybridizations(); /** \overload */ const Array& hybridizations() const; /** * Get the hybridization for the requested atom. * @param atomId The index of the atom. * @return The hybridization of the atom indexed at @a atomId, or * 0 if @a atomId is invalid. */ AtomHybridization hybridization(Index atomId) const; /** * Replace the current array of hybridizations. * @param hybs The new hybridization array. Must be of length atomCount(). * @return True on success, false otherwise. */ bool setHybridizations(const Core::Array& hybs); /** * Set the hybridization of a single atom. * @param atomId The index of the atom to modify. * @param hybridization The new hybridization. * @return True on success, false otherwise. */ bool setHybridization(Index atomId, AtomHybridization hybridization); /** @return a vector of formal charges for the atoms in the molecule. */ Array& formalCharges(); /** \overload */ const Array& formalCharges() const; /** * Get the total charge on the molecule. * The method will first check to see if a total charge has been set. If not, * it will calculate the total charge from the formal charges (if set). * If neither has been set, it will assume the total charge is zero. * @return The total charge of the molecule. */ signed char totalCharge() const; /** * Get the total spin multiplicity of the molecule. * The method will first check to see if a total spin has been set. If not, * it will either suggest a singlet if an even number of electrons are * present, or a doublet if an odd number of electrons are present. * @return The total spin multiplicity of the molecule. */ char totalSpinMultiplicity() const; /** * Get the formal charge for the requested atom. * @param atomId The index of the atom. * @return The formal charge of the atom indexed at @a atomId, or * 0 if @a atomId is invalid. */ signed char formalCharge(Index atomId) const; /** * Replace the current array of formal charges. * @param charges The new formal charge array. Must be of length atomCount(). * @return True on success, false otherwise. */ bool setFormalCharges(const Core::Array& charges); /** * Set the formal charge of a single atom. * @param atomId The index of the atom to modify. * @param charge The new formal charge. * @return True on success, false otherwise. */ bool setFormalCharge(Index atomId, signed char charge); /** \returns a vector of colors for the atoms in the moleucle. */ Array& colors(); /** \overload */ const Array& colors() const; /** * Get the color for the requested atom. * @param atomId The index of the atom. * @return The color of the atom indexed at @a atomId, or * (0,0,0) if @a atomId is invalid. If no color is set for the * given atomId, the default color for the atomic number of * the atomId is returned. */ Vector3ub color(Index atomId) const; /** * Replace the current array of colors. * @param colors The new color array. Must be of length atomCount(). * @return True on success, false otherwise. */ bool setColors(const Core::Array& colors); /** * Set the color of a single atom. * @param atomId The index of the atom to modify. * @param color The new color. * @return True on success, false otherwise. */ bool setColor(Index atomId, Vector3ub color); bool setLayer(Index atomId, size_t layer); size_t layer(Index atomId) const; /** @return a vector of 2d atom positions for the atoms in the molecule. */ const Array& atomPositions2d() const; /** \overload */ Array& atomPositions2d(); /** * Get the 2D position of a single atom. * @param atomId The index of the atom. * @return The position of the atom, or Vector3::Zero() if no position * information has been set. */ Vector2 atomPosition2d(Index atomId) const; /** * Replace the current array of 2D atomic coordinates. * @param pos The new coordinate array. Must be of length atomCount(). * @return True on success, false otherwise. */ bool setAtomPositions2d(const Core::Array& pos); /** * Set the 2D position of a single atom. * @param atomId The index of the atom to modify. * @param pos The new position of the atom. * @return True on success, false otherwise. */ bool setAtomPosition2d(Index atomId, const Vector2& pos); /** @return a vector of 3d atom positions for the atoms in the molecule. */ const Array& atomPositions3d() const; /** \overload */ Array& atomPositions3d(); /** * Get the 3D position of a single atom. * @param atomId The index of the atom. * @return The position of the atom, or Vector3::Zero() if no position * information has been set. */ Vector3 atomPosition3d(Index atomId) const; /** * Replace the current array of 3D atomic coordinates. * @param pos The new coordinate array. Must be of length atomCount(). * @return True on success, false otherwise. */ bool setAtomPositions3d(const Core::Array& pos); /** * Set the 3D position of a single atom. * @param atomId The index of the atom to modify. * @param pos The new position of the atom. * @return True on success, false otherwise. */ bool setAtomPosition3d(Index atomId, const Vector3& pos); /** * @return Any custom label for the requested atom. * @param atomId The index of the atom. */ std::string atomLabel(Index atomId) const; /** * Set the custom label of a single atom. * @param atomId The index of the atom to modify. * @param label The new label of the atom. * @return True on success, false otherwise. */ bool setAtomLabel(Index atomId, const std::string& label); const Core::Array atomLabels() const { return m_atomLabels; } /** * Set all the atom labels in the molecule. * @param label The new label array. Must be of length atomCount(). * @return True on success, false otherwise. */ bool setAtomLabels(const Core::Array& label); /** * Set whether the specified atom is selected or not. */ void setAtomSelected(Index atomId, bool selected); /** * Query whether the supplied atom index has been selected. */ bool atomSelected(Index atomId) const; /** @return whether the selection is empty or not */ bool isSelectionEmpty() const; /** A map of custom element atomic numbers to string identifiers. These ids * can be used to override the generic custom element names returned by the * Elements class, and should be somewhat meaningful to the user. * * @note Custom element atomic numbers lie between CustomElementMin and * CustomElementMax. * @sa Avogadro::QtGui::CustomElementDialog * @sa hasCustomElements * @{ */ const CustomElementMap& customElementMap() const; void setCustomElementMap(const CustomElementMap& map); /** @} */ /** @return the elements currently in this molecule */ const ElementMask elements() const; /** Adds an atom to the molecule. */ virtual AtomType addAtom(unsigned char atomicNumber); AtomType addAtom(unsigned char atomicNumber, Vector3 position3d); /** * @brief Remove the specified atom from the molecule. * @param index The index of the atom to be removed. * @return True on success, false if the atom was not found. */ virtual bool removeAtom(Index index); /** * @brief Remove the specified atom from the molecule. * @param atom The atom to be removed. * @return True on success, false if the atom was not found. * @overload */ virtual bool removeAtom(const AtomType& atom); /** * Remove all atoms from the molecule. */ virtual void clearAtoms(); /** * @return the atom at @p index in the molecule. */ AtomType atom(Index index) const; /** * Create a new bond in the molecule. * @param atom1 The first atom in the bond. * @param atom2 The second atom in the bond. * @param order The bond order. * @return The new bond object. Will be invalid if @a atom1 or @a atom2 does * not exist. * @{ */ virtual BondType addBond(Index atom1, Index atom2, unsigned char order = 1); virtual BondType addBond(const AtomType& atom1, const AtomType& atom2, unsigned char order = 1); /** @} */ /** * @brief Remove the specified bond. * @param index The index of the bond to be removed. * @return True on success, false if the bond was not found. */ virtual bool removeBond(Index index); /** * @brief Remove the specified bond. * @param bond The bond to be removed. * @return True on success, false if the bond was not found. * @overload */ virtual bool removeBond(const BondType& bond); /** * @brief Remove the specified bond. * @param atom1 One atom in the bond. * @param atom2 The other atom in the bond. * @return True on success, false if the bond was not found. * @overload * @{ */ virtual bool removeBond(Index atom1, Index atom2); virtual bool removeBond(const AtomType& atom1, const AtomType& atom2); /** @} */ /** * Remove all bonds from the molecule. */ virtual void clearBonds(); /** @return the bond at @p index in the molecule. */ BondType bond(Index index) const; /** @return the bond between atoms @p a and @p b. */ BondType bond(const AtomType& a, const AtomType& b) const; /** @return the bond between atomId1 and atomId2. */ BondType bond(Index atomId1, Index atomId2) const; /** * @return Any custom label for the requested bond. * @param bondIndex The index of the bond. */ std::string bondLabel(Index bondIndex) const; /** * Set the custom label of a single bond. * @param bondIndex The index of the bond to modify. * @param label The new label of the bond. * @return True on success, false otherwise. */ bool setBondLabel(Index bondIndex, const std::string& label); const Core::Array bondLabels() const { return m_bondLabels; } /** * Set all the atom labels in the molecule. * @param label The new label array. Must be of length atomCount(). * @return True on success, false otherwise. */ bool setBondLabels(const Core::Array& label); /** * @brief Get all bonds to @p a. * @return A vector of bonds to the supplied atom @p a. * @{ */ Array bonds(const AtomType& a); Array bonds(Index a); Array bonds(Index a) const; /** @} */ /** * @brief Add a mesh to the molecule. * @return The mesh object added to the molecule. */ Mesh* addMesh(); Mesh* mesh(Index index); const Mesh* mesh(Index index) const; Index meshCount() const { return static_cast(m_meshes.size()); } void clearMeshes(); /** * @brief Add a cube to the molecule. * @return The cube object added to the molecule. */ Cube* addCube(); Cube* cube(Index index); const Cube* cube(Index index) const; Index cubeCount() const { return static_cast(m_cubes.size()); } void clearCubes(); /** * @brief Get the cubes vector set (if present) for the molecule. * @return The cube vector for the molecule */ std::vector cubes() { return m_cubes; } const std::vector cubes() const { return m_cubes; } /** * @return the chemical formula of the molecule. * @param delimiter Delimiter to insert between tokens, defaults to none. * @param showCountsOver Show atom counts above this (defaults to 1). */ std::string formula(const std::string& delimiter = "", int showCountsOver = 1) const; /** * @return The mass of the molecule obtained by summing constituent atomic * masses. */ double mass() const; /** * @return The center of geometry of the molecule obtained by summing the * coordinates of the atoms. */ Vector3 centerOfGeometry() const; /** * @return The center of mass of the molecule obtained by summing the * coordinates of the atoms weighted by mass. */ Vector3 centerOfMass() const; /** * @return The minimum radius of a sphere centered on centerOfGeometry * containing all the centers of the atoms. */ double radius() const; /** * @return The (centroid, normal vector) pair of the best-fit plane of * the atoms of the molecule. */ std::pair bestFitPlane() const; /** * @return The normal vector of the best-fit plane of some specific atoms. */ static std::pair bestFitPlane(const Array& pos); /** * Set the basis set for the molecule, note that the molecule takes ownership * of the object. */ void setBasisSet(BasisSet* basis) { m_basisSet = basis; } /** * @return the basis set (if present) for the molecule. */ BasisSet* basisSet() { return m_basisSet; } const BasisSet* basisSet() const { return m_basisSet; } /** * The unit cell for this molecule. May be nullptr for non-periodic * structures. * @{ */ void setUnitCell(UnitCell* uc); UnitCell* unitCell() { return m_unitCell; } const UnitCell* unitCell() const { return m_unitCell; } /** @} */ /** * The space group for this molecule. It is updated after every * space group operation. * @{ */ void setHallNumber(unsigned short hallNumber) { m_hallNumber = hallNumber; } unsigned short hallNumber() const { return m_hallNumber; } /** @} */ Array vibrationFrequencies() const; void setVibrationFrequencies(const Array& freq); Array vibrationIRIntensities() const; void setVibrationIRIntensities(const Array& intensities); Array vibrationRamanIntensities() const; void setVibrationRamanIntensities(const Array& intensities); Array vibrationLx(int mode) const; void setVibrationLx(const Array>& lx); /** * Perceives bonds in the molecule based on the 3D coordinates of the atoms. * atoms are considered bonded if within the sum of radii * plus a small @p tolerance. * @param tolerance The calculation tolerance. * @param minDistance = atoms closer than the square of this are ignored */ void perceiveBondsSimple(const double tolerance = 0.45, const double minDistance = 0.32); /** * Perceives bonds in the molecule based on preset residue data. * * Use this if you have residue data available (e.g., reading PDB or MMTF * files) Otherwise consider @sa perceiveBondsSimple and @sa * perceiveBondOrders */ void perceiveBondsFromResidueData(); void perceiveBondOrders(); /** * Perceives all-carbon-substituted onium ions of nitrogen, oxygen, * phosphorus, sulfur, arsenic and selenium. */ void perceiveSubstitutedCations(); int coordinate3dCount(); bool setCoordinate3d(int coord); Array coordinate3d(int index) const; bool setCoordinate3d(const Array& coords, int index); /** * Clear coordinate sets (except the default set) */ void clearCoordinate3d(); /** * Timestep property is used when molecular dynamics trajectories are read */ bool setTimeStep(double timestep, int index); double timeStep(int index, bool& status); /** @return a vector of forces for the atoms in the molecule. */ const Array& forceVectors() const; /** \overload */ Array& forceVectors(); /** * Get the force of a single atom. * @param atomId The index of the atom. * @return The force vector of the atom, or Vector3::Zero() if no force * information has been set. */ Vector3 forceVector(Index atomId) const; /** * Replace the current array of force vectors. * @param forces The new coordinate array. Must be of length atomCount(). * @return True on success, false otherwise. */ bool setForceVectors(const Core::Array& forces); /** * Set the 3D position of a single atom. * @param atomId The index of the atom to modify. * @param force The new position of the atom. * @return True on success, false otherwise. */ bool setForceVector(Index atomId, const Vector3& force); Residue& addResidue(std::string& name, Index& number, char& id); void addResidue(Residue& residue); Residue& residue(Index index); Array& residues() { return m_residues; } const Array& residues() const { return m_residues; } /** @return The number of residues in the molecule. */ Index residueCount() const; /** @return The number of atoms in the molecule. */ Index atomCount() const; /** * @brief Get the number of atoms in the molecule that match atomicNumber. * @param atomicNumber The atomic number to match on. * @return The number of atoms with the supplied atomic number. */ Index atomCount(unsigned char atomicNumber) const; /** @return the number of bonds in the molecule. */ inline Index bondCount() const; // getters and setters /** * Get the set of bonded atoms corresponding to @a bondId. * @param bondId The index of the requested bond. * @return The bonded atom pair, represented as a pair of atom indices. */ inline std::pair bondPair(Index bondId) const; /** * Replace the current array of bonded atoms. * @param pairs The array. * @return True on success, false on failure. * @note The bonded atoms are represented as a pair of bond indices. * @note If needed, the elements in @a pairs will be modified to ensure that * the first atom index is less than the second. */ bool setBondPairs(const Array>& pairs); /** @return a vector of pairs of atom indices of the bonds in the molecule. */ inline const Array>& bondPairs() const; /** @return a vector of the bond orders for the bonds in the molecule. */ inline const Array& bondOrders() const; /** @return the graph for the molecule. */ inline const Graph& graph() const; /** @return a vector of atomic numbers for the atoms in the molecule. */ inline const Array& atomicNumbers() const; /** * Get the atomic number for the requested atom. * @param atomId The index of the atom. * @return The atomic number of the atom indexed at @a atomId, or * Avogadro::InvalidElement if @a atomId is invalid. */ unsigned char atomicNumber(Index atomId) const; /** * Replace the current array of bond orders. * @param orders The new array. * @return True on success, false on failure. */ bool setBondOrders(const Array& orders); /** * Set the order of a bond in the molecule. * @param bondId The bond's index. * @param order The new order of the bond. * @return True on success, false on failure. */ bool setBondOrder(Index bondId, unsigned char order); /** * @return True if custom elements exist in the molecule. * @note Custom element atomic numbers lie between CustomElementMin and * CustomElementMax. */ bool hasCustomElements() const; /** * Set the bonded atoms for a bond. * @param bondId The bond to modify. * @param pair The new bond pair. * @return True on success, false otherwise. * @note If needed, @a pair will be modified to ensure that the first atom * index is less than the second. */ bool setBondPair(Index bondId, const std::pair& pair); /** * Get the order of a bond. * @param bondId The id of the bond. * @return The bond order. */ unsigned char bondOrder(Index bondId) const; /** * Replace the current array of atomic numbers. * @param nums The new atomic number array. Must be of length atomCount(). * @return True on success, false otherwise. */ bool setAtomicNumbers(const Core::Array& nums); /** * Set the atomic number of a single atom. * @param atomId The index of the atom to modify. * @param atomicNumber The new atomic number. * @return True on success, false otherwise. */ bool setAtomicNumber(Index atomId, unsigned char atomicNumber); /** * Freeze or unfreeze an atom for optimization */ void setFrozenAtom(Index atomId, bool frozen); /** * Get the frozen status of an atom */ bool frozenAtom(Index atomId) const; /** * Freeze or unfreeze X, Y, or Z coordinate of an atom for optimization * @param atomId The index of the atom to modify. * @param axis The axis to freeze (0, 1, or 2 for X, Y, or Z) * @param frozen True to freeze, false to unfreeze */ void setFrozenAtomAxis(Index atomId, int axis, bool frozen); Eigen::VectorXd frozenAtomMask() const { return m_frozenAtomMask; } /** * @return a map of components and count. */ std::map composition() const; Array> getAtomBonds(Index index) const; Array getAtomOrders(Index index) const; inline static std::pair makeBondPair(const Index& a, const Index& b); bool removeBonds(Index atom); void addBonds(const Array>& bonds, const Array& orders); // chenge the bond index position void swapBond(Index a, Index b); // channge the Atom index position void swapAtom(Index a, Index b); std::list getAtomsAtLayer(size_t layer); Layer& layer(); const Layer& layer() const; /** * Calculte and return bounding box of the whole molecule or selected atoms * only. * @param boxMin [out] the minimum corner (first end of the box diagonal) * @param boxMax [out] the maximum corner (second end of the box diagonal) * @param radius [in] radius of a single sphere */ void boundingBox(Vector3& boxMin, Vector3& boxMax, const double radius = 1.0) const; protected: VariantMap m_data; std::map m_partialCharges; //!< Sets of atomic partial charges std::map m_spectra; //!< Sets of spectra CustomElementMap m_customElementMap; ElementMask m_elements; //!< Which elements this molecule contains (e.g., for //!< force fields) Array m_positions2d; Array m_positions3d; Array m_atomLabels; Array m_bondLabels; Array> m_coordinates3d; //!< Store conformers/trajectories. Array m_timesteps; Array m_hybridizations; Array m_formalCharges; Array m_forceVectors; Array m_colors; // Vibration data if available. Array m_vibrationFrequencies; Array m_vibrationIRIntensities; Array m_vibrationRamanIntensities; Array> m_vibrationLx; // Array declaring whether atoms are selected or not. std::vector m_selectedAtoms; std::vector m_meshes; std::vector m_cubes; BasisSet* m_basisSet; UnitCell* m_unitCell; Array m_residues; // This will be stored from the last space group operation unsigned short m_hallNumber = 0; Eigen::VectorXd m_frozenAtomMask; private: mutable Graph m_graph; // A transformation of the molecule to a graph. // edge information Array m_bondOrders; // vertex information Array m_atomicNumbers; Layer& m_layers; }; class AVOGADROCORE_EXPORT Atom : public AtomTemplate { public: Atom() = default; Atom(Molecule* m, Index i) : AtomTemplate(m, i) {} }; class AVOGADROCORE_EXPORT Bond : public BondTemplate { public: Bond() = default; Bond(Molecule* m, Index i) : BondTemplate(m, i) {} }; inline AtomHybridization Molecule::hybridization(Index atomId) const { AtomHybridization hyb = HybridizationUnknown; if (atomId < m_hybridizations.size()) return m_hybridizations[atomId]; return hyb; } inline bool Molecule::setHybridizations( const Core::Array& hybs) { if (hybs.size() == atomCount()) { m_hybridizations = hybs; return true; } return false; } inline bool Molecule::setHybridization(Index atomId, AtomHybridization hyb) { if (atomId < atomCount()) { if (atomId >= m_hybridizations.size()) m_hybridizations.resize(atomCount(), HybridizationUnknown); m_hybridizations[atomId] = hyb; return true; } return false; } inline signed char Molecule::formalCharge(Index atomId) const { return atomId < m_formalCharges.size() ? m_formalCharges[atomId] : 0; } inline bool Molecule::setFormalCharges(const Core::Array& charges) { if (charges.size() == atomCount()) { m_formalCharges = charges; return true; } return false; } inline bool Molecule::setFormalCharge(Index atomId, signed char charge) { if (atomId < atomCount()) { if (atomId >= m_formalCharges.size()) m_formalCharges.resize(atomCount(), 0); m_formalCharges[atomId] = charge; return true; } return false; } inline const Molecule::ElementMask Molecule::elements() const { return m_elements; } inline Vector3ub Molecule::color(Index atomId) const { if (atomId >= atomCount()) return Vector3ub(0, 0, 0); if (atomId < m_colors.size()) return m_colors[atomId]; return Vector3ub(Elements::color(atomicNumber(atomId))); } inline bool Molecule::setColors(const Core::Array& colors) { if (colors.size() == atomCount()) { m_colors = colors; return true; } return false; } inline bool Molecule::setColor(Index atomId, Vector3ub color) { if (atomId < atomCount()) { if (atomId >= m_colors.size()) { for (Index i = m_colors.size(); i < atomCount(); ++i) { m_colors.push_back(Vector3ub(Elements::color(atomicNumber(i)))); } } m_colors[atomId] = color; return true; } return false; } inline size_t Molecule::layer(Index atomId) const { return m_layers.getLayerID(atomId); } inline bool Molecule::setLayer(Index atomId, size_t layer) { if (atomId < atomCount()) { m_layers.addAtom(layer, atomId); return true; } return false; } inline Vector2 Molecule::atomPosition2d(Index atomId) const { return atomId < m_positions2d.size() ? m_positions2d[atomId] : Vector2(); } inline bool Molecule::setAtomPositions2d(const Core::Array& pos) { if (pos.size() == atomCount() || pos.size() == 0) { m_positions2d = pos; return true; } return false; } inline bool Molecule::setAtomPosition2d(Index atomId, const Vector2& pos) { if (atomId < atomCount()) { if (atomId >= m_positions2d.size()) m_positions2d.resize(atomCount(), Vector2::Zero()); m_positions2d[atomId] = pos; return true; } return false; } inline Vector3 Molecule::atomPosition3d(Index atomId) const { return atomId < m_positions3d.size() ? m_positions3d[atomId] : Vector3(); } inline bool Molecule::setAtomPositions3d(const Core::Array& pos) { if (pos.size() == atomCount() || pos.size() == 0) { m_positions3d = pos; return true; } return false; } inline bool Molecule::setAtomPosition3d(Index atomId, const Vector3& pos) { if (atomId < atomCount()) { if (atomId >= m_positions3d.size()) m_positions3d.resize(atomCount(), Vector3::Zero()); m_positions3d[atomId] = pos; return true; } return false; } inline std::string Molecule::atomLabel(Index atomId) const { return atomId < m_atomLabels.size() ? m_atomLabels[atomId] : ""; } inline bool Molecule::setAtomLabels(const Core::Array& labels) { if (labels.size() == atomCount() || labels.size() == 0) { m_atomLabels = labels; return true; } return false; } inline bool Molecule::setAtomLabel(Index atomId, const std::string& label) { if (atomId < atomCount()) { if (atomId >= m_atomLabels.size()) m_atomLabels.resize(atomCount(), ""); m_atomLabels[atomId] = label; return true; } return false; } inline void Molecule::setAtomSelected(Index atomId, bool selected) { if (atomId < atomCount()) { if (atomId >= m_selectedAtoms.size()) m_selectedAtoms.resize(atomCount(), false); m_selectedAtoms[atomId] = selected; } } inline bool Molecule::atomSelected(Index atomId) const { return atomId < m_selectedAtoms.size() ? m_selectedAtoms[atomId] : false; } inline bool Molecule::isSelectionEmpty() const { for (Index i = 0; i < m_selectedAtoms.size(); ++i) { if (m_selectedAtoms[i]) return false; } return true; } inline Vector3 Molecule::forceVector(Index atomId) const { return atomId < m_forceVectors.size() ? m_forceVectors[atomId] : Vector3(); } inline bool Molecule::setForceVectors(const Core::Array& forces) { if (forces.size() == atomCount() || forces.size() == 0) { m_forceVectors = forces; return true; } return false; } inline bool Molecule::setForceVector(Index atomId, const Vector3& force) { if (atomId < atomCount()) { if (atomId >= m_forceVectors.size()) m_forceVectors.resize(atomCount(), Vector3::Zero()); m_forceVectors[atomId] = force; return true; } return false; } // Make an std::pair where the lower index is always first in the pair. This // offers us the guarantee that any given pair of atoms will always result in // a pair that is the same no matter what the order of the atoms given. std::pair Molecule::makeBondPair(const Index& a, const Index& b) { return a < b ? std::make_pair(a, b) : std::make_pair(b, a); } inline Index Molecule::bondCount() const { assert(m_graph.edgeCount() == m_bondOrders.size()); return m_graph.edgeCount(); } inline const Array>& Molecule::bondPairs() const { return m_graph.edgePairs(); } inline const Array& Molecule::bondOrders() const { return m_bondOrders; } inline std::string Molecule::bondLabel(Index bondId) const { return bondId < m_bondLabels.size() ? m_bondLabels[bondId] : ""; } inline bool Molecule::setBondLabels(const Core::Array& labels) { if (labels.size() == atomCount() || labels.size() == 0) { m_bondLabels = labels; return true; } return false; } inline bool Molecule::setBondLabel(Index bondId, const std::string& label) { if (bondId < bondCount()) { if (bondId >= m_bondLabels.size()) m_bondLabels.resize(bondCount(), ""); m_bondLabels[bondId] = label; return true; } return false; } inline const Graph& Molecule::graph() const { return m_graph; } inline const Array& Molecule::atomicNumbers() const { return m_atomicNumbers; } inline std::pair Molecule::bondPair(Index bondId) const { return bondId < bondCount() ? m_graph.endpoints(bondId) : std::make_pair(MaxIndex, MaxIndex); } inline Index Molecule::atomCount() const { return static_cast(m_atomicNumbers.size()); } inline unsigned char Molecule::atomicNumber(Index atomId) const { return atomId < m_atomicNumbers.size() ? m_atomicNumbers[atomId] : InvalidElement; } } // namespace Avogadro::Core #endif // AVOGADRO_CORE_MOLECULE_H avogadrolibs-1.100.0/avogadro/core/mutex.cpp000066400000000000000000000012141474375334400207410ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "mutex.h" #include namespace Avogadro::Core { using std::mutex; class Mutex::PIMPL { public: PIMPL() {} mutex lock; }; Mutex::Mutex() : d(new PIMPL) { } Mutex::~Mutex() { delete d; } void Mutex::lock() { d->lock.lock(); } bool Mutex::tryLock() { return d->lock.try_lock(); } void Mutex::unlock() { d->lock.unlock(); } } avogadrolibs-1.100.0/avogadro/core/mutex.h000066400000000000000000000021361474375334400204120ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_MUTEX_H #define AVOGADRO_CORE_MUTEX_H #include "avogadrocoreexport.h" namespace Avogadro::Core { /** * @class Mutex mutex.h * @brief The Mutex class provides a simple wrapper for the C++11 mutex * class * @author Marcus D. Hanwell * * A very simple, and thin wrapper around the C++11 mutex class, allowing for * lock, tryLock and unlock. */ class AVOGADROCORE_EXPORT Mutex { public: Mutex(); ~Mutex(); /** * @brief Obtain an exclusive lock. */ void lock(); /** * @brief Attempt to obtain an exclusive lock. * @return True on success, false on failure. */ bool tryLock(); /** * @brief Unlocks the lock. */ void unlock(); private: class PIMPL; PIMPL* d; }; } // end namespace Avogadro::Core #endif // AVOGADRO_CORE_MUTEX_H avogadrolibs-1.100.0/avogadro/core/nameatomtyper.cpp000066400000000000000000000011231474375334400224630ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "nameatomtyper.h" #include "elements.h" namespace Avogadro::Core { NameAtomTyper::NameAtomTyper(const Molecule* mol) : AtomTyper(mol) { } std::string NameAtomTyper::type(const Atom& atom) { return std::string(Elements::name(atom.atomicNumber())); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/core/nameatomtyper.h000066400000000000000000000017461474375334400221430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_NAMEATOMTYPER_H #define AVOGADRO_CORE_NAMEATOMTYPER_H #include "avogadrocoreexport.h" #include #include namespace Avogadro::Core { /** * @class NameAtomTyper nameatomtyper.h * @brief The NameAtomTyper class is a simple implementation of AtomTyper that * assigns element names to each atom. */ class AVOGADROCORE_EXPORT NameAtomTyper : public AtomTyper { public: explicit NameAtomTyper(const Molecule* mol = nullptr); ~NameAtomTyper() override = default; protected: std::string type(const Atom& atom) override; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_NAMEATOMTYPER_H avogadrolibs-1.100.0/avogadro/core/neighborperceiver.cpp000066400000000000000000000052531474375334400233100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "neighborperceiver.h" namespace Avogadro::Core { NeighborPerceiver::NeighborPerceiver(const Array points, float maxDistance) : m_maxDistance(maxDistance), m_cachedArray(nullptr) { if (!points.size()) return; // find bounding box m_minPos = points[0]; m_maxPos = points[0]; for (Index i = 1; i < points.size(); i++) { Vector3 ipos = points[i]; for (size_t c = 0; c < 3; c++) { m_minPos(c) = std::min(ipos(c), m_minPos(c)); m_maxPos(c) = std::max(ipos(c), m_maxPos(c)); } } // group points into cubic bins so that each point is only checked against // other points inside bins within a 3-dimensional Moore neighborhood for (size_t c = 0; c < 3; c++) m_binCount[c] = std::floor((m_maxPos(c) + 0.1 - m_minPos(c)) / m_maxDistance) + 1; std::vector>>> bins( m_binCount[0], std::vector>>( m_binCount[1], std::vector>( m_binCount[2], std::vector() ) ) ); m_bins = bins; for (Index i = 0; i < points.size(); i++) { std::array bin_index = getBinIndex(points[i]); m_bins.at(bin_index[0]).at(bin_index[1]).at(bin_index[2]).push_back(i); } } void NeighborPerceiver::getNeighborsInclusiveInPlace( Array &out, const Vector3 &point ) const { const std::array bin_index = getBinIndex(point); if (&out == m_cachedArray && bin_index == m_cachedIndex) return; m_cachedIndex = bin_index; out.clear(); for (int xi = std::max(int(1), bin_index[0]) - 1; xi < std::min(m_binCount[0], bin_index[0] + 2); xi++) { for (int yi = std::max(int(1), bin_index[1]) - 1; yi < std::min(m_binCount[1], bin_index[1] + 2); yi++) { for (int zi = std::max(int(1), bin_index[2]) - 1; zi < std::min(m_binCount[2], bin_index[2] + 2); zi++) { const std::vector &bin = m_bins[xi][yi][zi]; out.insert(out.end(), bin.begin(), bin.end()); } } } } Array NeighborPerceiver::getNeighborsInclusive(const Vector3 &point) const { Array r; getNeighborsInclusiveInPlace(r, point); return r; } std::array NeighborPerceiver::getBinIndex(const Vector3 &point) const { std::array r = {}; for (size_t c = 0; c < 3; c++) { r[c] = std::floor((point(c) - m_minPos(c)) / m_maxDistance); } return r; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/core/neighborperceiver.h000066400000000000000000000046341474375334400227570ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_NEIGHBORPERCEIVER_H #define AVOGADRO_CORE_NEIGHBORPERCEIVER_H #include "avogadrocoreexport.h" #include "avogadrocore.h" #include "array.h" #include "vector.h" #include #include namespace Avogadro::Core { /** * @class NeighborPerceiver neighborperceiver.h * @brief This class can be used to find physically neighboring points in linear average time. */ class AVOGADROCORE_EXPORT NeighborPerceiver { public: /** * Creates a NeighborPerceiver that detects neighbors up to at least some distance. * * @param points Positions in 3D space to detect neighbors among. * @param maxDistance All neighbors strictly within this distance will be detected. * Should be as low as possible for best performance. */ NeighborPerceiver(const Array points, float maxDistance); /** * Returns a list of neighboring points. Linear time to number of neighbors. * Can include some neighbors up to 2*sqrt(3) times the maximum distance. * The list is newly allocated on every call; if performance/fragmentation * is a concern, prefer NeighborPerceiver::getNeighborsInclusiveInPlace(). * * @param point Position to return neighbors of, can be located anywhere. */ Array getNeighborsInclusive(const Vector3 &point) const; /** * Fills an array with all neighboring points. Linear time to number of neighbors. * Can include some neighbors up to 2*sqrt(3) times the maximum distance. * * @param out Array to output neighbor indices in. * @param point Position to return neighbors of, can be located anywhere. */ void getNeighborsInclusiveInPlace(Array &out, const Vector3 &point) const; private: std::array getBinIndex(const Vector3 &point) const; protected: float m_maxDistance; std::array m_binCount; std::vector>>> m_bins; Vector3 m_minPos; Vector3 m_maxPos; mutable Array *m_cachedArray; mutable std::array m_cachedIndex; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_NEIGHBORPERCEIVER_H avogadrolibs-1.100.0/avogadro/core/residue.cpp000066400000000000000000000107361474375334400212500ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "residue.h" #include "molecule.h" #include "residuecolors.h" #include "residuedata.h" namespace Avogadro::Core { Residue::Residue(std::string& name) : m_residueName(name), m_residueId(0), m_chainId('A'), m_heterogen(false), m_color(0, 0, 0), m_customColorSet(false), m_secondaryStructure(undefined) { } Residue::Residue(std::string& name, Index& number) : m_residueName(name), m_residueId(number), m_chainId('A'), m_heterogen(false), m_color(0, 0, 0), m_customColorSet(false), m_secondaryStructure(undefined) { } Residue::Residue(std::string& name, Index& number, char& id) : m_residueName(name), m_residueId(number), m_chainId(id), m_heterogen(false), m_color(0, 0, 0), m_customColorSet(false), m_secondaryStructure(undefined) { } Residue::Residue(const Residue& other) : m_residueName(other.m_residueName), m_residueId(other.m_residueId), m_chainId(other.m_chainId), m_atomNameMap(other.m_atomNameMap), m_heterogen(other.m_heterogen), m_color(other.m_color), m_customColorSet(other.m_customColorSet), m_secondaryStructure(other.m_secondaryStructure) { } Residue& Residue::operator=(Residue other) { m_residueName = other.m_residueName; m_residueId = other.m_residueId; m_chainId = other.m_chainId; m_atomNameMap = other.m_atomNameMap; m_heterogen = other.m_heterogen; m_color = other.m_color; m_customColorSet = other.m_customColorSet; m_secondaryStructure = other.m_secondaryStructure; return *this; } void Residue::addResidueAtom(const std::string& name, const Atom& atom) { m_atomNameMap.insert(std::pair(name, atom)); } std::vector Residue::residueAtoms() const { std::vector res; for (const auto& it : m_atomNameMap) { res.push_back(it.second); } return res; } Atom Residue::getAtomByName(std::string name) const { Atom empty; auto search = m_atomNameMap.find(name); if (search != m_atomNameMap.end()) { return search->second; } return empty; } std::string Residue::getAtomName(const Atom atom) const { for (const auto& it : m_atomNameMap) { if (it.second == atom) { return it.first; } } return ""; } std::string Residue::getAtomName(const Index index) const { for (const auto& it : m_atomNameMap) { if (it.second.index() == index) { return it.first; } } return ""; } void Residue::resolveResidueBonds(Molecule& mol) { std::vector> bondSeq; if (residueDict.find(m_residueName) != residueDict.end()) { size_t i = 0; bondSeq = residueDict[m_residueName].residueSingleBonds(); for (i = 0; i < bondSeq.size(); ++i) { if (m_atomNameMap.find(bondSeq[i].first) != m_atomNameMap.end() && m_atomNameMap.find(bondSeq[i].second) != m_atomNameMap.end()) { mol.Avogadro::Core::Molecule::addBond( m_atomNameMap[bondSeq[i].first], m_atomNameMap[bondSeq[i].second], 1); } } bondSeq = residueDict[m_residueName].residueDoubleBonds(); for (i = 0; i < bondSeq.size(); ++i) { if (m_atomNameMap.find(bondSeq[i].first) != m_atomNameMap.end() && m_atomNameMap.find(bondSeq[i].second) != m_atomNameMap.end()) { mol.Avogadro::Core::Molecule::addBond( m_atomNameMap[bondSeq[i].first], m_atomNameMap[bondSeq[i].second], 2); } } } } int Residue::getAtomicNumber(std::string name) const { auto search = m_atomNameMap.find(name); if (search != m_atomNameMap.end()) { return search->second.atomicNumber(); } return 0; } void Residue::setColor(const Vector3ub color) { m_customColorSet = true; m_color = color; } Vector3ub Residue::color() const { if (m_customColorSet) return m_color; // default return a color for the chain int offset = 0; if (m_chainId >= 'A' && m_chainId <= 'Z') offset = m_chainId - 'A'; else if (m_chainId >= 'a' && m_chainId <= 'z') offset = m_chainId - 'a'; else if (m_chainId >= '0' && m_chainId <= '9') offset = m_chainId - '0' + 15; // starts at 'P' return Vector3ub(chain_color[offset]); } bool Residue::hasAtomByIndex(Index index) const { for (const auto& atom : residueAtoms()) { if (atom.index() == index) { return true; } } return false; } } // namespace Avogadro::Core avogadrolibs-1.100.0/avogadro/core/residue.h000066400000000000000000000076411474375334400207160ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_RESIDUE_H #define AVOGADRO_CORE_RESIDUE_H #include "avogadrocoreexport.h" #include "avogadrocore.h" #include #include #include #include "vector.h" namespace Avogadro::Core { class Atom; class Molecule; /** * @class Residue residue.h * @brief The Residue class represents a chemical residue, used commonly in the * PDB format. */ class AVOGADROCORE_EXPORT Residue { public: /** Type for atom name map. */ using AtomNameMap = std::map; // using codes from MMTF specification // https://github.com/rcsb/mmtf/blob/master/spec.md#secstructlist enum SecondaryStructure { piHelix = 0, // DSSP "I" bend = 1, // DSSP "S" alphaHelix = 2, // DSSP "H" betaSheet = 3, // DSSP "E" helix310 = 4, // DSSP "G" betaBridge = 5, // DSSP "B" turn = 6, // DSSP "T" coil = 7, // DSSP "C" maybeBeta = -3, // potential beta strand undefined = -1 }; /** Creates a new, empty residue. */ Residue() = default; Residue(std::string& name); Residue(std::string& name, Index& number); Residue(std::string& name, Index& number, char& id); Residue(const Residue& other); Residue& operator=(Residue other); virtual ~Residue() = default; inline std::string residueName() const { return m_residueName; } inline void setResidueName(std::string& name) { m_residueName = name; } inline Index residueId() const { return m_residueId; } inline void setResidueId(Index& number) { m_residueId = number; } inline char chainId() const { return m_chainId; } inline void setChainId(const char& id) { m_chainId = id; } inline SecondaryStructure secondaryStructure() const { return m_secondaryStructure; } inline void setSecondaryStructure(const SecondaryStructure& ss) { m_secondaryStructure = ss; } /** Adds an atom to the residue class */ void addResidueAtom(const std::string& name, const Atom& atom); /** \return a vector containing the atoms added to the residue */ std::vector residueAtoms() const; /** \return the atom map for the residue */ AtomNameMap& atomNameMap() { return m_atomNameMap; } /** Sets bonds to atoms in the residue based on data from residuedata header */ void resolveResidueBonds(Molecule& mol); /** * \return the atom with the name specified (e.g., "CA") */ Atom getAtomByName(std::string name) const; /** * \return the atomic number of the atom with the name specified (e.g., "CA" = * "C") */ int getAtomicNumber(std::string name) const; /** * \return the name of @p atom or an empty string if not in this residue */ std::string getAtomName(const Atom atom) const; /** * \return the name of atom @p index or an empty string if not in this residue */ std::string getAtomName(const Index index) const; bool hasAtomByIndex(Index index) const; /** Set whether this residue is a "HET" / "HETATOM" ligand */ void setHeterogen(bool heterogen) { m_heterogen = heterogen; } /** \return is this residue a heterogen (HET / HETATM) */ bool isHeterogen() const { return m_heterogen; } /** Set a custom color for this residue */ void setColor(const Vector3ub color); /** \return the color set for this residue, or a default from the chain id */ Vector3ub color() const; protected: std::string m_residueName; Index m_residueId = std::numeric_limits::max(); char m_chainId; AtomNameMap m_atomNameMap; bool m_heterogen; Vector3ub m_color; bool m_customColorSet; SecondaryStructure m_secondaryStructure; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_RESIDUE_H avogadrolibs-1.100.0/avogadro/core/residuecolors.h000066400000000000000000000064101474375334400221310ustar00rootroot00000000000000#ifndef AVOGADRO_CORE_RESIDUE_COLORS #define AVOGADRO_CORE_RESIDUE_COLORS namespace Avogadro::Core { unsigned char chain_color[][3] = { // See, for example http://jmol.sourceforge.net/jscolors/index.en.html // # A # B # C # D { 192, 208, 255 },{ 176, 255, 176 },{ 255, 192, 200 },{ 204, 128, 255 }, // # E # F # G # H { 255, 192, 255 },{ 176, 240, 240 },{ 255, 208, 112 },{ 240, 128, 128 }, // # I # J # K # L { 245, 222, 179 },{ 0, 191, 255 }, { 205, 92, 92 }, { 102, 205, 170 }, // # M # N # O # P { 154, 205, 50 }, { 238, 130, 238 },{ 0, 206, 209 }, { 0, 255, 127 }, // # Q # R # S # T { 60, 179, 113 }, { 0, 0, 139 }, { 189, 183, 107 }, { 0, 100, 0 }, // # U # V # W # X { 128, 0, 0 }, { 128, 128, 0 }, { 128, 128, 0 }, { 0, 128, 128 }, // # Y # Z { 184, 134, 11 }, { 178, 34, 34 } }; unsigned char amino_color[][3] = { // See, for example http://jmol.sourceforge.net/jscolors/index.en.html // # Ala # Arg # Asn # Asp { 200, 200, 200 },{ 20, 90, 255 },{ 0, 220, 220 },{ 230, 10, 10 }, // # Cys # Gln # Glu # Gly { 230, 230, 0 },{ 0, 220, 220 },{ 230, 10, 10 },{ 235, 235, 235 }, // # His # Ile # Leu # Lys { 130, 130, 255 },{ 15, 130, 15 },{ 15, 130, 15 },{ 20, 90, 255 }, // # Met # Phe # Pro # Ser { 230, 230, 0 },{ 50, 50, 170 },{ 220, 150, 130 },{ 250, 150, 0 }, // # Thr # Trp # Tyr # Val { 250, 150, 0 },{ 180, 90, 180 },{ 50, 50, 170 },{ 15, 130, 15 }, // # Asx # Glx # Anything else { 255, 105, 180 },{ 255, 105, 180 }, { 190, 160, 110} }; unsigned char shapely_color[][3] = { // See, for example http://jmol.sourceforge.net/jscolors/index.en.html // # Ala # Arg # Asn # Asp { 140, 255, 140 },{ 0, 0, 124 },{ 255, 124, 112 },{ 160, 0, 66 }, // # Cys # Gln # Glu # Gly { 255, 255, 112 },{ 255, 76, 76 },{ 102, 0, 0 },{ 255, 255, 255 }, // # His # Ile # Leu # Lys { 112, 112, 255 },{ 0, 76, 0 },{ 69, 94, 69 },{ 71, 71, 184 }, // # Met # Phe # Pro # Ser { 184, 160, 66 },{ 83, 76, 82 },{ 82, 82, 82 },{ 255, 112, 66 }, // # Thr # Trp # Tyr # Val { 184, 76, 0 },{ 79, 70, 0 },{ 140, 112, 76 },{ 255, 140, 255 }, // # Asx # Glx # Anything else { 255, 0, 255 },{ 255, 0, 255 }, { 255, 0, 255} }; unsigned char secondary_color[][3] = { // See, for example http://jmol.sourceforge.net/jscolors/index.en.html // using codes from MMTF // 0 = pi "I" # bend "S" # alpha "H" # beta "E" { 96, 0, 128 },{ 255, 255, 255 },{ 255, 0, 128 }, { 255, 200, 0 }, // 4 = 3-10 "G" # bridge "B" # turn "T" # coil "C" { 160, 0, 128 },{ 255, 255, 255 },{ 96, 128, 255 }, { 255, 255, 255 } }; } // namespace Avogadro::Core #endif avogadrolibs-1.100.0/avogadro/core/residuedata.h000066400000000000000000003361451474375334400215540ustar00rootroot00000000000000 #ifndef AVOGADRO_CORE_RESIDUE_DATA #define AVOGADRO_CORE_RESIDUE_DATA #include #include #include #include namespace Avogadro::Core { class ResidueData { private: std::string m_residueName; std::map m_residueAtomNames; std::vector> m_residueSingleBonds; std::vector> m_residueDoubleBonds; public: ResidueData() = default; ResidueData(std::string name, std::map atomNames, std::vector> singleBonds, std::vector> doubleBonds) : m_residueName(std::move(name)), m_residueAtomNames(std::move(atomNames)), m_residueSingleBonds(std::move(singleBonds)), m_residueDoubleBonds(std::move(doubleBonds)) {} ResidueData(const ResidueData& other) : m_residueName(other.m_residueName), m_residueAtomNames(other.m_residueAtomNames), m_residueSingleBonds(other.m_residueSingleBonds), m_residueDoubleBonds(other.m_residueDoubleBonds) {} ResidueData(ResidueData&& other) noexcept : m_residueName(std::move(other.m_residueName)), m_residueAtomNames(std::move(other.m_residueAtomNames)), m_residueSingleBonds(std::move(other.m_residueSingleBonds)), m_residueDoubleBonds(std::move(other.m_residueDoubleBonds)) {} ResidueData& operator=(ResidueData other) { using std::swap; swap(*this, other); return *this; } std::map residueAtoms() { return m_residueAtomNames; } std::vector> residueSingleBonds() { return m_residueSingleBonds; } std::vector> residueDoubleBonds() { return m_residueDoubleBonds; } }; ResidueData ALAData("ALA", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB1", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HB3", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "HB1" }, { "CB", "HB2" }, { "CB", "HB3" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData CYSData("CYS", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "SG", 16 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG", 1 }, { "HG", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "SG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "SG", "HG" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData ASPData("ASP", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "OD1", 8 }, { "OD2", 8 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HD2", 1 }, { "HD2", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "OD2" }, { "OD2", "HD2" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" }, { "CG", "OD1" } }); ResidueData GLUData("GLU", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "CD", 6 }, { "OE1", 8 }, { "OE2", 8 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG2", 1 }, { "HG3", 1 }, { "HE2", 1 }, { "HE2", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD" }, { "CG", "HG2" }, { "CG", "HG3" }, { "CD", "OE2" }, { "OE2", "HE2" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" }, { "CD", "OE1" } }); ResidueData PHEData( "PHE", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "CD1", 6 }, { "CD2", 6 }, { "CE1", 6 }, { "CE2", 6 }, { "CZ", 6 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HD1", 1 }, { "HD2", 1 }, { "HE1", 1 }, { "HE2", 1 }, { "HZ", 1 }, { "HZ", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD2" }, { "CD1", "CE1" }, { "CD1", "HD1" }, { "CD2", "HD2" }, { "CE1", "HE1" }, { "CE2", "CZ" }, { "CE2", "HE2" }, { "CZ", "HZ" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" }, { "CG", "CD1" }, { "CD2", "CE2" }, { "CE1", "CZ" } }); ResidueData GLYData("GLY", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA2", 1 }, { "HA3", 1 }, { "HA3", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "HA2" }, { "CA", "HA3" }, { "C", "OXT" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData HISData("HIS", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "ND1", 7 }, { "CD2", 6 }, { "CE1", 6 }, { "NE2", 7 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HD1", 1 }, { "HD2", 1 }, { "HE1", 1 }, { "HE2", 1 }, { "HE2", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "ND1" }, { "ND1", "HD1" }, { "CD2", "NE2" }, { "CD2", "HD2" }, { "CE1", "NE2" }, { "CE1", "HE1" }, { "NE2", "HE2" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" }, { "CG", "CD2" }, { "ND1", "CE1" } }); ResidueData ILEData( "ILE", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG1", 6 }, { "CG2", 6 }, { "CD1", 6 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB", 1 }, { "HG12", 1 }, { "HG13", 1 }, { "HG21", 1 }, { "HG22", 1 }, { "HG23", 1 }, { "HD11", 1 }, { "HD12", 1 }, { "HD13", 1 }, { "HD13", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG1" }, { "CB", "CG2" }, { "CB", "HB" }, { "CG1", "CD1" }, { "CG1", "HG12" }, { "CG1", "HG13" }, { "CG2", "HG21" }, { "CG2", "HG22" }, { "CG2", "HG23" }, { "CD1", "HD11" }, { "CD1", "HD12" }, { "CD1", "HD13" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData LYSData( "LYS", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "CD", 6 }, { "CE", 6 }, { "NZ", 7 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG2", 1 }, { "HG3", 1 }, { "HD2", 1 }, { "HD3", 1 }, { "HE2", 1 }, { "HE3", 1 }, { "HZ1", 1 }, { "HZ2", 1 }, { "HZ3", 1 }, { "HZ3", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD" }, { "CG", "HG2" }, { "CG", "HG3" }, { "CD", "CE" }, { "CD", "HD2" }, { "CD", "HD3" }, { "CE", "NZ" }, { "CE", "HE2" }, { "CE", "HE3" }, { "NZ", "HZ1" }, { "NZ", "HZ2" }, { "NZ", "HZ3" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData LEUData( "LEU", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "CD1", 6 }, { "CD2", 6 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG", 1 }, { "HD11", 1 }, { "HD12", 1 }, { "HD13", 1 }, { "HD21", 1 }, { "HD22", 1 }, { "HD23", 1 }, { "HD23", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD1" }, { "CG", "CD2" }, { "CG", "HG" }, { "CD1", "HD11" }, { "CD1", "HD12" }, { "CD1", "HD13" }, { "CD2", "HD21" }, { "CD2", "HD22" }, { "CD2", "HD23" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData METData("MET", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "SD", 16 }, { "CE", 6 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG2", 1 }, { "HG3", 1 }, { "HE1", 1 }, { "HE2", 1 }, { "HE3", 1 }, { "HE3", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "SD" }, { "CG", "HG2" }, { "CG", "HG3" }, { "SD", "CE" }, { "CE", "HE1" }, { "CE", "HE2" }, { "CE", "HE3" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData ASNData("ASN", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "OD1", 8 }, { "ND2", 7 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HD21", 1 }, { "HD22", 1 }, { "HD22", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "ND2" }, { "ND2", "HD21" }, { "ND2", "HD22" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" }, { "CG", "OD1" } }); ResidueData PROData("PRO", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "CD", 6 }, { "OXT", 8 }, { "H", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG2", 1 }, { "HG3", 1 }, { "HD2", 1 }, { "HD3", 1 }, { "HD3", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "CD" }, { "N", "H" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD" }, { "CG", "HG2" }, { "CG", "HG3" }, { "CD", "HD2" }, { "CD", "HD3" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData GLNData( "GLN", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "CD", 6 }, { "OE1", 8 }, { "NE2", 7 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG2", 1 }, { "HG3", 1 }, { "HE21", 1 }, { "HE22", 1 }, { "HE22", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD" }, { "CG", "HG2" }, { "CG", "HG3" }, { "CD", "NE2" }, { "NE2", "HE21" }, { "NE2", "HE22" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" }, { "CD", "OE1" } }); ResidueData ARGData( "ARG", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "CD", 6 }, { "NE", 7 }, { "CZ", 6 }, { "NH1", 7 }, { "NH2", 7 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG2", 1 }, { "HG3", 1 }, { "HD2", 1 }, { "HD3", 1 }, { "HE", 1 }, { "HH11", 1 }, { "HH12", 1 }, { "HH21", 1 }, { "HH22", 1 }, { "HH22", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD" }, { "CG", "HG2" }, { "CG", "HG3" }, { "CD", "NE" }, { "CD", "HD2" }, { "CD", "HD3" }, { "NE", "CZ" }, { "NE", "HE" }, { "CZ", "NH1" }, { "NH1", "HH11" }, { "NH1", "HH12" }, { "NH2", "HH21" }, { "NH2", "HH22" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" }, { "CZ", "NH2" } }); ResidueData SERData("SER", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "OG", 8 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG", 1 }, { "HG", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "OG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "OG", "HG" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData THRData("THR", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "OG1", 8 }, { "CG2", 6 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB", 1 }, { "HG1", 1 }, { "HG21", 1 }, { "HG22", 1 }, { "HG23", 1 }, { "HG23", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "OG1" }, { "CB", "CG2" }, { "CB", "HB" }, { "OG1", "HG1" }, { "CG2", "HG21" }, { "CG2", "HG22" }, { "CG2", "HG23" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData VALData("VAL", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG1", 6 }, { "CG2", 6 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB", 1 }, { "HG11", 1 }, { "HG12", 1 }, { "HG13", 1 }, { "HG21", 1 }, { "HG22", 1 }, { "HG23", 1 }, { "HG23", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG1" }, { "CB", "CG2" }, { "CB", "HB" }, { "CG1", "HG11" }, { "CG1", "HG12" }, { "CG1", "HG13" }, { "CG2", "HG21" }, { "CG2", "HG22" }, { "CG2", "HG23" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData TRPData( "TRP", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "CD1", 6 }, { "CD2", 6 }, { "NE1", 7 }, { "CE2", 6 }, { "CE3", 6 }, { "CZ2", 6 }, { "CZ3", 6 }, { "CH2", 6 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HD1", 1 }, { "HE1", 1 }, { "HE3", 1 }, { "HZ2", 1 }, { "HZ3", 1 }, { "HH2", 1 }, { "HH2", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD2" }, { "CD1", "NE1" }, { "CD1", "HD1" }, { "CD2", "CE3" }, { "NE1", "CE2" }, { "NE1", "HE1" }, { "CE2", "CZ2" }, { "CE3", "HE3" }, { "CZ2", "HZ2" }, { "CZ3", "CH2" }, { "CZ3", "HZ3" }, { "CH2", "HH2" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" }, { "CG", "CD1" }, { "CD2", "CE2" }, { "CE3", "CZ3" }, { "CZ2", "CH2" } }); ResidueData TYRData( "TYR", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "CD1", 6 }, { "CD2", 6 }, { "CE1", 6 }, { "CE2", 6 }, { "CZ", 6 }, { "OH", 8 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HD1", 1 }, { "HD2", 1 }, { "HE1", 1 }, { "HE2", 1 }, { "HH", 1 }, { "HH", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD2" }, { "CD1", "CE1" }, { "CD1", "HD1" }, { "CD2", "HD2" }, { "CE1", "HE1" }, { "CE2", "CZ" }, { "CE2", "HE2" }, { "CZ", "OH" }, { "OH", "HH" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" }, { "CG", "CD1" }, { "CD2", "CE2" }, { "CE1", "CZ" } }); ResidueData DAData( "DA", // Atoms { { "OP3", 8 }, { "P", 15 }, { "OP1", 8 }, { "OP2", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "N6", 7 }, { "N1", 7 }, { "C2", 6 }, { "N3", 7 }, { "C4", 6 }, { "HOP3", 1 }, { "HOP2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "H2''", 1 }, { "H1'", 1 }, { "H8", 1 }, { "H61", 1 }, { "H62", 1 }, { "H62", 1 } }, // Single Bonds { { "OP3", "P" }, { "OP3", "HOP3" }, { "P", "OP2" }, { "P", "O5'" }, { "OP2", "HOP2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "C2'", "H2''" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N6" }, { "N6", "H61" }, { "N6", "H62" }, { "N1", "C2" }, { "C2", "H2" }, { "N3", "C4" } }, // Double Bonds { { "P", "OP1" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "N1" }, { "C2", "N3" } }); ResidueData DCData( "DC", // Atoms { { "OP3", 8 }, { "P", 15 }, { "OP1", 8 }, { "OP2", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "C1'", 6 }, { "N1", 7 }, { "C2", 6 }, { "O2", 8 }, { "N3", 7 }, { "C4", 6 }, { "N4", 7 }, { "C5", 6 }, { "C6", 6 }, { "HOP3", 1 }, { "HOP2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "H2''", 1 }, { "H1'", 1 }, { "H41", 1 }, { "H42", 1 }, { "H5", 1 }, { "H5", 1 } }, // Single Bonds { { "OP3", "P" }, { "OP3", "HOP3" }, { "P", "OP2" }, { "P", "O5'" }, { "OP2", "HOP2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "C2'", "H2''" }, { "C1'", "N1" }, { "C1'", "H1'" }, { "N1", "C2" }, { "N1", "C6" }, { "C2", "N3" }, { "C4", "N4" }, { "C4", "C5" }, { "N4", "H41" }, { "N4", "H42" }, { "C5", "H5" }, { "C6", "H6" } }, // Double Bonds { { "P", "OP1" }, { "C2", "O2" }, { "N3", "C4" }, { "C5", "C6" } }); ResidueData DGData( "DG", // Atoms { { "OP3", 8 }, { "P", 15 }, { "OP1", 8 }, { "OP2", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "O6", 8 }, { "N1", 7 }, { "C2", 6 }, { "N2", 7 }, { "N3", 7 }, { "C4", 6 }, { "HOP3", 1 }, { "HOP2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "H2''", 1 }, { "H1'", 1 }, { "H8", 1 }, { "H1", 1 }, { "H21", 1 }, { "H21", 1 } }, // Single Bonds { { "OP3", "P" }, { "OP3", "HOP3" }, { "P", "OP2" }, { "P", "O5'" }, { "OP2", "HOP2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "C2'", "H2''" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N1" }, { "N1", "C2" }, { "N1", "H1" }, { "C2", "N2" }, { "N2", "H21" }, { "N2", "H22" }, { "N3", "C4" } }, // Double Bonds { { "P", "OP1" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "O6" }, { "C2", "N3" } }); ResidueData DTData( "DT", // Atoms { { "OP3", 8 }, { "P", 15 }, { "OP1", 8 }, { "OP2", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "C1'", 6 }, { "N1", 7 }, { "C2", 6 }, { "O2", 8 }, { "N3", 7 }, { "C4", 6 }, { "O4", 8 }, { "C5", 6 }, { "C7", 6 }, { "C6", 6 }, { "HOP3", 1 }, { "HOP2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "H2''", 1 }, { "H1'", 1 }, { "H3", 1 }, { "H71", 1 }, { "H72", 1 }, { "H73", 1 }, { "H73", 1 } }, // Single Bonds { { "OP3", "P" }, { "OP3", "HOP3" }, { "P", "OP2" }, { "P", "O5'" }, { "OP2", "HOP2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "C2'", "H2''" }, { "C1'", "N1" }, { "C1'", "H1'" }, { "N1", "C2" }, { "N1", "C6" }, { "C2", "N3" }, { "N3", "C4" }, { "N3", "H3" }, { "C4", "C5" }, { "C5", "C7" }, { "C7", "H71" }, { "C7", "H72" }, { "C7", "H73" }, { "C6", "H6" } }, // Double Bonds { { "P", "OP1" }, { "C2", "O2" }, { "C4", "O4" }, { "C5", "C6" } }); ResidueData DIData( "DI", // Atoms { { "OP3", 8 }, { "P", 15 }, { "OP1", 8 }, { "OP2", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "O6", 8 }, { "N1", 7 }, { "C2", 6 }, { "N3", 7 }, { "C4", 6 }, { "HOP3", 1 }, { "HOP2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "H2''", 1 }, { "H1'", 1 }, { "H8", 1 }, { "H1", 1 }, { "H1", 1 } }, // Single Bonds { { "OP3", "P" }, { "OP3", "HOP3" }, { "P", "OP2" }, { "P", "O5'" }, { "OP2", "HOP2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "C2'", "H2''" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N1" }, { "N1", "C2" }, { "N1", "H1" }, { "C2", "H2" }, { "N3", "C4" } }, // Double Bonds { { "P", "OP1" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "O6" }, { "C2", "N3" } }); ResidueData AData( "A", // Atoms { { "OP3", 8 }, { "P", 15 }, { "OP1", 8 }, { "OP2", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "N6", 7 }, { "N1", 7 }, { "C2", 6 }, { "N3", 7 }, { "C4", 6 }, { "HOP3", 1 }, { "HOP2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "H61", 1 }, { "H62", 1 }, { "H62", 1 } }, // Single Bonds { { "OP3", "P" }, { "OP3", "HOP3" }, { "P", "OP2" }, { "P", "O5'" }, { "OP2", "HOP2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N6" }, { "N6", "H61" }, { "N6", "H62" }, { "N1", "C2" }, { "C2", "H2" }, { "N3", "C4" } }, // Double Bonds { { "P", "OP1" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "N1" }, { "C2", "N3" } }); ResidueData CData( "C", // Atoms { { "OP3", 8 }, { "P", 15 }, { "OP1", 8 }, { "OP2", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N1", 7 }, { "C2", 6 }, { "O2", 8 }, { "N3", 7 }, { "C4", 6 }, { "N4", 7 }, { "C5", 6 }, { "C6", 6 }, { "HOP3", 1 }, { "HOP2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H41", 1 }, { "H42", 1 }, { "H5", 1 }, { "H5", 1 } }, // Single Bonds { { "OP3", "P" }, { "OP3", "HOP3" }, { "P", "OP2" }, { "P", "O5'" }, { "OP2", "HOP2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N1" }, { "C1'", "H1'" }, { "N1", "C2" }, { "N1", "C6" }, { "C2", "N3" }, { "C4", "N4" }, { "C4", "C5" }, { "N4", "H41" }, { "N4", "H42" }, { "C5", "H5" }, { "C6", "H6" } }, // Double Bonds { { "P", "OP1" }, { "C2", "O2" }, { "N3", "C4" }, { "C5", "C6" } }); ResidueData GData( "G", // Atoms { { "OP3", 8 }, { "P", 15 }, { "OP1", 8 }, { "OP2", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "O6", 8 }, { "N1", 7 }, { "C2", 6 }, { "N2", 7 }, { "N3", 7 }, { "C4", 6 }, { "HOP3", 1 }, { "HOP2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "H1", 1 }, { "H21", 1 }, { "H21", 1 } }, // Single Bonds { { "OP3", "P" }, { "OP3", "HOP3" }, { "P", "OP2" }, { "P", "O5'" }, { "OP2", "HOP2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N1" }, { "N1", "C2" }, { "N1", "H1" }, { "C2", "N2" }, { "N2", "H21" }, { "N2", "H22" }, { "N3", "C4" } }, // Double Bonds { { "P", "OP1" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "O6" }, { "C2", "N3" } }); ResidueData UData( "U", // Atoms { { "OP3", 8 }, { "P", 15 }, { "OP1", 8 }, { "OP2", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N1", 7 }, { "C2", 6 }, { "O2", 8 }, { "N3", 7 }, { "C4", 6 }, { "O4", 8 }, { "C5", 6 }, { "C6", 6 }, { "HOP3", 1 }, { "HOP2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H3", 1 }, { "H5", 1 }, { "H5", 1 } }, // Single Bonds { { "OP3", "P" }, { "OP3", "HOP3" }, { "P", "OP2" }, { "P", "O5'" }, { "OP2", "HOP2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N1" }, { "C1'", "H1'" }, { "N1", "C2" }, { "N1", "C6" }, { "C2", "N3" }, { "N3", "C4" }, { "N3", "H3" }, { "C4", "C5" }, { "C5", "H5" }, { "C6", "H6" } }, // Double Bonds { { "P", "OP1" }, { "C2", "O2" }, { "C4", "O4" }, { "C5", "C6" } }); ResidueData IData( "I", // Atoms { { "OP3", 8 }, { "P", 15 }, { "OP1", 8 }, { "OP2", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "O6", 8 }, { "N1", 7 }, { "C2", 6 }, { "N3", 7 }, { "C4", 6 }, { "HOP3", 1 }, { "HOP2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "H1", 1 }, { "H1", 1 } }, // Single Bonds { { "OP3", "P" }, { "OP3", "HOP3" }, { "P", "OP2" }, { "P", "O5'" }, { "OP2", "HOP2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N1" }, { "N1", "C2" }, { "N1", "H1" }, { "C2", "H2" }, { "N3", "C4" } }, // Double Bonds { { "P", "OP1" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "O6" }, { "C2", "N3" } }); ResidueData HEMData( "HEM", // Atoms { { "CHA", 6 }, { "CHB", 6 }, { "CHC", 6 }, { "CHD", 6 }, { "C1A", 6 }, { "C2A", 6 }, { "C3A", 6 }, { "C4A", 6 }, { "CMA", 6 }, { "CAA", 6 }, { "CBA", 6 }, { "CGA", 6 }, { "O1A", 8 }, { "O2A", 8 }, { "C1B", 6 }, { "C2B", 6 }, { "C3B", 6 }, { "C4B", 6 }, { "CMB", 6 }, { "CAB", 6 }, { "CBB", 6 }, { "C1C", 6 }, { "C2C", 6 }, { "C3C", 6 }, { "C4C", 6 }, { "CMC", 6 }, { "CAC", 6 }, { "CBC", 6 }, { "C1D", 6 }, { "C2D", 6 }, { "C3D", 6 }, { "C4D", 6 }, { "CMD", 6 }, { "CAD", 6 }, { "CBD", 6 }, { "CGD", 6 }, { "O1D", 8 }, { "O2D", 8 }, { "NA", 7 }, { "NB", 7 }, { "NC", 7 }, { "ND", 7 }, { "FE", 26 }, { "HHB", 1 }, { "HHC", 1 }, { "HHD", 1 }, { "HMA", 1 }, { "HMAA", 1 }, { "HMAB", 1 }, { "HAA", 1 }, { "HAAA", 1 }, { "HBA", 1 }, { "HBAA", 1 }, { "HMB", 1 }, { "HMBA", 1 }, { "HMBB", 1 }, { "HAB", 1 }, { "HBB", 1 }, { "HBBA", 1 }, { "HMC", 1 }, { "HMCA", 1 }, { "HMCB", 1 }, { "HAC", 1 }, { "HBC", 1 }, { "HBCA", 1 }, { "HMD", 1 }, { "HMDA", 1 }, { "HMDB", 1 }, { "HAD", 1 }, { "HADA", 1 }, { "HBD", 1 }, { "HBDA", 1 }, { "H2A", 1 }, { "H2D", 1 }, { "H2D", 1 } }, // Single Bonds { { "CHA", "C1A" }, { "CHA", "HHA" }, { "CHB", "C4A" }, { "CHB", "HHB" }, { "CHC", "C4B" }, { "CHC", "HHC" }, { "CHD", "C1D" }, { "CHD", "HHD" }, { "C1A", "NA" }, { "C2A", "C3A" }, { "C2A", "CAA" }, { "C3A", "CMA" }, { "C4A", "NA" }, { "CMA", "HMA" }, { "CMA", "HMAA" }, { "CMA", "HMAB" }, { "CAA", "CBA" }, { "CAA", "HAA" }, { "CAA", "HAAA" }, { "CBA", "CGA" }, { "CBA", "HBA" }, { "CBA", "HBAA" }, { "CGA", "O2A" }, { "O2A", "H2A" }, { "C1B", "C2B" }, { "C1B", "NB" }, { "C2B", "CMB" }, { "C3B", "C4B" }, { "C3B", "CAB" }, { "CMB", "HMB" }, { "CMB", "HMBA" }, { "CMB", "HMBB" }, { "CAB", "HAB" }, { "CBB", "HBB" }, { "CBB", "HBBA" }, { "C1C", "C2C" }, { "C1C", "NC" }, { "C2C", "CMC" }, { "C3C", "C4C" }, { "C3C", "CAC" }, { "C4C", "NC" }, { "CMC", "HMC" }, { "CMC", "HMCA" }, { "CMC", "HMCB" }, { "CAC", "HAC" }, { "CBC", "HBC" }, { "CBC", "HBCA" }, { "C1D", "C2D" }, { "C2D", "CMD" }, { "C3D", "C4D" }, { "C3D", "CAD" }, { "C4D", "ND" }, { "CMD", "HMD" }, { "CMD", "HMDA" }, { "CMD", "HMDB" }, { "CAD", "CBD" }, { "CAD", "HAD" }, { "CAD", "HADA" }, { "CBD", "CGD" }, { "CBD", "HBD" }, { "CBD", "HBDA" }, { "CGD", "O2D" }, { "O2D", "H2D" }, { "FE", "NA" }, { "FE", "NB" }, { "FE", "NC" }, { "FE", "ND" } }, // Double Bonds { { "CHA", "C4D" }, { "CHB", "C1B" }, { "CHC", "C1C" }, { "CHD", "C4C" }, { "C1A", "C2A" }, { "C3A", "C4A" }, { "CGA", "O1A" }, { "C2B", "C3B" }, { "C4B", "NB" }, { "CAB", "CBB" }, { "C2C", "C3C" }, { "CAC", "CBC" }, { "C1D", "ND" }, { "C2D", "C3D" }, { "CGD", "O1D" } }); ResidueData HOHData("HOH", // Atoms { { "O", 8 }, { "H1", 1 }, { "H1", 1 } }, // Single Bonds { { "O", "H1" }, { "O", "H2" } }, // Double Bonds {}); ResidueData SO4Data( "SO4", // Atoms { { "S", 16 }, { "O1", 8 }, { "O2", 8 }, { "O3", 8 }, { "O3", 8 } }, // Single Bonds { { "S", "O3" }, { "S", "O4" } }, // Double Bonds { { "S", "O1" }, { "S", "O2" } }); ResidueData GOLData("GOL", // Atoms { { "C1", 6 }, { "O1", 8 }, { "C2", 6 }, { "O2", 8 }, { "C3", 6 }, { "O3", 8 }, { "H11", 1 }, { "H12", 1 }, { "HO1", 1 }, { "H2", 1 }, { "HO2", 1 }, { "H31", 1 }, { "H32", 1 }, { "H32", 1 } }, // Single Bonds { { "C1", "O1" }, { "C1", "C2" }, { "C1", "H11" }, { "C1", "H12" }, { "O1", "HO1" }, { "C2", "O2" }, { "C2", "C3" }, { "C2", "H2" }, { "O2", "HO2" }, { "C3", "O3" }, { "C3", "H31" }, { "C3", "H32" }, { "O3", "HO3" } }, // Double Bonds {}); ResidueData EDOData("EDO", // Atoms { { "C1", 6 }, { "O1", 8 }, { "C2", 6 }, { "O2", 8 }, { "H11", 1 }, { "H12", 1 }, { "HO1", 1 }, { "H21", 1 }, { "H22", 1 }, { "H22", 1 } }, // Single Bonds { { "C1", "O1" }, { "C1", "C2" }, { "C1", "H11" }, { "C1", "H12" }, { "O1", "HO1" }, { "C2", "O2" }, { "C2", "H21" }, { "C2", "H22" }, { "O2", "HO2" } }, // Double Bonds {}); ResidueData MSEData("MSE", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "OXT", 8 }, { "CB", 6 }, { "CG", 6 }, { "SE", 34 }, { "CE", 6 }, { "H", 1 }, { "HN2", 1 }, { "HA", 1 }, { "HXT", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG2", 1 }, { "HG3", 1 }, { "HE1", 1 }, { "HE2", 1 }, { "HE2", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "HN2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "OXT", "HXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "SE" }, { "CG", "HG2" }, { "CG", "HG3" }, { "SE", "CE" }, { "CE", "HE1" }, { "CE", "HE2" }, { "CE", "HE3" } }, // Double Bonds { { "C", "O" } }); ResidueData NAGData( "NAG", // Atoms { { "C1", 6 }, { "C2", 6 }, { "C3", 6 }, { "C4", 6 }, { "C5", 6 }, { "C6", 6 }, { "C7", 6 }, { "C8", 6 }, { "N2", 7 }, { "O1", 8 }, { "O3", 8 }, { "O4", 8 }, { "O5", 8 }, { "O6", 8 }, { "O7", 8 }, { "H1", 1 }, { "H2", 1 }, { "H3", 1 }, { "H4", 1 }, { "H5", 1 }, { "H61", 1 }, { "H62", 1 }, { "H81", 1 }, { "H82", 1 }, { "H83", 1 }, { "HN2", 1 }, { "HO1", 1 }, { "HO3", 1 }, { "HO4", 1 }, { "HO4", 1 } }, // Single Bonds { { "C1", "C2" }, { "C1", "O1" }, { "C1", "O5" }, { "C1", "H1" }, { "C2", "C3" }, { "C2", "N2" }, { "C2", "H2" }, { "C3", "C4" }, { "C3", "O3" }, { "C3", "H3" }, { "C4", "C5" }, { "C4", "O4" }, { "C4", "H4" }, { "C5", "C6" }, { "C5", "O5" }, { "C5", "H5" }, { "C6", "O6" }, { "C6", "H61" }, { "C6", "H62" }, { "C7", "C8" }, { "C7", "N2" }, { "C8", "H81" }, { "C8", "H82" }, { "C8", "H83" }, { "N2", "HN2" }, { "O1", "HO1" }, { "O3", "HO3" }, { "O4", "HO4" }, { "O6", "HO6" } }, // Double Bonds { { "C7", "O7" } }); ResidueData PO4Data( "PO4", // Atoms { { "P", 15 }, { "O1", 8 }, { "O2", 8 }, { "O3", 8 }, { "O3", 8 } }, // Single Bonds { { "P", "O2" }, { "P", "O3" }, { "P", "O4" } }, // Double Bonds { { "P", "O1" } }); ResidueData ACTData("ACT", // Atoms { { "C", 6 }, { "O", 8 }, { "OXT", 8 }, { "CH3", 6 }, { "H1", 1 }, { "H2", 1 }, { "H2", 1 } }, // Single Bonds { { "C", "OXT" }, { "C", "CH3" }, { "CH3", "H1" }, { "CH3", "H2" }, { "CH3", "H3" } }, // Double Bonds { { "C", "O" } }); ResidueData PEGData("PEG", // Atoms { { "C1", 6 }, { "O1", 8 }, { "C2", 6 }, { "O2", 8 }, { "C3", 6 }, { "C4", 6 }, { "O4", 8 }, { "H11", 1 }, { "H12", 1 }, { "HO1", 1 }, { "H21", 1 }, { "H22", 1 }, { "H31", 1 }, { "H32", 1 }, { "H41", 1 }, { "H42", 1 }, { "H42", 1 } }, // Single Bonds { { "C1", "O1" }, { "C1", "C2" }, { "C1", "H11" }, { "C1", "H12" }, { "O1", "HO1" }, { "C2", "O2" }, { "C2", "H21" }, { "C2", "H22" }, { "O2", "C3" }, { "C3", "C4" }, { "C3", "H31" }, { "C3", "H32" }, { "C4", "O4" }, { "C4", "H41" }, { "C4", "H42" }, { "O4", "HO4" } }, // Double Bonds {}); ResidueData BMAData( "BMA", // Atoms { { "C1", 6 }, { "C2", 6 }, { "C3", 6 }, { "C4", 6 }, { "C5", 6 }, { "C6", 6 }, { "O1", 8 }, { "O2", 8 }, { "O3", 8 }, { "O4", 8 }, { "O5", 8 }, { "O6", 8 }, { "H1", 1 }, { "H2", 1 }, { "H3", 1 }, { "H4", 1 }, { "H5", 1 }, { "H61", 1 }, { "H62", 1 }, { "HO1", 1 }, { "HO2", 1 }, { "HO3", 1 }, { "HO4", 1 }, { "HO4", 1 } }, // Single Bonds { { "C1", "C2" }, { "C1", "O1" }, { "C1", "O5" }, { "C1", "H1" }, { "C2", "C3" }, { "C2", "O2" }, { "C2", "H2" }, { "C3", "C4" }, { "C3", "O3" }, { "C3", "H3" }, { "C4", "C5" }, { "C4", "O4" }, { "C4", "H4" }, { "C5", "C6" }, { "C5", "O5" }, { "C5", "H5" }, { "C6", "O6" }, { "C6", "H61" }, { "C6", "H62" }, { "O1", "HO1" }, { "O2", "HO2" }, { "O3", "HO3" }, { "O4", "HO4" }, { "O6", "HO6" } }, // Double Bonds {}); ResidueData MANData( "MAN", // Atoms { { "C1", 6 }, { "C2", 6 }, { "C3", 6 }, { "C4", 6 }, { "C5", 6 }, { "C6", 6 }, { "O1", 8 }, { "O2", 8 }, { "O3", 8 }, { "O4", 8 }, { "O5", 8 }, { "O6", 8 }, { "H1", 1 }, { "H2", 1 }, { "H3", 1 }, { "H4", 1 }, { "H5", 1 }, { "H61", 1 }, { "H62", 1 }, { "HO1", 1 }, { "HO2", 1 }, { "HO3", 1 }, { "HO4", 1 }, { "HO4", 1 } }, // Single Bonds { { "C1", "C2" }, { "C1", "O1" }, { "C1", "O5" }, { "C1", "H1" }, { "C2", "C3" }, { "C2", "O2" }, { "C2", "H2" }, { "C3", "C4" }, { "C3", "O3" }, { "C3", "H3" }, { "C4", "C5" }, { "C4", "O4" }, { "C4", "H4" }, { "C5", "C6" }, { "C5", "O5" }, { "C5", "H5" }, { "C6", "O6" }, { "C6", "H61" }, { "C6", "H62" }, { "O1", "HO1" }, { "O2", "HO2" }, { "O3", "HO3" }, { "O4", "HO4" }, { "O6", "HO6" } }, // Double Bonds {}); ResidueData DMSData("DMS", // Atoms { { "S", 16 }, { "O", 8 }, { "C1", 6 }, { "C2", 6 }, { "H11", 1 }, { "H12", 1 }, { "H13", 1 }, { "H21", 1 }, { "H22", 1 }, { "H22", 1 } }, // Single Bonds { { "S", "C1" }, { "S", "C2" }, { "C1", "H11" }, { "C1", "H12" }, { "C1", "H13" }, { "C2", "H21" }, { "C2", "H22" }, { "C2", "H23" } }, // Double Bonds { { "S", "O" } }); ResidueData ADPData( "ADP", // Atoms { { "PB", 15 }, { "O1B", 8 }, { "O2B", 8 }, { "O3B", 8 }, { "PA", 15 }, { "O1A", 8 }, { "O2A", 8 }, { "O3A", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "N6", 7 }, { "N1", 7 }, { "C2", 6 }, { "N3", 7 }, { "C4", 6 }, { "HOB2", 1 }, { "HOB3", 1 }, { "HOA2", 1 }, { "H5'1", 1 }, { "H5'2", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "HN61", 1 }, { "HN62", 1 }, { "HN62", 1 } }, // Single Bonds { { "PB", "O2B" }, { "PB", "O3B" }, { "PB", "O3A" }, { "O2B", "HOB2" }, { "O3B", "HOB3" }, { "PA", "O2A" }, { "PA", "O3A" }, { "PA", "O5'" }, { "O2A", "HOA2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'1" }, { "C5'", "H5'2" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N6" }, { "N6", "HN61" }, { "N6", "HN62" }, { "N1", "C2" }, { "C2", "H2" }, { "N3", "C4" } }, // Double Bonds { { "PB", "O1B" }, { "PA", "O1A" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "N1" }, { "C2", "N3" } }); ResidueData FADData( "FAD", // Atoms { { "PA", 15 }, { "O1A", 8 }, { "O2A", 8 }, { "O5B", 8 }, { "C5B", 6 }, { "C4B", 6 }, { "O4B", 8 }, { "C3B", 6 }, { "O3B", 8 }, { "C2B", 6 }, { "O2B", 8 }, { "C1B", 6 }, { "N9A", 7 }, { "C8A", 6 }, { "N7A", 7 }, { "C5A", 6 }, { "C6A", 6 }, { "N6A", 7 }, { "N1A", 7 }, { "C2A", 6 }, { "N3A", 7 }, { "C4A", 6 }, { "N1", 7 }, { "C2", 6 }, { "O2", 8 }, { "N3", 7 }, { "C4", 6 }, { "O4", 8 }, { "C4X", 6 }, { "N5", 7 }, { "C5X", 6 }, { "C6", 6 }, { "C7", 6 }, { "C7M", 6 }, { "C8", 6 }, { "C8M", 6 }, { "C9", 6 }, { "C9A", 6 }, { "N10", 7 }, { "C10", 6 }, { "C1'", 6 }, { "C2'", 6 }, { "O2'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C4'", 6 }, { "O4'", 8 }, { "C5'", 6 }, { "O5'", 8 }, { "P", 15 }, { "O1P", 8 }, { "O2P", 8 }, { "O3P", 8 }, { "HOA2", 1 }, { "H51A", 1 }, { "H52A", 1 }, { "H4B", 1 }, { "H3B", 1 }, { "HO3A", 1 }, { "H2B", 1 }, { "HO2A", 1 }, { "H1B", 1 }, { "H8A", 1 }, { "H61A", 1 }, { "H62A", 1 }, { "H2A", 1 }, { "HN3", 1 }, { "H6", 1 }, { "HM71", 1 }, { "HM72", 1 }, { "HM73", 1 }, { "HM81", 1 }, { "HM82", 1 }, { "HM83", 1 }, { "H9", 1 }, { "H1'1", 1 }, { "H1'2", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H4'", 1 }, { "HO4'", 1 }, { "H5'1", 1 }, { "H5'2", 1 }, { "H5'2", 1 } }, // Single Bonds { { "PA", "O2A" }, { "PA", "O5B" }, { "PA", "O3P" }, { "O2A", "HOA2" }, { "O5B", "C5B" }, { "C5B", "C4B" }, { "C5B", "H51A" }, { "C5B", "H52A" }, { "C4B", "O4B" }, { "C4B", "C3B" }, { "C4B", "H4B" }, { "O4B", "C1B" }, { "C3B", "O3B" }, { "C3B", "C2B" }, { "C3B", "H3B" }, { "O3B", "HO3A" }, { "C2B", "O2B" }, { "C2B", "C1B" }, { "C2B", "H2B" }, { "O2B", "HO2A" }, { "C1B", "N9A" }, { "C1B", "H1B" }, { "N9A", "C8A" }, { "N9A", "C4A" }, { "C8A", "H8A" }, { "N7A", "C5A" }, { "C5A", "C6A" }, { "C6A", "N6A" }, { "N6A", "H61A" }, { "N6A", "H62A" }, { "N1A", "C2A" }, { "C2A", "H2A" }, { "N3A", "C4A" }, { "N1", "C2" }, { "C2", "N3" }, { "N3", "C4" }, { "N3", "HN3" }, { "C4", "C4X" }, { "C4X", "C10" }, { "N5", "C5X" }, { "C5X", "C9A" }, { "C6", "C7" }, { "C6", "H6" }, { "C7", "C7M" }, { "C7M", "HM71" }, { "C7M", "HM72" }, { "C7M", "HM73" }, { "C8", "C8M" }, { "C8", "C9" }, { "C8M", "HM81" }, { "C8M", "HM82" }, { "C8M", "HM83" }, { "C9", "H9" }, { "C9A", "N10" }, { "N10", "C10" }, { "N10", "C1'" }, { "C1'", "C2'" }, { "C1'", "H1'1" }, { "C1'", "H1'2" }, { "C2'", "O2'" }, { "C2'", "C3'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C3'", "O3'" }, { "C3'", "C4'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C4'", "O4'" }, { "C4'", "C5'" }, { "C4'", "H4'" }, { "O4'", "HO4'" }, { "C5'", "O5'" }, { "C5'", "H5'1" }, { "C5'", "H5'2" }, { "O5'", "P" }, { "P", "O2P" }, { "P", "O3P" }, { "O2P", "HOP2" } }, // Double Bonds { { "PA", "O1A" }, { "C8A", "N7A" }, { "C5A", "C4A" }, { "C6A", "N1A" }, { "C2A", "N3A" }, { "N1", "C10" }, { "C2", "O2" }, { "C4", "O4" }, { "C4X", "N5" }, { "C5X", "C6" }, { "C7", "C8" }, { "C9", "C9A" }, { "P", "O1P" } }); ResidueData ACEData("ACE", // Atoms { { "C", 6 }, { "O", 8 }, { "CH3", 6 }, { "H", 1 }, { "H1", 1 }, { "H2", 1 }, { "H2", 1 } }, // Single Bonds { { "C", "CH3" }, { "C", "H" }, { "CH3", "H1" }, { "CH3", "H2" }, { "CH3", "H3" } }, // Double Bonds { { "C", "O" } }); ResidueData MPDData("MPD", // Atoms { { "C1", 6 }, { "C2", 6 }, { "O2", 8 }, { "CM", 6 }, { "C3", 6 }, { "C4", 6 }, { "O4", 8 }, { "C5", 6 }, { "H11", 1 }, { "H12", 1 }, { "H13", 1 }, { "HO2", 1 }, { "HM1", 1 }, { "HM2", 1 }, { "HM3", 1 }, { "H31", 1 }, { "H32", 1 }, { "H4", 1 }, { "HO4", 1 }, { "H51", 1 }, { "H52", 1 }, { "H52", 1 } }, // Single Bonds { { "C1", "C2" }, { "C1", "H11" }, { "C1", "H12" }, { "C1", "H13" }, { "C2", "O2" }, { "C2", "CM" }, { "C2", "C3" }, { "O2", "HO2" }, { "CM", "HM1" }, { "CM", "HM2" }, { "CM", "HM3" }, { "C3", "C4" }, { "C3", "H31" }, { "C3", "H32" }, { "C4", "O4" }, { "C4", "C5" }, { "C4", "H4" }, { "O4", "HO4" }, { "C5", "H51" }, { "C5", "H52" }, { "C5", "H53" } }, // Double Bonds {}); ResidueData GLCData( "GLC", // Atoms { { "C1", 6 }, { "C2", 6 }, { "C3", 6 }, { "C4", 6 }, { "C5", 6 }, { "C6", 6 }, { "O1", 8 }, { "O2", 8 }, { "O3", 8 }, { "O4", 8 }, { "O5", 8 }, { "O6", 8 }, { "H1", 1 }, { "H2", 1 }, { "H3", 1 }, { "H4", 1 }, { "H5", 1 }, { "H61", 1 }, { "H62", 1 }, { "HO1", 1 }, { "HO2", 1 }, { "HO3", 1 }, { "HO4", 1 }, { "HO4", 1 } }, // Single Bonds { { "C1", "C2" }, { "C1", "O1" }, { "C1", "O5" }, { "C1", "H1" }, { "C2", "C3" }, { "C2", "O2" }, { "C2", "H2" }, { "C3", "C4" }, { "C3", "O3" }, { "C3", "H3" }, { "C4", "C5" }, { "C4", "O4" }, { "C4", "H4" }, { "C5", "C6" }, { "C5", "O5" }, { "C5", "H5" }, { "C6", "O6" }, { "C6", "H61" }, { "C6", "H62" }, { "O1", "HO1" }, { "O2", "HO2" }, { "O3", "HO3" }, { "O4", "HO4" }, { "O6", "HO6" } }, // Double Bonds {}); ResidueData ATPData( "ATP", // Atoms { { "PG", 15 }, { "O1G", 8 }, { "O2G", 8 }, { "O3G", 8 }, { "PB", 15 }, { "O1B", 8 }, { "O2B", 8 }, { "O3B", 8 }, { "PA", 15 }, { "O1A", 8 }, { "O2A", 8 }, { "O3A", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "N6", 7 }, { "N1", 7 }, { "C2", 6 }, { "N3", 7 }, { "C4", 6 }, { "HOG2", 1 }, { "HOG3", 1 }, { "HOB2", 1 }, { "HOA2", 1 }, { "H5'1", 1 }, { "H5'2", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "HN61", 1 }, { "HN62", 1 }, { "HN62", 1 } }, // Single Bonds { { "PG", "O2G" }, { "PG", "O3G" }, { "PG", "O3B" }, { "O2G", "HOG2" }, { "O3G", "HOG3" }, { "PB", "O2B" }, { "PB", "O3B" }, { "PB", "O3A" }, { "O2B", "HOB2" }, { "PA", "O2A" }, { "PA", "O3A" }, { "PA", "O5'" }, { "O2A", "HOA2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'1" }, { "C5'", "H5'2" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N6" }, { "N6", "HN61" }, { "N6", "HN62" }, { "N1", "C2" }, { "C2", "H2" }, { "N3", "C4" } }, // Double Bonds { { "PG", "O1G" }, { "PB", "O1B" }, { "PA", "O1A" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "N1" }, { "C2", "N3" } }); ResidueData MESData( "MES", // Atoms { { "O1", 8 }, { "C2", 6 }, { "C3", 6 }, { "N4", 7 }, { "C5", 6 }, { "C6", 6 }, { "C7", 6 }, { "C8", 6 }, { "S", 16 }, { "O1S", 8 }, { "O2S", 8 }, { "O3S", 8 }, { "H21", 1 }, { "H22", 1 }, { "H31", 1 }, { "H32", 1 }, { "HN4", 1 }, { "H51", 1 }, { "H52", 1 }, { "H61", 1 }, { "H62", 1 }, { "H71", 1 }, { "H72", 1 }, { "H81", 1 }, { "H81", 1 } }, // Single Bonds { { "O1", "C2" }, { "O1", "C6" }, { "C2", "C3" }, { "C2", "H21" }, { "C2", "H22" }, { "C3", "N4" }, { "C3", "H31" }, { "C3", "H32" }, { "N4", "C5" }, { "N4", "C7" }, { "N4", "HN4" }, { "C5", "C6" }, { "C5", "H51" }, { "C5", "H52" }, { "C6", "H61" }, { "C6", "H62" }, { "C7", "C8" }, { "C7", "H71" }, { "C7", "H72" }, { "C8", "S" }, { "C8", "H81" }, { "C8", "H82" }, { "S", "O3S" } }, // Double Bonds { { "S", "O1S" }, { "S", "O2S" } }); ResidueData TRSData("TRS", // Atoms { { "C", 6 }, { "C1", 6 }, { "C2", 6 }, { "C3", 6 }, { "N", 7 }, { "O1", 8 }, { "O2", 8 }, { "O3", 8 }, { "H11", 1 }, { "H12", 1 }, { "H21", 1 }, { "H22", 1 }, { "H31", 1 }, { "H32", 1 }, { "HN1", 1 }, { "HN2", 1 }, { "HN3", 1 }, { "HO1", 1 }, { "HO2", 1 }, { "HO2", 1 } }, // Single Bonds { { "C", "C1" }, { "C", "C2" }, { "C", "C3" }, { "C", "N" }, { "C1", "O1" }, { "C1", "H11" }, { "C1", "H12" }, { "C2", "O2" }, { "C2", "H21" }, { "C2", "H22" }, { "C3", "O3" }, { "C3", "H31" }, { "C3", "H32" }, { "N", "HN1" }, { "N", "HN2" }, { "N", "HN3" }, { "O1", "HO1" }, { "O2", "HO2" }, { "O3", "HO3" } }, // Double Bonds {}); ResidueData PG4Data( "PG4", // Atoms { { "O1", 8 }, { "C1", 6 }, { "C2", 6 }, { "O2", 8 }, { "C3", 6 }, { "C4", 6 }, { "O3", 8 }, { "C5", 6 }, { "C6", 6 }, { "O4", 8 }, { "C7", 6 }, { "C8", 6 }, { "O5", 8 }, { "HO1", 1 }, { "H11", 1 }, { "H12", 1 }, { "H21", 1 }, { "H22", 1 }, { "H31", 1 }, { "H32", 1 }, { "H41", 1 }, { "H42", 1 }, { "H51", 1 }, { "H52", 1 }, { "H61", 1 }, { "H62", 1 }, { "H71", 1 }, { "H72", 1 }, { "H81", 1 }, { "H82", 1 }, { "H82", 1 } }, // Single Bonds { { "O1", "C1" }, { "O1", "HO1" }, { "C1", "C2" }, { "C1", "H11" }, { "C1", "H12" }, { "C2", "O2" }, { "C2", "H21" }, { "C2", "H22" }, { "O2", "C3" }, { "C3", "C4" }, { "C3", "H31" }, { "C3", "H32" }, { "C4", "O3" }, { "C4", "H41" }, { "C4", "H42" }, { "O3", "C5" }, { "C5", "C6" }, { "C5", "H51" }, { "C5", "H52" }, { "C6", "O4" }, { "C6", "H61" }, { "C6", "H62" }, { "O4", "C7" }, { "C7", "C8" }, { "C7", "H71" }, { "C7", "H72" }, { "C8", "O5" }, { "C8", "H81" }, { "C8", "H82" }, { "O5", "HO5" } }, // Double Bonds {}); ResidueData PGEData( "PGE", // Atoms { { "C1", 6 }, { "O1", 8 }, { "C2", 6 }, { "O2", 8 }, { "C3", 6 }, { "C4", 6 }, { "O4", 8 }, { "C6", 6 }, { "C5", 6 }, { "O3", 8 }, { "H1", 1 }, { "H12", 1 }, { "HO1", 1 }, { "H2", 1 }, { "H22", 1 }, { "H3", 1 }, { "H32", 1 }, { "H4", 1 }, { "H42", 1 }, { "HO4", 1 }, { "H6", 1 }, { "H62", 1 }, { "H5", 1 }, { "H5", 1 } }, // Single Bonds { { "C1", "O1" }, { "C1", "C2" }, { "C1", "H1" }, { "C1", "H12" }, { "O1", "HO1" }, { "C2", "O2" }, { "C2", "H2" }, { "C2", "H22" }, { "O2", "C3" }, { "C3", "C4" }, { "C3", "H3" }, { "C3", "H32" }, { "C4", "O3" }, { "C4", "H4" }, { "C4", "H42" }, { "O4", "C6" }, { "O4", "HO4" }, { "C6", "C5" }, { "C6", "H6" }, { "C6", "H62" }, { "C5", "O3" }, { "C5", "H5" }, { "C5", "H52" } }, // Double Bonds {}); ResidueData NADData( "NAD", // Atoms { { "PA", 15 }, { "O1A", 8 }, { "O2A", 8 }, { "O5B", 8 }, { "C5B", 6 }, { "C4B", 6 }, { "O4B", 8 }, { "C3B", 6 }, { "O3B", 8 }, { "C2B", 6 }, { "O2B", 8 }, { "C1B", 6 }, { "N9A", 7 }, { "C8A", 6 }, { "N7A", 7 }, { "C5A", 6 }, { "C6A", 6 }, { "N6A", 7 }, { "N1A", 7 }, { "C2A", 6 }, { "N3A", 7 }, { "C4A", 6 }, { "O3", 8 }, { "PN", 15 }, { "O1N", 8 }, { "O2N", 8 }, { "O5D", 8 }, { "C5D", 6 }, { "C4D", 6 }, { "O4D", 8 }, { "C3D", 6 }, { "O3D", 8 }, { "C2D", 6 }, { "O2D", 8 }, { "C1D", 6 }, { "N1N", 7 }, { "C2N", 6 }, { "C3N", 6 }, { "C7N", 6 }, { "O7N", 8 }, { "N7N", 7 }, { "C4N", 6 }, { "C5N", 6 }, { "C6N", 6 }, { "HOA2", 1 }, { "H51A", 1 }, { "H52A", 1 }, { "H4B", 1 }, { "H3B", 1 }, { "HO3A", 1 }, { "H2B", 1 }, { "HO2A", 1 }, { "H1B", 1 }, { "H8A", 1 }, { "H61A", 1 }, { "H62A", 1 }, { "H2A", 1 }, { "H51N", 1 }, { "H52N", 1 }, { "H4D", 1 }, { "H3D", 1 }, { "HO3N", 1 }, { "H2D", 1 }, { "HO2N", 1 }, { "H1D", 1 }, { "H2N", 1 }, { "H71N", 1 }, { "H72N", 1 }, { "H4N", 1 }, { "H5N", 1 }, { "H5N", 1 } }, // Single Bonds { { "PA", "O2A" }, { "PA", "O5B" }, { "PA", "O3" }, { "O2A", "HOA2" }, { "O5B", "C5B" }, { "C5B", "C4B" }, { "C5B", "H51A" }, { "C5B", "H52A" }, { "C4B", "O4B" }, { "C4B", "C3B" }, { "C4B", "H4B" }, { "O4B", "C1B" }, { "C3B", "O3B" }, { "C3B", "C2B" }, { "C3B", "H3B" }, { "O3B", "HO3A" }, { "C2B", "O2B" }, { "C2B", "C1B" }, { "C2B", "H2B" }, { "O2B", "HO2A" }, { "C1B", "N9A" }, { "C1B", "H1B" }, { "N9A", "C8A" }, { "N9A", "C4A" }, { "C8A", "H8A" }, { "N7A", "C5A" }, { "C5A", "C6A" }, { "C6A", "N6A" }, { "N6A", "H61A" }, { "N6A", "H62A" }, { "N1A", "C2A" }, { "C2A", "H2A" }, { "N3A", "C4A" }, { "O3", "PN" }, { "PN", "O2N" }, { "PN", "O5D" }, { "O5D", "C5D" }, { "C5D", "C4D" }, { "C5D", "H51N" }, { "C5D", "H52N" }, { "C4D", "O4D" }, { "C4D", "C3D" }, { "C4D", "H4D" }, { "O4D", "C1D" }, { "C3D", "O3D" }, { "C3D", "C2D" }, { "C3D", "H3D" }, { "O3D", "HO3N" }, { "C2D", "O2D" }, { "C2D", "C1D" }, { "C2D", "H2D" }, { "O2D", "HO2N" }, { "C1D", "N1N" }, { "C1D", "H1D" }, { "N1N", "C2N" }, { "C2N", "H2N" }, { "C3N", "C7N" }, { "C3N", "C4N" }, { "C7N", "N7N" }, { "N7N", "H71N" }, { "N7N", "H72N" }, { "C4N", "H4N" }, { "C5N", "C6N" }, { "C5N", "H5N" }, { "C6N", "H6N" } }, // Double Bonds { { "PA", "O1A" }, { "C8A", "N7A" }, { "C5A", "C4A" }, { "C6A", "N1A" }, { "C2A", "N3A" }, { "PN", "O1N" }, { "N1N", "C6N" }, { "C2N", "C3N" }, { "C7N", "O7N" }, { "C4N", "C5N" } }); ResidueData FUCData( "FUC", // Atoms { { "C1", 6 }, { "C2", 6 }, { "C3", 6 }, { "C4", 6 }, { "C5", 6 }, { "C6", 6 }, { "O1", 8 }, { "O2", 8 }, { "O3", 8 }, { "O4", 8 }, { "O5", 8 }, { "H1", 1 }, { "H2", 1 }, { "H3", 1 }, { "H4", 1 }, { "H5", 1 }, { "H61", 1 }, { "H62", 1 }, { "H63", 1 }, { "HO1", 1 }, { "HO2", 1 }, { "HO3", 1 }, { "HO3", 1 } }, // Single Bonds { { "C1", "C2" }, { "C1", "O1" }, { "C1", "O5" }, { "C1", "H1" }, { "C2", "C3" }, { "C2", "O2" }, { "C2", "H2" }, { "C3", "C4" }, { "C3", "O3" }, { "C3", "H3" }, { "C4", "C5" }, { "C4", "O4" }, { "C4", "H4" }, { "C5", "C6" }, { "C5", "O5" }, { "C5", "H5" }, { "C6", "H61" }, { "C6", "H62" }, { "C6", "H63" }, { "O1", "HO1" }, { "O2", "HO2" }, { "O3", "HO3" }, { "O4", "HO4" } }, // Double Bonds {}); ResidueData NH2Data("NH2", // Atoms { { "N", 7 }, { "HN1", 1 }, { "HN1", 1 } }, // Single Bonds { { "N", "HN1" }, { "N", "HN2" } }, // Double Bonds {}); ResidueData FMTData( "FMT", // Atoms { { "C", 6 }, { "O1", 8 }, { "O2", 8 }, { "H", 1 }, { "H", 1 } }, // Single Bonds { { "C", "O2" }, { "C", "H" }, { "O2", "HO2" } }, // Double Bonds { { "C", "O1" } }); ResidueData NAPData( "NAP", // Atoms { { "PA", 15 }, { "O1A", 8 }, { "O2A", 8 }, { "O5B", 8 }, { "C5B", 6 }, { "C4B", 6 }, { "O4B", 8 }, { "C3B", 6 }, { "O3B", 8 }, { "C2B", 6 }, { "O2B", 8 }, { "C1B", 6 }, { "N9A", 7 }, { "C8A", 6 }, { "N7A", 7 }, { "C5A", 6 }, { "C6A", 6 }, { "N6A", 7 }, { "N1A", 7 }, { "C2A", 6 }, { "N3A", 7 }, { "C4A", 6 }, { "O3", 8 }, { "PN", 15 }, { "O1N", 8 }, { "O2N", 8 }, { "O5D", 8 }, { "C5D", 6 }, { "C4D", 6 }, { "O4D", 8 }, { "C3D", 6 }, { "O3D", 8 }, { "C2D", 6 }, { "O2D", 8 }, { "C1D", 6 }, { "N1N", 7 }, { "C2N", 6 }, { "C3N", 6 }, { "C7N", 6 }, { "O7N", 8 }, { "N7N", 7 }, { "C4N", 6 }, { "C5N", 6 }, { "C6N", 6 }, { "P2B", 15 }, { "O1X", 8 }, { "O2X", 8 }, { "O3X", 8 }, { "HOA2", 1 }, { "H51A", 1 }, { "H52A", 1 }, { "H4B", 1 }, { "H3B", 1 }, { "HO3A", 1 }, { "H2B", 1 }, { "H1B", 1 }, { "H8A", 1 }, { "H61A", 1 }, { "H62A", 1 }, { "H2A", 1 }, { "H51N", 1 }, { "H52N", 1 }, { "H4D", 1 }, { "H3D", 1 }, { "HO3N", 1 }, { "H2D", 1 }, { "HO2N", 1 }, { "H1D", 1 }, { "H2N", 1 }, { "H71N", 1 }, { "H72N", 1 }, { "H4N", 1 }, { "H5N", 1 }, { "H6N", 1 }, { "HOP2", 1 }, { "HOP2", 1 } }, // Single Bonds { { "PA", "O2A" }, { "PA", "O5B" }, { "PA", "O3" }, { "O2A", "HOA2" }, { "O5B", "C5B" }, { "C5B", "C4B" }, { "C5B", "H51A" }, { "C5B", "H52A" }, { "C4B", "O4B" }, { "C4B", "C3B" }, { "C4B", "H4B" }, { "O4B", "C1B" }, { "C3B", "O3B" }, { "C3B", "C2B" }, { "C3B", "H3B" }, { "O3B", "HO3A" }, { "C2B", "O2B" }, { "C2B", "C1B" }, { "C2B", "H2B" }, { "O2B", "P2B" }, { "C1B", "N9A" }, { "C1B", "H1B" }, { "N9A", "C8A" }, { "N9A", "C4A" }, { "C8A", "H8A" }, { "N7A", "C5A" }, { "C5A", "C6A" }, { "C6A", "N6A" }, { "N6A", "H61A" }, { "N6A", "H62A" }, { "N1A", "C2A" }, { "C2A", "H2A" }, { "N3A", "C4A" }, { "O3", "PN" }, { "PN", "O2N" }, { "PN", "O5D" }, { "O5D", "C5D" }, { "C5D", "C4D" }, { "C5D", "H51N" }, { "C5D", "H52N" }, { "C4D", "O4D" }, { "C4D", "C3D" }, { "C4D", "H4D" }, { "O4D", "C1D" }, { "C3D", "O3D" }, { "C3D", "C2D" }, { "C3D", "H3D" }, { "O3D", "HO3N" }, { "C2D", "O2D" }, { "C2D", "C1D" }, { "C2D", "H2D" }, { "O2D", "HO2N" }, { "C1D", "N1N" }, { "C1D", "H1D" }, { "N1N", "C2N" }, { "C2N", "H2N" }, { "C3N", "C7N" }, { "C3N", "C4N" }, { "C7N", "N7N" }, { "N7N", "H71N" }, { "N7N", "H72N" }, { "C4N", "H4N" }, { "C5N", "C6N" }, { "C5N", "H5N" }, { "C6N", "H6N" }, { "P2B", "O2X" }, { "P2B", "O3X" }, { "O2X", "HOP2" }, { "O3X", "HOP3" } }, // Double Bonds { { "PA", "O1A" }, { "C8A", "N7A" }, { "C5A", "C4A" }, { "C6A", "N1A" }, { "C2A", "N3A" }, { "PN", "O1N" }, { "N1N", "C6N" }, { "C2N", "C3N" }, { "C7N", "O7N" }, { "C4N", "C5N" }, { "P2B", "O1X" } }); ResidueData SEPData("SEP", // Atoms { { "N", 7 }, { "CA", 6 }, { "CB", 6 }, { "OG", 8 }, { "C", 6 }, { "O", 8 }, { "OXT", 8 }, { "P", 15 }, { "O1P", 8 }, { "O2P", 8 }, { "O3P", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HXT", 1 }, { "HOP2", 1 }, { "HOP2", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "CB" }, { "CA", "C" }, { "CA", "HA" }, { "CB", "OG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "OG", "P" }, { "C", "OXT" }, { "OXT", "HXT" }, { "P", "O2P" }, { "P", "O3P" }, { "O2P", "HOP2" }, { "O3P", "HOP3" } }, // Double Bonds { { "C", "O" }, { "P", "O1P" } }); ResidueData GDPData( "GDP", // Atoms { { "PB", 15 }, { "O1B", 8 }, { "O2B", 8 }, { "O3B", 8 }, { "O3A", 8 }, { "PA", 15 }, { "O1A", 8 }, { "O2A", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "O6", 8 }, { "N1", 7 }, { "C2", 6 }, { "N2", 7 }, { "N3", 7 }, { "C4", 6 }, { "HOB2", 1 }, { "HOB3", 1 }, { "HOA2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "HN1", 1 }, { "HN21", 1 }, { "HN21", 1 } }, // Single Bonds { { "PB", "O2B" }, { "PB", "O3B" }, { "PB", "O3A" }, { "O2B", "HOB2" }, { "O3B", "HOB3" }, { "O3A", "PA" }, { "PA", "O2A" }, { "PA", "O5'" }, { "O2A", "HOA2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N1" }, { "N1", "C2" }, { "N1", "HN1" }, { "C2", "N2" }, { "N2", "HN21" }, { "N2", "HN22" }, { "N3", "C4" } }, // Double Bonds { { "PB", "O1B" }, { "PA", "O1A" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "O6" }, { "C2", "N3" } }); ResidueData GALData( "GAL", // Atoms { { "C1", 6 }, { "C2", 6 }, { "C3", 6 }, { "C4", 6 }, { "C5", 6 }, { "C6", 6 }, { "O1", 8 }, { "O2", 8 }, { "O3", 8 }, { "O4", 8 }, { "O5", 8 }, { "O6", 8 }, { "H1", 1 }, { "H2", 1 }, { "H3", 1 }, { "H4", 1 }, { "H5", 1 }, { "H61", 1 }, { "H62", 1 }, { "HO1", 1 }, { "HO2", 1 }, { "HO3", 1 }, { "HO4", 1 }, { "HO4", 1 } }, // Single Bonds { { "C1", "C2" }, { "C1", "O1" }, { "C1", "O5" }, { "C1", "H1" }, { "C2", "C3" }, { "C2", "O2" }, { "C2", "H2" }, { "C3", "C4" }, { "C3", "O3" }, { "C3", "H3" }, { "C4", "C5" }, { "C4", "O4" }, { "C4", "H4" }, { "C5", "C6" }, { "C5", "O5" }, { "C5", "H5" }, { "C6", "O6" }, { "C6", "H61" }, { "C6", "H62" }, { "O1", "HO1" }, { "O2", "HO2" }, { "O3", "HO3" }, { "O4", "HO4" }, { "O6", "HO6" } }, // Double Bonds {}); ResidueData SF4Data("SF4", // Atoms { { "FE1", 26 }, { "FE2", 26 }, { "FE3", 26 }, { "FE4", 26 }, { "S1", 16 }, { "S2", 16 }, { "S3", 16 }, { "S3", 16 } }, // Single Bonds { { "FE1", "S2" }, { "FE1", "S3" }, { "FE1", "S4" }, { "FE2", "S1" }, { "FE2", "S3" }, { "FE2", "S4" }, { "FE3", "S1" }, { "FE3", "S2" }, { "FE3", "S4" }, { "FE4", "S1" }, { "FE4", "S2" }, { "FE4", "S3" } }, // Double Bonds {}); ResidueData BGCData( "BGC", // Atoms { { "C2", 6 }, { "C3", 6 }, { "C4", 6 }, { "C5", 6 }, { "C6", 6 }, { "C1", 6 }, { "O1", 8 }, { "O2", 8 }, { "O3", 8 }, { "O4", 8 }, { "O5", 8 }, { "O6", 8 }, { "H2", 1 }, { "H3", 1 }, { "H4", 1 }, { "H5", 1 }, { "H61", 1 }, { "H62", 1 }, { "H1", 1 }, { "HO1", 1 }, { "HO2", 1 }, { "HO3", 1 }, { "HO4", 1 }, { "HO4", 1 } }, // Single Bonds { { "C2", "C3" }, { "C2", "C1" }, { "C2", "O2" }, { "C2", "H2" }, { "C3", "C4" }, { "C3", "O3" }, { "C3", "H3" }, { "C4", "C5" }, { "C4", "O4" }, { "C4", "H4" }, { "C5", "C6" }, { "C5", "O5" }, { "C5", "H5" }, { "C6", "O6" }, { "C6", "H61" }, { "C6", "H62" }, { "C1", "O1" }, { "C1", "O5" }, { "C1", "H1" }, { "O1", "HO1" }, { "O2", "HO2" }, { "O3", "HO3" }, { "O4", "HO4" }, { "O6", "HO6" } }, // Double Bonds {}); ResidueData FMNData( "FMN", // Atoms { { "N1", 7 }, { "C2", 6 }, { "O2", 8 }, { "N3", 7 }, { "C4", 6 }, { "O4", 8 }, { "C4A", 6 }, { "N5", 7 }, { "C5A", 6 }, { "C6", 6 }, { "C7", 6 }, { "C7M", 6 }, { "C8", 6 }, { "C8M", 6 }, { "C9", 6 }, { "C9A", 6 }, { "N10", 7 }, { "C10", 6 }, { "C1'", 6 }, { "C2'", 6 }, { "O2'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C4'", 6 }, { "O4'", 8 }, { "C5'", 6 }, { "O5'", 8 }, { "P", 15 }, { "O1P", 8 }, { "O2P", 8 }, { "O3P", 8 }, { "HN3", 1 }, { "H6", 1 }, { "HM71", 1 }, { "HM72", 1 }, { "HM73", 1 }, { "HM81", 1 }, { "HM82", 1 }, { "HM83", 1 }, { "H9", 1 }, { "H1'1", 1 }, { "H1'2", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H4'", 1 }, { "HO4'", 1 }, { "H5'1", 1 }, { "H5'2", 1 }, { "HOP2", 1 }, { "HOP2", 1 } }, // Single Bonds { { "N1", "C2" }, { "C2", "N3" }, { "N3", "C4" }, { "N3", "HN3" }, { "C4", "C4A" }, { "C4A", "C10" }, { "N5", "C5A" }, { "C5A", "C9A" }, { "C6", "C7" }, { "C6", "H6" }, { "C7", "C7M" }, { "C7M", "HM71" }, { "C7M", "HM72" }, { "C7M", "HM73" }, { "C8", "C8M" }, { "C8", "C9" }, { "C8M", "HM81" }, { "C8M", "HM82" }, { "C8M", "HM83" }, { "C9", "H9" }, { "C9A", "N10" }, { "N10", "C10" }, { "N10", "C1'" }, { "C1'", "C2'" }, { "C1'", "H1'1" }, { "C1'", "H1'2" }, { "C2'", "O2'" }, { "C2'", "C3'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C3'", "O3'" }, { "C3'", "C4'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C4'", "O4'" }, { "C4'", "C5'" }, { "C4'", "H4'" }, { "O4'", "HO4'" }, { "C5'", "O5'" }, { "C5'", "H5'1" }, { "C5'", "H5'2" }, { "O5'", "P" }, { "P", "O2P" }, { "P", "O3P" }, { "O2P", "HOP2" }, { "O3P", "HOP3" } }, // Double Bonds { { "N1", "C10" }, { "C2", "O2" }, { "C4", "O4" }, { "C4A", "N5" }, { "C5A", "C6" }, { "C7", "C8" }, { "C9", "C9A" }, { "P", "O1P" } }); ResidueData UNKData("UNK", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "CB", 6 }, { "CG", 6 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB1", 1 }, { "HB2", 1 }, { "HG1", 1 }, { "HG2", 1 }, { "HG3", 1 }, { "HG3", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB1" }, { "CB", "HB2" }, { "CG", "HG1" }, { "CG", "HG2" }, { "CG", "HG3" }, { "OXT", "HXT" } }, // Double Bonds { { "C", "O" } }); ResidueData CITData("CIT", // Atoms { { "C1", 6 }, { "O1", 8 }, { "O2", 8 }, { "C2", 6 }, { "C3", 6 }, { "O7", 8 }, { "C4", 6 }, { "C5", 6 }, { "O3", 8 }, { "O4", 8 }, { "C6", 6 }, { "O5", 8 }, { "O6", 8 }, { "HO2", 1 }, { "H21", 1 }, { "H22", 1 }, { "HO7", 1 }, { "H41", 1 }, { "H42", 1 }, { "HO4", 1 }, { "HO4", 1 } }, // Single Bonds { { "C1", "O2" }, { "C1", "C2" }, { "O2", "HO2" }, { "C2", "C3" }, { "C2", "H21" }, { "C2", "H22" }, { "C3", "O7" }, { "C3", "C4" }, { "C3", "C6" }, { "O7", "HO7" }, { "C4", "C5" }, { "C4", "H41" }, { "C4", "H42" }, { "C5", "O4" }, { "O4", "HO4" }, { "C6", "O6" }, { "O6", "HO6" } }, // Double Bonds { { "C1", "O1" }, { "C5", "O3" }, { "C6", "O5" } }); ResidueData EPEData( "EPE", // Atoms { { "N1", 7 }, { "C2", 6 }, { "C3", 6 }, { "N4", 7 }, { "C5", 6 }, { "C6", 6 }, { "C7", 6 }, { "C8", 6 }, { "O8", 8 }, { "C9", 6 }, { "C10", 6 }, { "S", 16 }, { "O1S", 8 }, { "O2S", 8 }, { "O3S", 8 }, { "H21", 1 }, { "H22", 1 }, { "H31", 1 }, { "H32", 1 }, { "H51", 1 }, { "H52", 1 }, { "H61", 1 }, { "H62", 1 }, { "H71", 1 }, { "H72", 1 }, { "H81", 1 }, { "H82", 1 }, { "HO8", 1 }, { "H91", 1 }, { "H92", 1 }, { "H101", 1 }, { "H102", 1 }, { "H102", 1 } }, // Single Bonds { { "N1", "C2" }, { "N1", "C6" }, { "N1", "C9" }, { "C2", "C3" }, { "C2", "H21" }, { "C2", "H22" }, { "C3", "N4" }, { "C3", "H31" }, { "C3", "H32" }, { "N4", "C5" }, { "N4", "C7" }, { "C5", "C6" }, { "C5", "H51" }, { "C5", "H52" }, { "C6", "H61" }, { "C6", "H62" }, { "C7", "C8" }, { "C7", "H71" }, { "C7", "H72" }, { "C8", "O8" }, { "C8", "H81" }, { "C8", "H82" }, { "O8", "HO8" }, { "C9", "C10" }, { "C9", "H91" }, { "C9", "H92" }, { "C10", "S" }, { "C10", "H101" }, { "C10", "H102" }, { "S", "O3S" }, { "O3S", "HOS3" } }, // Double Bonds { { "S", "O1S" }, { "S", "O2S" } }); ResidueData TPOData( "TPO", // Atoms { { "N", 7 }, { "CA", 6 }, { "CB", 6 }, { "CG2", 6 }, { "OG1", 8 }, { "P", 15 }, { "O1P", 8 }, { "O2P", 8 }, { "O3P", 8 }, { "C", 6 }, { "O", 8 }, { "OXT", 8 }, { "H", 1 }, { "H2", 1 }, { "HA", 1 }, { "HB", 1 }, { "HG21", 1 }, { "HG22", 1 }, { "HG23", 1 }, { "HOP2", 1 }, { "HOP3", 1 }, { "HOP3", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "H2" }, { "CA", "CB" }, { "CA", "C" }, { "CA", "HA" }, { "CB", "CG2" }, { "CB", "OG1" }, { "CB", "HB" }, { "CG2", "HG21" }, { "CG2", "HG22" }, { "CG2", "HG23" }, { "OG1", "P" }, { "P", "O2P" }, { "P", "O3P" }, { "O2P", "HOP2" }, { "O3P", "HOP3" }, { "C", "OXT" }, { "OXT", "HXT" } }, // Double Bonds { { "P", "O1P" }, { "C", "O" } }); ResidueData PLPData( "PLP", // Atoms { { "N1", 7 }, { "C2", 6 }, { "C2A", 6 }, { "C3", 6 }, { "O3", 8 }, { "C4", 6 }, { "C4A", 6 }, { "O4A", 8 }, { "C5", 6 }, { "C6", 6 }, { "C5A", 6 }, { "O4P", 8 }, { "P", 15 }, { "O1P", 8 }, { "O2P", 8 }, { "O3P", 8 }, { "H2A1", 1 }, { "H2A2", 1 }, { "H2A3", 1 }, { "HO3", 1 }, { "H4A", 1 }, { "H6", 1 }, { "H5A1", 1 }, { "H5A2", 1 }, { "HOP2", 1 }, { "HOP2", 1 } }, // Single Bonds { { "N1", "C6" }, { "C2", "C2A" }, { "C2", "C3" }, { "C2A", "H2A1" }, { "C2A", "H2A2" }, { "C2A", "H2A3" }, { "C3", "O3" }, { "O3", "HO3" }, { "C4", "C4A" }, { "C4", "C5" }, { "C4A", "H4A" }, { "C5", "C5A" }, { "C6", "H6" }, { "C5A", "O4P" }, { "C5A", "H5A1" }, { "C5A", "H5A2" }, { "O4P", "P" }, { "P", "O2P" }, { "P", "O3P" }, { "O2P", "HOP2" }, { "O3P", "HOP3" } }, // Double Bonds { { "N1", "C2" }, { "C3", "C4" }, { "C4A", "O4A" }, { "C5", "C6" }, { "P", "O1P" } }); ResidueData GTPData( "GTP", // Atoms { { "PG", 15 }, { "O1G", 8 }, { "O2G", 8 }, { "O3G", 8 }, { "O3B", 8 }, { "PB", 15 }, { "O1B", 8 }, { "O2B", 8 }, { "O3A", 8 }, { "PA", 15 }, { "O1A", 8 }, { "O2A", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "O6", 8 }, { "N1", 7 }, { "C2", 6 }, { "N2", 7 }, { "N3", 7 }, { "C4", 6 }, { "HOG2", 1 }, { "HOG3", 1 }, { "HOB2", 1 }, { "HOA2", 1 }, { "H5'", 1 }, { "H5''", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "HN1", 1 }, { "HN21", 1 }, { "HN21", 1 } }, // Single Bonds { { "PG", "O2G" }, { "PG", "O3G" }, { "PG", "O3B" }, { "O2G", "HOG2" }, { "O3G", "HOG3" }, { "O3B", "PB" }, { "PB", "O2B" }, { "PB", "O3A" }, { "O2B", "HOB2" }, { "O3A", "PA" }, { "PA", "O2A" }, { "PA", "O5'" }, { "O2A", "HOA2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'" }, { "C5'", "H5''" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N1" }, { "N1", "C2" }, { "N1", "HN1" }, { "C2", "N2" }, { "N2", "HN21" }, { "N2", "HN22" }, { "N3", "C4" } }, // Double Bonds { { "PG", "O1G" }, { "PB", "O1B" }, { "PA", "O1A" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "O6" }, { "C2", "N3" } }); ResidueData SAHData( "SAH", // Atoms { { "N", 7 }, { "CA", 6 }, { "CB", 6 }, { "CG", 6 }, { "SD", 16 }, { "C", 6 }, { "O", 8 }, { "OXT", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "N6", 7 }, { "N1", 7 }, { "C2", 6 }, { "N3", 7 }, { "C4", 6 }, { "HN1", 1 }, { "HN2", 1 }, { "HA", 1 }, { "HB1", 1 }, { "HB2", 1 }, { "HG1", 1 }, { "HG2", 1 }, { "HXT", 1 }, { "H5'1", 1 }, { "H5'2", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "HN61", 1 }, { "HN62", 1 }, { "HN62", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "HN1" }, { "N", "HN2" }, { "CA", "CB" }, { "CA", "C" }, { "CA", "HA" }, { "CB", "CG" }, { "CB", "HB1" }, { "CB", "HB2" }, { "CG", "SD" }, { "CG", "HG1" }, { "CG", "HG2" }, { "SD", "C5'" }, { "C", "OXT" }, { "OXT", "HXT" }, { "C5'", "C4'" }, { "C5'", "H5'1" }, { "C5'", "H5'2" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N6" }, { "N6", "HN61" }, { "N6", "HN62" }, { "N1", "C2" }, { "C2", "H2" }, { "N3", "C4" } }, // Double Bonds { { "C", "O" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "N1" }, { "C2", "N3" } }); ResidueData BMEData("BME", // Atoms { { "C1", 6 }, { "C2", 6 }, { "O1", 8 }, { "S2", 16 }, { "H11", 1 }, { "H12", 1 }, { "H21", 1 }, { "H22", 1 }, { "HO1", 1 }, { "HO1", 1 } }, // Single Bonds { { "C1", "C2" }, { "C1", "O1" }, { "C1", "H11" }, { "C1", "H12" }, { "C2", "S2" }, { "C2", "H21" }, { "C2", "H22" }, { "O1", "HO1" }, { "S2", "HS2" } }, // Double Bonds {}); ResidueData ACYData("ACY", // Atoms { { "C", 6 }, { "O", 8 }, { "OXT", 8 }, { "CH3", 6 }, { "HXT", 1 }, { "H1", 1 }, { "H2", 1 }, { "H2", 1 } }, // Single Bonds { { "C", "OXT" }, { "C", "CH3" }, { "OXT", "HXT" }, { "CH3", "H1" }, { "CH3", "H2" }, { "CH3", "H3" } }, // Double Bonds { { "C", "O" } }); ResidueData ANPData( "ANP", // Atoms { { "PG", 15 }, { "O1G", 8 }, { "O2G", 8 }, { "O3G", 8 }, { "PB", 15 }, { "O1B", 8 }, { "O2B", 8 }, { "N3B", 7 }, { "PA", 15 }, { "O1A", 8 }, { "O2A", 8 }, { "O3A", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "N6", 7 }, { "N1", 7 }, { "C2", 6 }, { "N3", 7 }, { "C4", 6 }, { "HOG2", 1 }, { "HOG3", 1 }, { "HOB2", 1 }, { "HNB1", 1 }, { "HOA2", 1 }, { "H5'1", 1 }, { "H5'2", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "HN61", 1 }, { "HN62", 1 }, { "HN62", 1 } }, // Single Bonds { { "PG", "O2G" }, { "PG", "O3G" }, { "PG", "N3B" }, { "O2G", "HOG2" }, { "O3G", "HOG3" }, { "PB", "O2B" }, { "PB", "N3B" }, { "PB", "O3A" }, { "O2B", "HOB2" }, { "N3B", "HNB1" }, { "PA", "O2A" }, { "PA", "O3A" }, { "PA", "O5'" }, { "O2A", "HOA2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'1" }, { "C5'", "H5'2" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N6" }, { "N6", "HN61" }, { "N6", "HN62" }, { "N1", "C2" }, { "C2", "H2" }, { "N3", "C4" } }, // Double Bonds { { "PG", "O1G" }, { "PB", "O1B" }, { "PA", "O1A" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "N1" }, { "C2", "N3" } }); ResidueData IMDData("IMD", // Atoms { { "N1", 7 }, { "C2", 6 }, { "N3", 7 }, { "C4", 6 }, { "C5", 6 }, { "HN1", 1 }, { "H2", 1 }, { "HN3", 1 }, { "H4", 1 }, { "H4", 1 } }, // Single Bonds { { "N1", "C2" }, { "N1", "C5" }, { "N1", "HN1" }, { "C2", "H2" }, { "N3", "C4" }, { "N3", "HN3" }, { "C4", "H4" }, { "C5", "H5" } }, // Double Bonds { { "C2", "N3" }, { "C4", "C5" } }); ResidueData PCAData("PCA", // Atoms { { "N", 7 }, { "CA", 6 }, { "CB", 6 }, { "CG", 6 }, { "CD", 6 }, { "OE", 8 }, { "C", 6 }, { "O", 8 }, { "OXT", 8 }, { "H", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG2", 1 }, { "HG3", 1 }, { "HG3", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "CD" }, { "N", "H" }, { "CA", "CB" }, { "CA", "C" }, { "CA", "HA" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD" }, { "CG", "HG2" }, { "CG", "HG3" }, { "C", "OXT" }, { "OXT", "HXT" } }, // Double Bonds { { "CD", "OE" }, { "C", "O" } }); ResidueData CSOData("CSO", // Atoms { { "N", 7 }, { "CA", 6 }, { "CB", 6 }, { "SG", 16 }, { "C", 6 }, { "O", 8 }, { "OXT", 8 }, { "OD", 8 }, { "H", 1 }, { "HN2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HXT", 1 }, { "HXT", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "HN2" }, { "CA", "CB" }, { "CA", "C" }, { "CA", "HA" }, { "CB", "SG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "SG", "OD" }, { "C", "OXT" }, { "OXT", "HXT" }, { "OD", "HD" } }, // Double Bonds { { "C", "O" } }); ResidueData MLIData("MLI", // Atoms { { "C1", 6 }, { "C2", 6 }, { "C3", 6 }, { "O6", 8 }, { "O7", 8 }, { "O8", 8 }, { "O9", 8 }, { "H11", 1 }, { "H11", 1 } }, // Single Bonds { { "C1", "C2" }, { "C1", "C3" }, { "C1", "H11" }, { "C1", "H12" }, { "C2", "O7" }, { "C3", "O9" } }, // Double Bonds { { "C2", "O6" }, { "C3", "O8" } }); ResidueData FESData( "FES", // Atoms { { "FE1", 26 }, { "FE2", 26 }, { "S1", 16 }, { "S1", 16 } }, // Single Bonds { { "FE1", "S1" }, { "FE1", "S2" }, { "FE2", "S1" }, { "FE2", "S2" } }, // Double Bonds {}); ResidueData NDPData( "NDP", // Atoms { { "PA", 15 }, { "O1A", 8 }, { "O2A", 8 }, { "O5B", 8 }, { "C5B", 6 }, { "C4B", 6 }, { "O4B", 8 }, { "C3B", 6 }, { "O3B", 8 }, { "C2B", 6 }, { "O2B", 8 }, { "C1B", 6 }, { "N9A", 7 }, { "C8A", 6 }, { "N7A", 7 }, { "C5A", 6 }, { "C6A", 6 }, { "N6A", 7 }, { "N1A", 7 }, { "C2A", 6 }, { "N3A", 7 }, { "C4A", 6 }, { "O3", 8 }, { "PN", 15 }, { "O1N", 8 }, { "O2N", 8 }, { "O5D", 8 }, { "C5D", 6 }, { "C4D", 6 }, { "O4D", 8 }, { "C3D", 6 }, { "O3D", 8 }, { "C2D", 6 }, { "O2D", 8 }, { "C1D", 6 }, { "N1N", 7 }, { "C2N", 6 }, { "C3N", 6 }, { "C7N", 6 }, { "O7N", 8 }, { "N7N", 7 }, { "C4N", 6 }, { "C5N", 6 }, { "C6N", 6 }, { "P2B", 15 }, { "O1X", 8 }, { "O2X", 8 }, { "O3X", 8 }, { "HOA2", 1 }, { "H51A", 1 }, { "H52A", 1 }, { "H4B", 1 }, { "H3B", 1 }, { "HO3A", 1 }, { "H2B", 1 }, { "H1B", 1 }, { "H8A", 1 }, { "H61A", 1 }, { "H62A", 1 }, { "H2A", 1 }, { "H21N", 1 }, { "H51N", 1 }, { "H52N", 1 }, { "H4D", 1 }, { "H3D", 1 }, { "HO3N", 1 }, { "H2D", 1 }, { "HO2N", 1 }, { "H1D", 1 }, { "H2N", 1 }, { "H71N", 1 }, { "H72N", 1 }, { "H41N", 1 }, { "H42N", 1 }, { "H5N", 1 }, { "H6N", 1 }, { "HOP2", 1 }, { "HOP2", 1 } }, // Single Bonds { { "PA", "O2A" }, { "PA", "O5B" }, { "PA", "O3" }, { "O2A", "HOA2" }, { "O5B", "C5B" }, { "C5B", "C4B" }, { "C5B", "H51A" }, { "C5B", "H52A" }, { "C4B", "O4B" }, { "C4B", "C3B" }, { "C4B", "H4B" }, { "O4B", "C1B" }, { "C3B", "O3B" }, { "C3B", "C2B" }, { "C3B", "H3B" }, { "O3B", "HO3A" }, { "C2B", "O2B" }, { "C2B", "C1B" }, { "C2B", "H2B" }, { "O2B", "P2B" }, { "C1B", "N9A" }, { "C1B", "H1B" }, { "N9A", "C8A" }, { "N9A", "C4A" }, { "C8A", "H8A" }, { "N7A", "C5A" }, { "C5A", "C6A" }, { "C6A", "N6A" }, { "N6A", "H61A" }, { "N6A", "H62A" }, { "N1A", "C2A" }, { "C2A", "H2A" }, { "N3A", "C4A" }, { "O3", "PN" }, { "PN", "O2N" }, { "PN", "O5D" }, { "O2N", "H21N" }, { "O5D", "C5D" }, { "C5D", "C4D" }, { "C5D", "H51N" }, { "C5D", "H52N" }, { "C4D", "O4D" }, { "C4D", "C3D" }, { "C4D", "H4D" }, { "O4D", "C1D" }, { "C3D", "O3D" }, { "C3D", "C2D" }, { "C3D", "H3D" }, { "O3D", "HO3N" }, { "C2D", "O2D" }, { "C2D", "C1D" }, { "C2D", "H2D" }, { "O2D", "HO2N" }, { "C1D", "N1N" }, { "C1D", "H1D" }, { "N1N", "C2N" }, { "N1N", "C6N" }, { "C2N", "H2N" }, { "C3N", "C7N" }, { "C3N", "C4N" }, { "C7N", "N7N" }, { "N7N", "H71N" }, { "N7N", "H72N" }, { "C4N", "C5N" }, { "C4N", "H41N" }, { "C4N", "H42N" }, { "C5N", "H5N" }, { "C6N", "H6N" }, { "P2B", "O2X" }, { "P2B", "O3X" }, { "O2X", "HOP2" }, { "O3X", "HOP3" } }, // Double Bonds { { "PA", "O1A" }, { "C8A", "N7A" }, { "C5A", "C4A" }, { "C6A", "N1A" }, { "C2A", "N3A" }, { "PN", "O1N" }, { "C2N", "C3N" }, { "C7N", "O7N" }, { "C5N", "C6N" }, { "P2B", "O1X" } }); ResidueData AMPData( "AMP", // Atoms { { "P", 15 }, { "O1P", 8 }, { "O2P", 8 }, { "O3P", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "N6", 7 }, { "N1", 7 }, { "C2", 6 }, { "N3", 7 }, { "C4", 6 }, { "HOP2", 1 }, { "HOP3", 1 }, { "H5'1", 1 }, { "H5'2", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "HN61", 1 }, { "HN62", 1 }, { "HN62", 1 } }, // Single Bonds { { "P", "O2P" }, { "P", "O3P" }, { "P", "O5'" }, { "O2P", "HOP2" }, { "O3P", "HOP3" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'1" }, { "C5'", "H5'2" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N6" }, { "N6", "HN61" }, { "N6", "HN62" }, { "N1", "C2" }, { "C2", "H2" }, { "N3", "C4" } }, // Double Bonds { { "P", "O1P" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "N1" }, { "C2", "N3" } }); ResidueData NO3Data("NO3", // Atoms { { "N", 7 }, { "O1", 8 }, { "O2", 8 }, { "O2", 8 } }, // Single Bonds { { "N", "O2" }, { "N", "O3" } }, // Double Bonds { { "N", "O1" } }); ResidueData PTRData( "PTR", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "OXT", 8 }, { "CB", 6 }, { "CG", 6 }, { "CD1", 6 }, { "CD2", 6 }, { "CE1", 6 }, { "CE2", 6 }, { "CZ", 6 }, { "OH", 8 }, { "P", 15 }, { "O1P", 8 }, { "O2P", 8 }, { "O3P", 8 }, { "H", 1 }, { "HN2", 1 }, { "HA", 1 }, { "HXT", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HD1", 1 }, { "HD2", 1 }, { "HE1", 1 }, { "HE2", 1 }, { "HO2P", 1 }, { "HO2P", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "HN2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "OXT", "HXT" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD2" }, { "CD1", "CE1" }, { "CD1", "HD1" }, { "CD2", "HD2" }, { "CE1", "HE1" }, { "CE2", "CZ" }, { "CE2", "HE2" }, { "CZ", "OH" }, { "OH", "P" }, { "P", "O2P" }, { "P", "O3P" }, { "O2P", "HO2P" }, { "O3P", "HO3P" } }, // Double Bonds { { "C", "O" }, { "CG", "CD1" }, { "CD2", "CE2" }, { "CE1", "CZ" }, { "P", "O1P" } }); ResidueData IPAData("IPA", // Atoms { { "C1", 6 }, { "C2", 6 }, { "C3", 6 }, { "O2", 8 }, { "H11", 1 }, { "H12", 1 }, { "H13", 1 }, { "H2", 1 }, { "H31", 1 }, { "H32", 1 }, { "H33", 1 }, { "H33", 1 } }, // Single Bonds { { "C1", "C2" }, { "C1", "H11" }, { "C1", "H12" }, { "C1", "H13" }, { "C2", "C3" }, { "C2", "O2" }, { "C2", "H2" }, { "C3", "H31" }, { "C3", "H32" }, { "C3", "H33" }, { "O2", "HO2" } }, // Double Bonds {}); ResidueData COAData( "COA", // Atoms { { "N1A", 7 }, { "C2A", 6 }, { "N3A", 7 }, { "C4A", 6 }, { "C5A", 6 }, { "C6A", 6 }, { "N6A", 7 }, { "N7A", 7 }, { "C8A", 6 }, { "N9A", 7 }, { "C1B", 6 }, { "C2B", 6 }, { "O2B", 8 }, { "C3B", 6 }, { "O3B", 8 }, { "P3B", 15 }, { "O7A", 8 }, { "O8A", 8 }, { "O9A", 8 }, { "C4B", 6 }, { "O4B", 8 }, { "C5B", 6 }, { "O5B", 8 }, { "P1A", 15 }, { "O1A", 8 }, { "O2A", 8 }, { "O3A", 8 }, { "P2A", 15 }, { "O4A", 8 }, { "O5A", 8 }, { "O6A", 8 }, { "CBP", 6 }, { "CCP", 6 }, { "CDP", 6 }, { "CEP", 6 }, { "CAP", 6 }, { "OAP", 8 }, { "C9P", 6 }, { "O9P", 8 }, { "N8P", 7 }, { "C7P", 6 }, { "C6P", 6 }, { "C5P", 6 }, { "O5P", 8 }, { "N4P", 7 }, { "C3P", 6 }, { "C2P", 6 }, { "S1P", 16 }, { "H2A", 1 }, { "H61A", 1 }, { "H62A", 1 }, { "H8A", 1 }, { "H1B", 1 }, { "H2B", 1 }, { "HO2A", 1 }, { "H3B", 1 }, { "HOA8", 1 }, { "HOA9", 1 }, { "H4B", 1 }, { "H51A", 1 }, { "H52A", 1 }, { "HOA2", 1 }, { "HOA5", 1 }, { "H121", 1 }, { "H122", 1 }, { "H131", 1 }, { "H132", 1 }, { "H133", 1 }, { "H141", 1 }, { "H142", 1 }, { "H143", 1 }, { "H10", 1 }, { "HO1", 1 }, { "HN8", 1 }, { "H71", 1 }, { "H72", 1 }, { "H61", 1 }, { "H62", 1 }, { "HN4", 1 }, { "H31", 1 }, { "H32", 1 }, { "H21", 1 }, { "H22", 1 }, { "H22", 1 } }, // Single Bonds { { "N1A", "C2A" }, { "C2A", "H2A" }, { "N3A", "C4A" }, { "C4A", "N9A" }, { "C5A", "C6A" }, { "C5A", "N7A" }, { "C6A", "N6A" }, { "N6A", "H61A" }, { "N6A", "H62A" }, { "C8A", "N9A" }, { "C8A", "H8A" }, { "N9A", "C1B" }, { "C1B", "C2B" }, { "C1B", "O4B" }, { "C1B", "H1B" }, { "C2B", "O2B" }, { "C2B", "C3B" }, { "C2B", "H2B" }, { "O2B", "HO2A" }, { "C3B", "O3B" }, { "C3B", "C4B" }, { "C3B", "H3B" }, { "O3B", "P3B" }, { "P3B", "O8A" }, { "P3B", "O9A" }, { "O8A", "HOA8" }, { "O9A", "HOA9" }, { "C4B", "O4B" }, { "C4B", "C5B" }, { "C4B", "H4B" }, { "C5B", "O5B" }, { "C5B", "H51A" }, { "C5B", "H52A" }, { "O5B", "P1A" }, { "P1A", "O2A" }, { "P1A", "O3A" }, { "O2A", "HOA2" }, { "O3A", "P2A" }, { "P2A", "O5A" }, { "P2A", "O6A" }, { "O5A", "HOA5" }, { "O6A", "CCP" }, { "CBP", "CCP" }, { "CBP", "CDP" }, { "CBP", "CEP" }, { "CBP", "CAP" }, { "CCP", "H121" }, { "CCP", "H122" }, { "CDP", "H131" }, { "CDP", "H132" }, { "CDP", "H133" }, { "CEP", "H141" }, { "CEP", "H142" }, { "CEP", "H143" }, { "CAP", "OAP" }, { "CAP", "C9P" }, { "CAP", "H10" }, { "OAP", "HO1" }, { "C9P", "N8P" }, { "N8P", "C7P" }, { "N8P", "HN8" }, { "C7P", "C6P" }, { "C7P", "H71" }, { "C7P", "H72" }, { "C6P", "C5P" }, { "C6P", "H61" }, { "C6P", "H62" }, { "C5P", "N4P" }, { "N4P", "C3P" }, { "N4P", "HN4" }, { "C3P", "C2P" }, { "C3P", "H31" }, { "C3P", "H32" }, { "C2P", "S1P" }, { "C2P", "H21" }, { "C2P", "H22" }, { "S1P", "HS1" } }, // Double Bonds { { "N1A", "C6A" }, { "C2A", "N3A" }, { "C4A", "C5A" }, { "N7A", "C8A" }, { "P3B", "O7A" }, { "P1A", "O1A" }, { "P2A", "O4A" }, { "C9P", "O9P" }, { "C5P", "O5P" } }); ResidueData KCXData( "KCX", // Atoms { { "N", 7 }, { "CA", 6 }, { "CB", 6 }, { "CG", 6 }, { "CD", 6 }, { "CE", 6 }, { "NZ", 7 }, { "C", 6 }, { "O", 8 }, { "CX", 6 }, { "OXT", 8 }, { "OQ1", 8 }, { "OQ2", 8 }, { "H", 1 }, { "HN2", 1 }, { "HA", 1 }, { "HB2", 1 }, { "HB3", 1 }, { "HG2", 1 }, { "HG3", 1 }, { "HD2", 1 }, { "HD3", 1 }, { "HE2", 1 }, { "HE3", 1 }, { "HZ", 1 }, { "HXT", 1 }, { "HXT", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "H" }, { "N", "HN2" }, { "CA", "CB" }, { "CA", "C" }, { "CA", "HA" }, { "CB", "CG" }, { "CB", "HB2" }, { "CB", "HB3" }, { "CG", "CD" }, { "CG", "HG2" }, { "CG", "HG3" }, { "CD", "CE" }, { "CD", "HD2" }, { "CD", "HD3" }, { "CE", "NZ" }, { "CE", "HE2" }, { "CE", "HE3" }, { "NZ", "CX" }, { "NZ", "HZ" }, { "C", "OXT" }, { "CX", "OQ2" }, { "OXT", "HXT" }, { "OQ2", "HQ2" } }, // Double Bonds { { "C", "O" }, { "CX", "OQ1" } }); ResidueData H4BData( "H4B", // Atoms { { "N1", 7 }, { "C2", 6 }, { "N2", 7 }, { "N3", 7 }, { "C4", 6 }, { "O4", 8 }, { "C4A", 6 }, { "C8A", 6 }, { "N5", 7 }, { "N8", 7 }, { "C6", 6 }, { "C7", 6 }, { "C9", 6 }, { "O9", 8 }, { "C10", 6 }, { "C11", 6 }, { "O10", 8 }, { "HN21", 1 }, { "HN22", 1 }, { "HN3", 1 }, { "HN5", 1 }, { "HN8", 1 }, { "H6", 1 }, { "H71", 1 }, { "H72", 1 }, { "H9", 1 }, { "HO9", 1 }, { "H10", 1 }, { "H111", 1 }, { "H112", 1 }, { "H113", 1 }, { "H113", 1 } }, // Single Bonds { { "N1", "C8A" }, { "C2", "N2" }, { "C2", "N3" }, { "N2", "HN21" }, { "N2", "HN22" }, { "N3", "C4" }, { "N3", "HN3" }, { "C4", "C4A" }, { "C4A", "N5" }, { "C8A", "N8" }, { "N5", "C6" }, { "N5", "HN5" }, { "N8", "C7" }, { "N8", "HN8" }, { "C6", "C7" }, { "C6", "C9" }, { "C6", "H6" }, { "C7", "H71" }, { "C7", "H72" }, { "C9", "O9" }, { "C9", "C10" }, { "C9", "H9" }, { "O9", "HO9" }, { "C10", "C11" }, { "C10", "O10" }, { "C10", "H10" }, { "C11", "H111" }, { "C11", "H112" }, { "C11", "H113" }, { "O10", "HO0" } }, // Double Bonds { { "N1", "C2" }, { "C4", "O4" }, { "C4A", "C8A" } }); ResidueData SAMData( "SAM", // Atoms { { "N", 7 }, { "CA", 6 }, { "C", 6 }, { "O", 8 }, { "OXT", 8 }, { "CB", 6 }, { "CG", 6 }, { "SD", 16 }, { "CE", 6 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "N6", 7 }, { "N1", 7 }, { "C2", 6 }, { "N3", 7 }, { "C4", 6 }, { "HN1", 1 }, { "HN2", 1 }, { "HA", 1 }, { "HB1", 1 }, { "HB2", 1 }, { "HG1", 1 }, { "HG2", 1 }, { "HE1", 1 }, { "HE2", 1 }, { "HE3", 1 }, { "H5'1", 1 }, { "H5'2", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "HN61", 1 }, { "HN62", 1 }, { "HN62", 1 } }, // Single Bonds { { "N", "CA" }, { "N", "HN1" }, { "N", "HN2" }, { "CA", "C" }, { "CA", "CB" }, { "CA", "HA" }, { "C", "OXT" }, { "CB", "CG" }, { "CB", "HB1" }, { "CB", "HB2" }, { "CG", "SD" }, { "CG", "HG1" }, { "CG", "HG2" }, { "SD", "CE" }, { "SD", "C5'" }, { "CE", "HE1" }, { "CE", "HE2" }, { "CE", "HE3" }, { "C5'", "C4'" }, { "C5'", "H5'1" }, { "C5'", "H5'2" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N6" }, { "N6", "HN61" }, { "N6", "HN62" }, { "N1", "C2" }, { "C2", "H2" }, { "N3", "C4" } }, // Double Bonds { { "C", "O" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "N1" }, { "C2", "N3" } }); ResidueData GNPData( "GNP", // Atoms { { "PG", 15 }, { "O1G", 8 }, { "O2G", 8 }, { "O3G", 8 }, { "N3B", 7 }, { "PB", 15 }, { "O1B", 8 }, { "O2B", 8 }, { "O3A", 8 }, { "PA", 15 }, { "O1A", 8 }, { "O2A", 8 }, { "O5'", 8 }, { "C5'", 6 }, { "C4'", 6 }, { "O4'", 8 }, { "C3'", 6 }, { "O3'", 8 }, { "C2'", 6 }, { "O2'", 8 }, { "C1'", 6 }, { "N9", 7 }, { "C8", 6 }, { "N7", 7 }, { "C5", 6 }, { "C6", 6 }, { "O6", 8 }, { "N1", 7 }, { "C2", 6 }, { "N2", 7 }, { "N3", 7 }, { "C4", 6 }, { "HOG2", 1 }, { "HOG3", 1 }, { "HNB3", 1 }, { "HOB2", 1 }, { "HOA2", 1 }, { "H5'2", 1 }, { "H5'1", 1 }, { "H4'", 1 }, { "H3'", 1 }, { "HO3'", 1 }, { "H2'", 1 }, { "HO2'", 1 }, { "H1'", 1 }, { "H8", 1 }, { "HN1", 1 }, { "HN21", 1 }, { "HN21", 1 } }, // Single Bonds { { "PG", "O2G" }, { "PG", "O3G" }, { "PG", "N3B" }, { "O2G", "HOG2" }, { "O3G", "HOG3" }, { "N3B", "PB" }, { "N3B", "HNB3" }, { "PB", "O2B" }, { "PB", "O3A" }, { "O2B", "HOB2" }, { "O3A", "PA" }, { "PA", "O2A" }, { "PA", "O5'" }, { "O2A", "HOA2" }, { "O5'", "C5'" }, { "C5'", "C4'" }, { "C5'", "H5'2" }, { "C5'", "H5'1" }, { "C4'", "O4'" }, { "C4'", "C3'" }, { "C4'", "H4'" }, { "O4'", "C1'" }, { "C3'", "O3'" }, { "C3'", "C2'" }, { "C3'", "H3'" }, { "O3'", "HO3'" }, { "C2'", "O2'" }, { "C2'", "C1'" }, { "C2'", "H2'" }, { "O2'", "HO2'" }, { "C1'", "N9" }, { "C1'", "H1'" }, { "N9", "C8" }, { "N9", "C4" }, { "C8", "H8" }, { "N7", "C5" }, { "C5", "C6" }, { "C6", "N1" }, { "N1", "C2" }, { "N1", "HN1" }, { "C2", "N2" }, { "N2", "HN21" }, { "N2", "HN22" }, { "N3", "C4" } }, // Double Bonds { { "PG", "O1G" }, { "PB", "O1B" }, { "PA", "O1A" }, { "C8", "N7" }, { "C5", "C4" }, { "C6", "O6" }, { "C2", "N3" } }); ResidueData FLCData("FLC", // Atoms { { "CAC", 6 }, { "CA", 6 }, { "CB", 6 }, { "CBC", 6 }, { "CG", 6 }, { "CGC", 6 }, { "OA1", 8 }, { "OA2", 8 }, { "OB1", 8 }, { "OB2", 8 }, { "OG1", 8 }, { "OG2", 8 }, { "OHB", 8 }, { "HA1", 1 }, { "HA2", 1 }, { "HG1", 1 }, { "HG2", 1 }, { "HG2", 1 } }, // Single Bonds { { "CAC", "CA" }, { "CAC", "OA2" }, { "CA", "CB" }, { "CA", "HA1" }, { "CA", "HA2" }, { "CB", "CBC" }, { "CB", "CG" }, { "CB", "OHB" }, { "CBC", "OB2" }, { "CG", "CGC" }, { "CG", "HG1" }, { "CG", "HG2" }, { "CGC", "OG2" }, { "OHB", "HOB" } }, // Double Bonds { { "CAC", "OA1" }, { "CBC", "OB1" }, { "CGC", "OG1" } }); std::map residueDict = { { "ALA", ALAData }, { "CYS", CYSData }, { "ASP", ASPData }, { "GLU", GLUData }, { "PHE", PHEData }, { "GLY", GLYData }, { "HIS", HISData }, { "ILE", ILEData }, { "LYS", LYSData }, { "LEU", LEUData }, { "MET", METData }, { "ASN", ASNData }, { "PRO", PROData }, { "GLN", GLNData }, { "ARG", ARGData }, { "SER", SERData }, { "THR", THRData }, { "VAL", VALData }, { "TRP", TRPData }, { "TYR", TYRData }, { "DA", DAData }, { "DC", DCData }, { "DG", DGData }, { "DT", DTData }, { "DI", DIData }, { "A", AData }, { "C", CData }, { "G", GData }, { "U", UData }, { "I", IData }, { "HEM", HEMData }, { "HOH", HOHData }, { "SO4", SO4Data }, { "GOL", GOLData }, { "EDO", EDOData }, { "MSE", MSEData }, { "NAG", NAGData }, { "PO4", PO4Data }, { "ACT", ACTData }, { "PEG", PEGData }, { "BMA", BMAData }, { "MAN", MANData }, { "DMS", DMSData }, { "ADP", ADPData }, { "FAD", FADData }, { "ACE", ACEData }, { "MPD", MPDData }, { "GLC", GLCData }, { "ATP", ATPData }, { "MES", MESData }, { "TRS", TRSData }, { "PG4", PG4Data }, { "PGE", PGEData }, { "NAD", NADData }, { "FUC", FUCData }, { "NH2", NH2Data }, { "FMT", FMTData }, { "NAP", NAPData }, { "SEP", SEPData }, { "GDP", GDPData }, { "GAL", GALData }, { "SF4", SF4Data }, { "BGC", BGCData }, { "FMN", FMNData }, { "UNK", UNKData }, { "CIT", CITData }, { "EPE", EPEData }, { "TPO", TPOData }, { "PLP", PLPData }, { "GTP", GTPData }, { "SAH", SAHData }, { "BME", BMEData }, { "ACY", ACYData }, { "ANP", ANPData }, { "IMD", IMDData }, { "PCA", PCAData }, { "CSO", CSOData }, { "MLI", MLIData }, { "FES", FESData }, { "NDP", NDPData }, { "AMP", AMPData }, { "NO3", NO3Data }, { "PTR", PTRData }, { "IPA", IPAData }, { "COA", COAData }, { "KCX", KCXData }, { "H4B", H4BData }, { "SAM", SAMData }, { "GNP", GNPData }, { "FLC", FLCData }, }; } // namespace Avogadro::Core #endif avogadrolibs-1.100.0/avogadro/core/ringperceiver.cpp000066400000000000000000000323401474375334400224470ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "ringperceiver.h" #include "molecule.h" #include #include #include #include #include #include namespace Avogadro::Core { namespace { // === DistanceMatrix ====================================================== // class DistanceMatrix { public: // swap function marked friend so it can only be found via Argument Dependent // Lookup (ADL) friend void swap(DistanceMatrix& first, DistanceMatrix& second) { // Enable ADL for the swap using std::swap; swap(first.m_size, second.m_size); swap(first.m_values, second.m_values); } // construction and destruction DistanceMatrix(size_t size); ~DistanceMatrix(); DistanceMatrix(const DistanceMatrix& other); // intentional pass-by-value to leverage previous copy ctor DistanceMatrix& operator=(DistanceMatrix other); // operators size_t operator()(size_t i, size_t j) const; size_t& operator()(size_t i, size_t j); private: size_t m_size; size_t* m_values; }; DistanceMatrix::DistanceMatrix(size_t size) : m_size(size), m_values(new size_t[size * size]) { memset(m_values, 0, size * size * sizeof(size_t)); } DistanceMatrix::DistanceMatrix(const DistanceMatrix& other) : m_size(other.m_size), m_values(other.m_size ? new size_t[other.m_size * other.m_size] : nullptr) { if (m_values) std::copy(other.m_values, other.m_values + (other.m_size * other.m_size), m_values); } DistanceMatrix& DistanceMatrix::operator=(DistanceMatrix other) { // will use friend swap function via Argument Dependent Lookup swap(*this, other); return *this; } DistanceMatrix::~DistanceMatrix() { delete[] m_values; } size_t& DistanceMatrix::operator()(size_t i, size_t j) { return m_values[i * m_size + j]; } // === PidMatrix =========================================================== // // The PidMatrix class implements a path-included distance matrix. class PidMatrix { public: // construction and destruction PidMatrix(size_t size); ~PidMatrix(); // paths std::vector>& paths(size_t i, size_t j); void addPaths(size_t i, size_t j, const std::vector>& paths); std::vector> splice(size_t i, size_t j, size_t k); // operators std::vector>& operator()(size_t i, size_t j); private: size_t m_size; std::vector>* m_values; }; // --- Construction and Destruction ---------------------------------------- // PidMatrix::PidMatrix(size_t size) : m_size(size), m_values(new std::vector>[size * size]) { } PidMatrix::~PidMatrix() { delete[] m_values; } // --- Paths --------------------------------------------------------------- // std::vector>& PidMatrix::paths(size_t i, size_t j) { return m_values[i * m_size + j]; } void PidMatrix::addPaths(size_t i, size_t j, const std::vector>& p) { std::vector>& current = m_values[i * m_size + j]; current.insert(current.end(), p.begin(), p.end()); } std::vector>& PidMatrix::operator()(size_t i, size_t j) { return paths(i, j); } std::vector> PidMatrix::splice(size_t i, size_t j, size_t k) { std::vector> splicedPaths; std::vector> ijPaths = paths(i, j); std::vector> jkPaths = paths(j, k); if (ijPaths.empty() && jkPaths.empty()) { std::vector path; path.push_back(j); splicedPaths.push_back(path); } else if (ijPaths.empty()) { for (auto & jkPath : jkPaths) { std::vector path; path.push_back(j); path.insert(path.end(), jkPath.begin(), jkPath.end()); splicedPaths.push_back(path); } } else if (jkPaths.empty()) { for (auto path : ijPaths) { path.push_back(j); splicedPaths.push_back(path); } } else { for (auto path : ijPaths) { for (auto & jkPath : jkPaths) { path.push_back(j); path.insert(path.end(), jkPath.begin(), jkPath.end()); splicedPaths.push_back(path); } } } return splicedPaths; } // === RingCandidate ======================================================= // class RingCandidate { public: // construction and destruction RingCandidate(size_t n, size_t s, size_t e); // properties size_t size() const; size_t start() const; size_t end() const; // static methods static bool compareSize(const RingCandidate& a, const RingCandidate& b); private: size_t m_size; size_t m_start; size_t m_end; }; // --- Construction and Destruction ---------------------------------------- // RingCandidate::RingCandidate(size_t n, size_t s, size_t e) : m_size(n), m_start(s), m_end(e) { } // --- Properties ---------------------------------------------------------- // size_t RingCandidate::size() const { return m_size; } size_t RingCandidate::start() const { return m_start; } size_t RingCandidate::end() const { return m_end; } // --- Static Methods ------------------------------------------------------ // bool RingCandidate::compareSize(const RingCandidate& a, const RingCandidate& b) { return a.size() < b.size(); } // === Sssr ================================================================ // class Sssr { public: // construction and destruction Sssr() = default; ~Sssr() = default; // properties size_t size() const; bool isEmpty() const; // rings const std::vector>& rings() const; void append(const std::vector& ring); bool isValid(const std::vector& ring) const; bool isUnique(const std::vector& ring) const; private: std::vector> m_rings; }; // --- Properties ---------------------------------------------------------- // size_t Sssr::size() const { return m_rings.size(); } bool Sssr::isEmpty() const { return m_rings.empty(); } // --- Rings --------------------------------------------------------------- // const std::vector>& Sssr::rings() const { return m_rings; } void Sssr::append(const std::vector& ring) { m_rings.push_back(ring); } bool Sssr::isValid(const std::vector& ring) const { // Check for any duplicate atoms. for (size_t i = 0; i < ring.size(); ++i) for (size_t j = i + 1; j < ring.size(); ++j) if (ring[i] == ring[j]) return false; return true; } bool Sssr::isUnique(const std::vector& path) const { // Must be unique if sssr is empty. if (isEmpty()) return true; // Check if a ring with the same atoms is already in the sssr. std::set pathSet; pathSet.insert(path.begin(), path.end()); for (const auto & ring : m_rings) { std::set ringSet; ringSet.insert(ring.begin(), ring.end()); std::vector sortedRing(ring.begin(), ring.end()); std::sort(sortedRing.begin(), sortedRing.end()); std::set intersection; std::set_intersection(pathSet.begin(), pathSet.end(), ringSet.begin(), ringSet.end(), std::inserter(intersection, intersection.begin())); if (intersection.size() == ring.size()) return false; } // Build the set of bonds in the path. std::set> pathBonds; for (size_t i = 0; i < path.size() - 1; i++) { pathBonds.insert(std::make_pair(std::min(path[i], path[i + 1]), std::max(path[i], path[i + 1]))); } pathBonds.insert(std::make_pair(std::min(path.front(), path.back()), std::max(path.front(), path.back()))); // Remove bonds from path bonds that are already in a smaller ring. for (const auto & ring : m_rings) { if (ring.size() >= path.size()) continue; for (size_t i = 0; i < ring.size(); i++) { pathBonds.erase(std::make_pair(std::min(ring[i], ring[i + 1]), std::max(ring[i], ring[i + 1]))); } pathBonds.erase(std::make_pair(std::min(ring.front(), ring.back()), std::max(ring.front(), ring.back()))); } // Check if any other ring contains the same bonds. for (const auto & ring : m_rings) { std::set> ringBonds; // Add ring bonds. for (size_t i = 0; i < ring.size() - 1; i++) { ringBonds.insert(std::make_pair(std::min(ring[i], ring[i + 1]), std::max(ring[i], ring[i + 1]))); } // Add closure bond. ringBonds.insert(std::make_pair(std::min(ring.front(), ring.back()), std::max(ring.front(), ring.back()))); // Check intersection. std::set> intersection; std::set_intersection(pathBonds.begin(), pathBonds.end(), ringBonds.begin(), ringBonds.end(), std::inserter(intersection, intersection.begin())); if (intersection.size() == pathBonds.size()) return false; } return true; } std::vector> perceiveRings(const Graph& graph) { size_t n = graph.size(); size_t ringCount = graph.vertexCount() - graph.edgeCount() + 1; if (ringCount == 0) return std::vector>(); // Algorithm 1 - create the distance and pid matrices. DistanceMatrix D(n); PidMatrix P(n); PidMatrix Pt(n); for (size_t i = 0; i < n; ++i) { for (size_t j = 0; j < n; ++j) { if (i == j) D(i, j) = 0; else if (graph.containsEdge(i, j)) D(i, j) = 1; else D(i, j) = std::numeric_limits::max() / 2; // ~ infinity } } for (size_t k = 0; k < n; ++k) { for (size_t i = 0; i < n; ++i) { for (size_t j = 0; j < n; ++j) { if (i == j || i == k || k == j) continue; if (D(i, j) > D(i, k) + D(k, j)) { if (D(i, j) == D(i, k) + D(k, j) + 1) Pt(i, j) = P(i, j); else Pt(i, j).clear(); D(i, j) = D(i, k) + D(k, j); P(i, j) = P.splice(i, k, j); } else if (D(i, j) == D(i, k) + D(k, j)) { P.addPaths(i, j, P.splice(i, k, j)); } else if (D(i, j) == D(i, k) + D(k, j) - 1) { Pt.addPaths(i, j, P.splice(i, k, j)); } } } } // Algorithm 2 - create the ring candidate set. std::vector candidates; for (size_t i = 0; i < n; i++) { for (size_t j = i + 1; j < n; j++) { if (P(i, j).size() == 1 && Pt(i, j).size() == 0) { continue; } else { size_t size; if (P(i, j).size() > 1) size = 2 * D(i, j); else size = 2 * D(i, j) + 1; if (size > 2) candidates.emplace_back(size, i, j); } } } // Sort the candidates. std::sort(candidates.begin(), candidates.end(), RingCandidate::compareSize); // Algorithm 3 - find sssr from the ring candidate set. Sssr sssr; for (auto & candidate : candidates) { // odd sized ring if (candidate.size() & 1) { for (size_t i = 0; i < Pt(candidate.start(), candidate.end()).size(); ++i) { std::vector ring; ring.push_back(candidate.start()); std::vector& path = Pt(candidate.start(), candidate.end())[i]; ring.insert(ring.end(), path.begin(), path.end()); ring.push_back(candidate.end()); if (!P(candidate.end(), candidate.start()).empty()) { path = P(candidate.end(), candidate.start())[0]; ring.insert(ring.end(), path.begin(), path.end()); } // Check if ring is valid and unique. if (sssr.isValid(ring) && sssr.isUnique(ring)) { sssr.append(ring); break; } } } // Even sized ring. else { for (size_t i = 0; i < P(candidate.start(), candidate.end()).size() - 1; ++i) { std::vector ring; ring.push_back(candidate.start()); std::vector& path = P(candidate.start(), candidate.end())[i]; ring.insert(ring.end(), path.begin(), path.end()); ring.push_back(candidate.end()); path = P(candidate.end(), candidate.start())[i + 1]; ring.insert(ring.end(), path.begin(), path.end()); // check if ring is valid and unique if (sssr.isValid(ring) && sssr.isUnique(ring)) { sssr.append(ring); break; } } } if (sssr.size() == ringCount) break; } return sssr.rings(); } } // end anonymous namespace RingPerceiver::RingPerceiver(const Molecule* m) : m_ringsPerceived(false), m_molecule(m) { } void RingPerceiver::setMolecule(const Molecule* m) { m_molecule = m; m_ringsPerceived = false; } const Molecule* RingPerceiver::molecule() const { return m_molecule; } std::vector>& RingPerceiver::rings() { if (!m_ringsPerceived) { if (m_molecule) m_rings = perceiveRings(m_molecule->graph()); else m_rings.clear(); m_ringsPerceived = true; } return m_rings; } } // end Avogadro namespace avogadrolibs-1.100.0/avogadro/core/ringperceiver.h000066400000000000000000000017461474375334400221220ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_RINGPERCEIVER_H #define AVOGADRO_CORE_RINGPERCEIVER_H #include "avogadrocoreexport.h" #include #include namespace Avogadro::Core { class Molecule; class AVOGADROCORE_EXPORT RingPerceiver { public: // construction and destruction explicit RingPerceiver(const Molecule* m = nullptr); ~RingPerceiver() = default; // properties void setMolecule(const Molecule* m); const Molecule* molecule() const; // ring perception std::vector>& rings(); private: bool m_ringsPerceived; const Molecule* m_molecule; std::vector> m_rings; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_RINGPERCEIVER_H avogadrolibs-1.100.0/avogadro/core/secondarystructure.cpp000066400000000000000000000233741474375334400235620ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "secondarystructure.h" #include #include #include #include namespace Avogadro::Core { SecondaryStructureAssigner::SecondaryStructureAssigner(Molecule* mol) : m_molecule(mol) { } SecondaryStructureAssigner::~SecondaryStructureAssigner() { for (auto* hBond : m_hBonds) delete hBond; m_hBonds.clear(); } //! Adapted from 3DMol.js parsers.js //! https://github.com/3dmol/3Dmol.js/blob/master/3Dmol/parsers.js void SecondaryStructureAssigner::assign(Molecule* mol) { m_molecule = mol; // Clear the current secondary structure auto residueCount = m_molecule->residues().size(); for (auto residue : m_molecule->residues()) residue.setSecondaryStructure(Residue::SecondaryStructure::undefined); // First assign the hydrogen bonds along the backbone assignBackboneHydrogenBonds(); float infinity = std::numeric_limits::max(); // Then assign the alpha helix by going through the hBond records for (auto* hBond : m_hBonds) { if (hBond->distSquared < infinity) { // check to see how far apart the residues are int separation = std::abs(int(hBond->residue - hBond->residuePair)); switch (separation) { case 3: { // 3-10 m_molecule->residue(hBond->residue) .setSecondaryStructure(Residue::SecondaryStructure::helix310); break; } case 4: { // alpha m_molecule->residue(hBond->residue) .setSecondaryStructure(Residue::SecondaryStructure::alphaHelix); break; } case 5: { // pi m_molecule->residue(hBond->residue) .setSecondaryStructure(Residue::SecondaryStructure::piHelix); break; } default: { break; } } } } // Plug gaps in the helix for (size_t i = 1; i < residueCount - 1; ++i) { // check that before and after this residue are in the same chain if (m_molecule->residue(i).chainId() != m_molecule->residue(i - 1).chainId() || m_molecule->residue(i).chainId() != m_molecule->residue(i + 1).chainId()) continue; auto current = m_molecule->residue(i).secondaryStructure(); auto previous = m_molecule->residue(i - 1).secondaryStructure(); auto next = m_molecule->residue(i + 1).secondaryStructure(); // is there a gap in a helix (before and after are helix, so this should be) if (previous != Residue::SecondaryStructure::undefined && previous == next && current != previous) m_molecule->residue(i).setSecondaryStructure(previous); } // Then assign the beta sheet - but only if a residue isn't assigned for (auto* hBond : m_hBonds) { if (hBond->distSquared < infinity) { if (m_molecule->residue(hBond->residue).secondaryStructure() == Residue::SecondaryStructure::undefined) m_molecule->residue(hBond->residue) .setSecondaryStructure(Residue::SecondaryStructure::maybeBeta); } } // Check that sheets bond to other sheets for (auto* hBond : m_hBonds) { if (hBond->distSquared < infinity) { // find the match auto current = m_molecule->residue(hBond->residue); auto match = m_molecule->residue(hBond->residuePair); // if we're "maybe" beta see if the match is either beta or "maybe" if (current.secondaryStructure() == Residue::SecondaryStructure::maybeBeta && (match.secondaryStructure() == Residue::SecondaryStructure::maybeBeta || match.secondaryStructure() == Residue::SecondaryStructure::betaSheet)) { // we can be sure now m_molecule->residue(hBond->residue) .setSecondaryStructure(Residue::SecondaryStructure::betaSheet); m_molecule->residue(hBond->residuePair) .setSecondaryStructure(Residue::SecondaryStructure::betaSheet); } } } // Plug gaps in the beta sheet for (size_t i = 1; i < residueCount - 1; ++i) { // check that before and after this residue are in the same chain if (m_molecule->residue(i).chainId() != m_molecule->residue(i - 1).chainId() || m_molecule->residue(i).chainId() != m_molecule->residue(i + 1).chainId()) continue; auto current = m_molecule->residue(i).secondaryStructure(); auto previous = m_molecule->residue(i - 1).secondaryStructure(); auto next = m_molecule->residue(i + 1).secondaryStructure(); // is there a gap in a beta sheet? if (previous == Residue::SecondaryStructure::betaSheet && previous == next && current != previous) m_molecule->residue(i).setSecondaryStructure(previous); } // remove singletons for (size_t i = 1; i < residueCount - 1; ++i) { // check that before and after this residue are in the same chain if (m_molecule->residue(i).chainId() != m_molecule->residue(i - 1).chainId() || m_molecule->residue(i).chainId() != m_molecule->residue(i + 1).chainId()) continue; auto current = m_molecule->residue(i); // clear maybeBeta assignments (e.g. short bits) if (current.secondaryStructure() == Residue::SecondaryStructure::maybeBeta) m_molecule->residue(i).setSecondaryStructure( Residue::SecondaryStructure::undefined); if (current.secondaryStructure() != Residue::SecondaryStructure::undefined) { // make sure we don't have one lone odd assignment if (current.secondaryStructure() != m_molecule->residue(i - 1).secondaryStructure() && current.secondaryStructure() != m_molecule->residue(i + 1).secondaryStructure()) { m_molecule->residue(i).setSecondaryStructure( Residue::SecondaryStructure::undefined); } } } // end loop over residues (for singletons) } //! Adapted from 3DMol.js parsers.js assignBackboneHBond //! https://github.com/3dmol/3Dmol.js/blob/master/3Dmol/parsers.js void SecondaryStructureAssigner::assignBackboneHydrogenBonds() { if (m_molecule == nullptr) return; const float maxDist = 3.2; // in Angstroms const float maxDistSq = maxDist * maxDist; // 10.24 // delete any previous records for (auto* hBond : m_hBonds) delete hBond; m_hBonds.clear(); // Loop over the backbone atoms // we're just considering N and O (on a peptide) unsigned int idx = 0; // track the residue index for (const auto& residue : m_molecule->residues()) { unsigned int residueId = idx++; if (residue.isHeterogen()) continue; auto oxygen = residue.getAtomByName("O"); if (oxygen.isValid()) { auto* oRecord = new hBondRecord(); oRecord->atom = oxygen.index(); oRecord->atomZ = oxygen.position3d()[2]; oRecord->distSquared = std::numeric_limits::max(); oRecord->residue = residueId; oRecord->residuePair = residueId; // just a placeholder m_hBonds.push_back(oRecord); } auto nitrogen = residue.getAtomByName("N"); if (nitrogen.isValid()) { auto* nRecord = new hBondRecord(); nRecord->atom = nitrogen.index(); nRecord->atomZ = nitrogen.position3d()[2]; nRecord->distSquared = std::numeric_limits::max(); nRecord->residue = residueId; nRecord->residuePair = residueId; m_hBonds.push_back(nRecord); } } if (m_hBonds.size() == 0) return; // sort by z-coordinate std::sort(m_hBonds.begin(), m_hBonds.end(), // lambda for sorting by z-coordinate [2] [](const hBondRecord* a, const hBondRecord* b) { return a->atomZ < b->atomZ; }); // now loop through the sorted list (so we can exit quickly) int n = m_hBonds.size(); for (int i = 0; i < n; ++i) { auto* recordI = m_hBonds[i]; const Residue& residueI = m_molecule->residue(recordI->residue); for (int j = i + 1; j < n; ++j) { auto* recordJ = m_hBonds[j]; const Residue& residueJ = m_molecule->residue(recordJ->residue); // skip if we're not on the same chain if (residueI.chainId() != residueJ.chainId()) continue; if (residueI.chainId() == residueJ.chainId() && std::abs(int(residueI.residueId() - residueJ.residueId())) < 3) continue; // either the same or too close to each other // compute the distance between the two atoms float zDiff = fabs(m_molecule->atomPosition3d(recordJ->atom)[2] - m_molecule->atomPosition3d(recordI->atom)[2]); if (zDiff > maxDist) // everything else is too far away break; // x and y, we just skip this atom float yDiff = fabs(m_molecule->atomPosition3d(recordJ->atom)[1] - m_molecule->atomPosition3d(recordI->atom)[1]); if (yDiff > maxDist) continue; float xDiff = fabs(m_molecule->atomPosition3d(recordJ->atom)[0] - m_molecule->atomPosition3d(recordI->atom)[0]); if (xDiff > maxDist) continue; // compute the squared distance between the two atoms float distSq = xDiff * xDiff + yDiff * yDiff + zDiff * zDiff; if (distSq > maxDistSq) continue; // if we get here, we have a potential hydrogen bond // select the one with the shortest distance if (distSq < recordI->distSquared) { recordI->distSquared = distSq; recordI->residuePair = recordJ->residue; } if (distSq < recordJ->distSquared) { recordJ->distSquared = distSq; recordJ->residuePair = recordI->residue; } } // end for(j) } // end for(i) } } // namespace Avogadro::Core avogadrolibs-1.100.0/avogadro/core/secondarystructure.h000066400000000000000000000023361474375334400232220ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_SECONDARYSTRUCTURE_H #define AVOGADRO_CORE_SECONDARYSTRUCTURE_H #include "avogadrocoreexport.h" #include "avogadrocore.h" #include namespace Avogadro::Core { class Molecule; //! \internal struct hBondRecord { //! The atom index we're examining Index atom; //! The z-coordinate of the atom float atomZ; //! The residue containing the atom Index residue; //! The residue we're paired through an hbond Index residuePair; //! The length (squared) of the hydrogen bond float distSquared; }; class AVOGADROCORE_EXPORT SecondaryStructureAssigner { public: // construction and destruction explicit SecondaryStructureAssigner(Molecule* m = nullptr); ~SecondaryStructureAssigner(); void assign(Molecule* mol); private: void assignBackboneHydrogenBonds(); Molecule* m_molecule; std::vector m_hBonds; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_ANGLEITERATOR_H avogadrolibs-1.100.0/avogadro/core/sharedmutex.cpp000066400000000000000000000017271474375334400221410ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "sharedmutex.h" #include namespace Avogadro::Core { using std::shared_mutex; class SharedMutex::PIMPL { public: PIMPL() {} shared_mutex lock; }; SharedMutex::SharedMutex() : d(new PIMPL) {} SharedMutex::~SharedMutex() { delete d; } void SharedMutex::lockForRead() { d->lock.lock_shared(); } bool SharedMutex::tryLockForRead() { return d->lock.try_lock_shared(); } void SharedMutex::unlockForRead() { d->lock.unlock_shared(); } void SharedMutex::lockForWrite() { d->lock.lock(); } bool SharedMutex::tryLockForWrite() { return d->lock.try_lock(); } void SharedMutex::unlockForWrite() { d->lock.unlock(); } } // namespace Avogadro::Core avogadrolibs-1.100.0/avogadro/core/sharedmutex.h000066400000000000000000000027761474375334400216130ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_SHAREDMUTEX_H #define AVOGADRO_CORE_SHAREDMUTEX_H #include "avogadrocoreexport.h" namespace Avogadro::Core { /** * @class SharedMutex sharedmutex.h * @brief The SharedMutex class provides a simple wrapper for the C++17 * shared_mutex class * @author Marcus D. Hanwell * * A very simple, and thin wrapper around the C++17 shared_mutex class, allowing * for lock, tryLock and unlock. */ class AVOGADROCORE_EXPORT SharedMutex { public: SharedMutex(); ~SharedMutex(); /** * @brief Obtain a shared read lock. */ void lockForRead(); /** * @brief Attempt to obtain a shared read lock. * @return True on success, false on failure. */ bool tryLockForRead(); /** * @brief Unlocks the exclusive write lock. */ void unlockForRead(); /** * @brief Obtain an exclusive write lock. */ void lockForWrite(); /** * @brief Attempt to obtain an exclusive write lock. * @return True on success, false on failure. */ bool tryLockForWrite(); /** * @brief Unlocks the exclusive write lock. */ void unlockForWrite(); private: class PIMPL; PIMPL* d; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_SHAREDMUTEX_H avogadrolibs-1.100.0/avogadro/core/slaterset.cpp000066400000000000000000000074251474375334400216170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "slaterset.h" #include #include #include namespace Avogadro::Core { bool SlaterSet::addSlaterIndices(const std::vector& i) { m_slaterIndices = i; return true; } bool SlaterSet::addSlaterTypes(const std::vector& t) { m_initialized = false; m_slaterTypes = t; return true; } bool SlaterSet::addZetas(const std::vector& z) { m_initialized = false; m_zetas = z; return true; } bool SlaterSet::addPQNs(const std::vector& pqns) { m_initialized = false; m_pqns = pqns; return true; } bool SlaterSet::addOverlapMatrix(const Eigen::MatrixXd& m) { m_initialized = false; m_overlap.resize(m.rows(), m.cols()); m_overlap = m; return true; } bool SlaterSet::addEigenVectors(const Eigen::MatrixXd& e) { m_eigenVectors.resize(e.rows(), e.cols()); m_eigenVectors = e; return true; } bool SlaterSet::addDensityMatrix(const Eigen::MatrixXd& d) { m_density.resize(d.rows(), d.cols()); m_density = d; return true; } unsigned int SlaterSet::molecularOrbitalCount(ElectronType) const { return static_cast(m_overlap.cols()); } void SlaterSet::outputAll() {} void SlaterSet::initCalculation() { if (m_initialized) return; m_normalized.resize(m_overlap.cols(), m_overlap.rows()); Eigen::SelfAdjointEigenSolver s(m_overlap); const MatrixX& p = s.eigenvectors(); MatrixX m = p * s.eigenvalues().array().inverse().array().sqrt().matrix().asDiagonal() * p.inverse(); m_normalized = m * m_eigenVectors; if (!(m_overlap * m * m).eval().isIdentity()) std::cout << "Identity test FAILED - do you need a newer version of Eigen?\n"; m_factors.resize(m_zetas.size()); m_PQNs = m_pqns; // Calculate the normalizations of the orbitals. for (size_t i = 0; i < m_zetas.size(); ++i) { switch (m_slaterTypes[i]) { case S: m_factors[i] = pow(2.0 * m_zetas[i], m_pqns[i] + 0.5) * sqrt(1.0 / (4.0 * M_PI) / factorial(2 * m_pqns[i])); m_PQNs[i] -= 1; break; case PX: case PY: case PZ: m_factors[i] = pow(2.0 * m_zetas[i], m_pqns[i] + 0.5) * sqrt(3.0 / (4.0 * M_PI) / factorial(2 * m_pqns[i])); m_PQNs[i] -= 2; break; case X2: m_factors[i] = 0.5 * pow(2.0 * m_zetas[i], m_pqns[i] + 0.5) * sqrt(15.0 / (4.0 * M_PI) / factorial(2 * m_pqns[i])); m_PQNs[i] -= 3; break; case XZ: m_factors[i] = pow(2.0 * m_zetas[i], m_pqns[i] + 0.5) * sqrt(15.0 / (4.0 * M_PI) / factorial(2 * m_pqns[i])); m_PQNs[i] -= 3; break; case Z2: m_factors[i] = (0.5 / sqrt(3.0)) * pow(2.0 * m_zetas[i], m_pqns[i] + 0.5) * sqrt(15.0 / (4.0 * M_PI) / factorial(2 * m_pqns[i])); m_PQNs[i] -= 3; break; case YZ: case XY: m_factors[i] = pow(2.0 * m_zetas[i], m_pqns[i] + 0.5) * sqrt(15.0 / (4.0 * M_PI) / factorial(2 * m_pqns[i])); m_PQNs[i] -= 3; break; default: std::cout << "Orbital " << i << " not handled, type " << m_slaterTypes[i] << std::endl; } } // Convert the exponents into Angstroms for (double& m_zeta : m_zetas) m_zeta = m_zeta / BOHR_TO_ANGSTROM_D; m_initialized = true; } inline unsigned int SlaterSet::factorial(unsigned int n) { if (n <= 1) return n; return (n * factorial(n - 1)); } } // End namespace Avogadro::Core avogadrolibs-1.100.0/avogadro/core/slaterset.h000066400000000000000000000102561474375334400212600ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_SLATERSET_H #define AVOGADRO_CORE_SLATERSET_H #include "basisset.h" #include #include #include namespace Avogadro::Core { /** * @class SlaterSet slaterset.h * @brief SlaterSet Class * @author Marcus D. Hanwell * * The SlaterSet class has a transparent data structure for storing the basis * sets output by many quantum mechanical codes. It has a certain hierarchy * where shells are built up from n primitives, in this case Slater Type * Orbitals (STOs). Each shell has a type (S, P, D, F, etc) and is composed of * one or more STOs. Each STO has a contraction coefficient, c, and an exponent, * a. * * When calculating Molecular Orbitals (MOs) each orthogonal shell has an * independent coefficient. That is the S type orbitals have one coefficient, * the P type orbitals have three coefficients (Px, Py and Pz), the D type * orbitals have five (or six if cartesian types) coefficients, and so on. */ struct SlaterShell; class AVOGADROCORE_EXPORT SlaterSet : public BasisSet { public: /** * Constructor. */ SlaterSet() = default; /** * Destructor. */ ~SlaterSet() override = default; /** * Clone. */ SlaterSet* clone() const override { return new SlaterSet(*this); } /** * Enumeration of the Slater orbital types. */ enum slater { S, PX, PY, PZ, X2, XZ, Z2, YZ, XY, UU }; /** * Add a basis to the basis set. * @param i Index of the atom to add the Basis too. * @return The index of the added Basis. */ bool addSlaterIndices(const std::vector& i); /** * Add the symmetry types for the orbitals. * @param t Vector containing the types of symmetry using the slater enum. */ bool addSlaterTypes(const std::vector& t); /** * Add a STO to the supplied basis. * @param zetas The exponents of the STOs * @return True if successful. */ bool addZetas(const std::vector& zetas); /** * The PQNs for the orbitals. */ bool addPQNs(const std::vector& pqns); /** * The overlap matrix. * @param m Matrix containing the overlap matrix for the basis. */ bool addOverlapMatrix(const Eigen::MatrixXd& m); /** * Add Eigen Vectors to the SlaterSet. * @param e Matrix of the eigen vectors for the SlaterSet. */ bool addEigenVectors(const Eigen::MatrixXd& e); /** * Add the density matrix to the SlaterSet. * @param d Density matrix for the SlaterSet. */ bool addDensityMatrix(const Eigen::MatrixXd& d); /** * @return The number of molecular orbitals in the BasisSet. */ unsigned int molecularOrbitalCount(ElectronType type = Paired) const override; /** * @return True of the basis set is valid, false otherwise. * Default is true, if false then the basis set is likely unusable. */ bool isValid() override { return true; } /** * Initialize the calculation, this must normally be done before anything. */ void initCalculation(); /** * Accessors for the various properties of the GaussianSet. */ std::vector& slaterIndices() { return m_slaterIndices; } std::vector& slaterTypes() { return m_slaterTypes; } std::vector& zetas() { return m_zetas; } std::vector& factors() { return m_factors; } std::vector& PQNs() { return m_PQNs; } MatrixX& normalizedMatrix() { return m_normalized; } MatrixX& densityMatrix() { return m_density; } // Nonfunctional - Included for backwards compatibility void outputAll(); private: std::vector m_slaterIndices; std::vector m_slaterTypes; std::vector m_zetas; std::vector m_pqns, m_PQNs; std::vector m_factors; MatrixX m_overlap; MatrixX m_eigenVectors; MatrixX m_density; MatrixX m_normalized; bool m_initialized = false; unsigned int factorial(unsigned int n); }; } // namespace Avogadro::Core #endif avogadrolibs-1.100.0/avogadro/core/slatersettools.cpp000066400000000000000000000105521474375334400226730ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "slatersettools.h" #include "molecule.h" #include "slaterset.h" namespace Avogadro::Core { SlaterSetTools::SlaterSetTools(Molecule* mol) : m_molecule(mol) { if (m_molecule) m_basis = dynamic_cast(m_molecule->basisSet()); } double SlaterSetTools::calculateMolecularOrbital(const Vector3& position, int mo) const { if (mo > static_cast(m_basis->molecularOrbitalCount())) return 0.0; std::vector values(calculateValues(position)); const MatrixX& matrix = m_basis->normalizedMatrix(); int matrixSize(static_cast(matrix.rows())); int indexMO(mo - 1); // Now calculate the value of the density at this point in space double result(0.0); for (int i = 0; i < matrixSize; ++i) result += matrix(i, indexMO) * values[i]; return result; } double SlaterSetTools::calculateElectronDensity(const Vector3& position) const { const MatrixX& matrix = m_basis->densityMatrix(); int matrixSize(static_cast(m_basis->normalizedMatrix().rows())); if (matrix.rows() != matrixSize || matrix.cols() != matrixSize) return 0.0; std::vector values(calculateValues(position)); // Now calculate the value of the density at this point in space double rho(0.0); for (int i = 0; i < matrixSize; ++i) { // Calculate the off-diagonal parts of the matrix for (int j = 0; j < i; ++j) rho += 2.0 * matrix(i, j) * (values[i] * values[j]); // Now calculate the matrix diagonal rho += matrix(i, i) * (values[i] * values[i]); } return rho; } double SlaterSetTools::calculateSpinDensity(const Vector3&) const { return 0.0; } bool SlaterSetTools::isValid() const { return (m_molecule != nullptr) && (dynamic_cast(m_molecule->basisSet()) != nullptr); } inline bool SlaterSetTools::isSmall(double val) const { return std::abs(val) < 1e-20; } std::vector SlaterSetTools::calculateValues( const Vector3& position) const { m_basis->initCalculation(); Index atomsSize = m_molecule->atomCount(); size_t basisSize = m_basis->zetas().size(); const std::vector& slaterIndices = m_basis->slaterIndices(); const std::vector& slaterTypes = m_basis->slaterTypes(); const std::vector& PQNs = m_basis->PQNs(); const std::vector& factors = m_basis->factors(); const std::vector& zetas = m_basis->zetas(); std::vector deltas; std::vector dr2; deltas.reserve(atomsSize); dr2.reserve(atomsSize); // Calculate the deltas for the position for (Index i = 0; i < atomsSize; ++i) { deltas.emplace_back(position - m_molecule->atom(i).position3d()); dr2.push_back(deltas[i].squaredNorm()); } // Allocate space for the values to be calculated. std::vector values; values.resize(basisSize); // Now calculate the values at this point in space for (size_t i = 0; i < basisSize; ++i) { double dr(dr2[slaterIndices[i]]); Vector3 delta(deltas[slaterIndices[i]]); values[i] = factors[i] * exp(-zetas[i] * dr); // Radial part with effective PQNs for (int j = 0; j < PQNs[i]; ++j) values[i] *= dr; switch (slaterTypes[i]) { case SlaterSet::S: break; case SlaterSet::PX: values[i] *= delta.x(); break; case SlaterSet::PY: values[i] *= delta.y(); break; case SlaterSet::PZ: values[i] *= delta.z(); break; case SlaterSet::X2: // (x^2 - y^2)r^n values[i] *= delta.x() * delta.x() - delta.y() * delta.y(); break; case SlaterSet::XZ: // xzr^n values[i] *= delta.x() * delta.z(); break; case SlaterSet::Z2: // (2z^2 - x^2 - y^2)r^n values[i] *= 2.0 * delta.z() * delta.z() - delta.x() * delta.x() - delta.y() * delta.y(); break; case SlaterSet::YZ: // yzr^n values[i] *= delta.y() * delta.z(); break; case SlaterSet::XY: // xyr^n values[i] *= delta.x() * delta.y(); break; default: values[i] = 0.0; } } return values; } } // namespace Avogadro::Core avogadrolibs-1.100.0/avogadro/core/slatersettools.h000066400000000000000000000051001474375334400223310ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_SLATERSETTOOLS_H #define AVOGADRO_CORE_SLATERSETTOOLS_H #include "avogadrocoreexport.h" #include "vector.h" #include namespace Avogadro::Core { class Molecule; class SlaterSet; /** * @class SlaterSetTools slatersettools.h * @brief Provide tools to calculate molecular orbitals, electron densities and * other derived data stored in a GaussianSet result. * @author Marcus D. Hanwell */ class AVOGADROCORE_EXPORT SlaterSetTools { public: explicit SlaterSetTools(Molecule* mol = nullptr); ~SlaterSetTools() = default; /** * @brief Calculate the value of the specified molecular orbital at the * position specified. * @param position The position in space to calculate the value. * @param molecularOrbitalNumber The molecular orbital number. * @return The value of the molecular orbital at the position specified. */ double calculateMolecularOrbital(const Vector3& position, int molecularOrbitalNumber) const; /** * @brief Calculate the value of the electron density at the position * specified. * @param position The position in space to calculate the value. * @return The value of the electron density at the position specified. */ double calculateElectronDensity(const Vector3& position) const; /** * @brief Calculate the value of the electron spin density at the position * specified. * @param position The position in space to calculate the value. * @return The value of the spin density at the position specified. */ double calculateSpinDensity(const Vector3& position) const; /** * @brief Check that the basis set is valid and can be used. * @return True if valid, false otherwise. */ bool isValid() const; private: Molecule* m_molecule; SlaterSet* m_basis; bool isSmall(double value) const; /** * @brief Calculate the values at this position in space. The public calculate * functions call this function to prepare values before multiplying by the * molecular orbital or density matrix elements. * @param position The position in space to calculate the value. */ std::vector calculateValues(const Vector3& position) const; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_SlaterSetTools_H avogadrolibs-1.100.0/avogadro/core/spacegroupdata.h000066400000000000000000006401571474375334400222650ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_SPACE_GROUP_DATA #define AVOGADRO_CORE_SPACE_GROUP_DATA // This file contains data for each hall number. // For example, [3] accesses data for hall number 3. // [0] is a dummy in every case. There are 530 entries in each one. namespace Avogadro::Core { const unsigned short space_group_international_number[] = { 0, 1, 2, 3, 3, 3, 4, 4, 4, 5, 5, 5, 5, 5, 5, 5, 5, 5, 6, 6, 6, 7, 7, 7, 7, 7, 7, 7, 7, 7, 8, 8, 8, 8, 8, 8, 8, 8, 8, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 9, 10, 10, 10, 11, 11, 11, 12, 12, 12, 12, 12, 12, 12, 12, 12, 13, 13, 13, 13, 13, 13, 13, 13, 13, 14, 14, 14, 14, 14, 14, 14, 14, 14, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 15, 16, 17, 17, 17, 18, 18, 18, 19, 20, 20, 20, 21, 21, 21, 22, 23, 24, 25, 25, 25, 26, 26, 26, 26, 26, 26, 27, 27, 27, 28, 28, 28, 28, 28, 28, 29, 29, 29, 29, 29, 29, 30, 30, 30, 30, 30, 30, 31, 31, 31, 31, 31, 31, 32, 32, 32, 33, 33, 33, 33, 33, 33, 34, 34, 34, 35, 35, 35, 36, 36, 36, 36, 36, 36, 37, 37, 37, 38, 38, 38, 38, 38, 38, 39, 39, 39, 39, 39, 39, 40, 40, 40, 40, 40, 40, 41, 41, 41, 41, 41, 41, 42, 42, 42, 43, 43, 43, 44, 44, 44, 45, 45, 45, 46, 46, 46, 46, 46, 46, 47, 48, 48, 49, 49, 49, 50, 50, 50, 50, 50, 50, 51, 51, 51, 51, 51, 51, 52, 52, 52, 52, 52, 52, 53, 53, 53, 53, 53, 53, 54, 54, 54, 54, 54, 54, 55, 55, 55, 56, 56, 56, 57, 57, 57, 57, 57, 57, 58, 58, 58, 59, 59, 59, 59, 59, 59, 60, 60, 60, 60, 60, 60, 61, 61, 62, 62, 62, 62, 62, 62, 63, 63, 63, 63, 63, 63, 64, 64, 64, 64, 64, 64, 65, 65, 65, 66, 66, 66, 67, 67, 67, 67, 67, 67, 68, 68, 68, 68, 68, 68, 68, 68, 68, 68, 68, 68, 69, 70, 70, 71, 72, 72, 72, 73, 73, 74, 74, 74, 74, 74, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 85, 86, 86, 87, 88, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 125, 126, 126, 127, 128, 129, 129, 130, 130, 131, 132, 133, 133, 134, 134, 135, 136, 137, 137, 138, 138, 139, 140, 141, 141, 142, 142, 143, 144, 145, 146, 146, 147, 148, 148, 149, 150, 151, 152, 153, 154, 155, 155, 156, 157, 158, 159, 160, 160, 161, 161, 162, 163, 164, 165, 166, 166, 167, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, 201, 201, 202, 203, 203, 204, 205, 206, 207, 208, 209, 210, 211, 212, 213, 214, 215, 216, 217, 218, 219, 220, 221, 222, 222, 223, 224, 224, 225, 226, 227, 227, 228, 228, 229, 230 }; const char* space_group_schoenflies[] = { "", "C1^1", "Ci^1", "C2^1", "C2^1", "C2^1", "C2^2", "C2^2", "C2^2", "C2^3", "C2^3", "C2^3", "C2^3", "C2^3", "C2^3", "C2^3", "C2^3", "C2^3", "Cs^1", "Cs^1", "Cs^1", "Cs^2", "Cs^2", "Cs^2", "Cs^2", "Cs^2", "Cs^2", "Cs^2", "Cs^2", "Cs^2", "Cs^3", "Cs^3", "Cs^3", "Cs^3", "Cs^3", "Cs^3", "Cs^3", "Cs^3", "Cs^3", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "Cs^4", "C2h^1", "C2h^1", "C2h^1", "C2h^2", "C2h^2", "C2h^2", "C2h^3", "C2h^3", "C2h^3", "C2h^3", "C2h^3", "C2h^3", "C2h^3", "C2h^3", "C2h^3", "C2h^4", "C2h^4", "C2h^4", "C2h^4", "C2h^4", "C2h^4", "C2h^4", "C2h^4", "C2h^4", "C2h^5", "C2h^5", "C2h^5", "C2h^5", "C2h^5", "C2h^5", "C2h^5", "C2h^5", "C2h^5", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "C2h^6", "D2^1", "D2^2", "D2^2", "D2^2", "D2^3", "D2^3", "D2^3", "D2^4", "D2^5", "D2^5", "D2^5", "D2^6", "D2^6", "D2^6", "D2^7", "D2^8", "D2^9", "C2v^1", "C2v^1", "C2v^1", "C2v^2", "C2v^2", "C2v^2", "C2v^2", "C2v^2", "C2v^2", "C2v^3", "C2v^3", "C2v^3", "C2v^4", "C2v^4", "C2v^4", "C2v^4", "C2v^4", "C2v^4", "C2v^5", "C2v^5", "C2v^5", "C2v^5", "C2v^5", "C2v^5", "C2v^6", "C2v^6", "C2v^6", "C2v^6", "C2v^6", "C2v^6", "C2v^7", "C2v^7", "C2v^7", "C2v^7", "C2v^7", "C2v^7", "C2v^8", "C2v^8", "C2v^8", "C2v^9", "C2v^9", "C2v^9", "C2v^9", "C2v^9", "C2v^9", "C2v^10", "C2v^10", "C2v^10", "C2v^11", "C2v^11", "C2v^11", "C2v^12", "C2v^12", "C2v^12", "C2v^12", "C2v^12", "C2v^12", "C2v^13", "C2v^13", "C2v^13", "C2v^14", "C2v^14", "C2v^14", "C2v^14", "C2v^14", "C2v^14", "C2v^15", "C2v^15", "C2v^15", "C2v^15", "C2v^15", "C2v^15", "C2v^16", "C2v^16", "C2v^16", "C2v^16", "C2v^16", "C2v^16", "C2v^17", "C2v^17", "C2v^17", "C2v^17", "C2v^17", "C2v^17", "C2v^18", "C2v^18", "C2v^18", "C2v^19", "C2v^19", "C2v^19", "C2v^20", "C2v^20", "C2v^20", "C2v^21", "C2v^21", "C2v^21", "C2v^22", "C2v^22", "C2v^22", "C2v^22", "C2v^22", "C2v^22", "D2h^1", "D2h^2", "D2h^2", "D2h^3", "D2h^3", "D2h^3", "D2h^4", "D2h^4", "D2h^4", "D2h^4", "D2h^4", "D2h^4", "D2h^5", "D2h^5", "D2h^5", "D2h^5", "D2h^5", "D2h^5", "D2h^6", "D2h^6", "D2h^6", "D2h^6", "D2h^6", "D2h^6", "D2h^7", "D2h^7", "D2h^7", "D2h^7", "D2h^7", "D2h^7", "D2h^8", "D2h^8", "D2h^8", "D2h^8", "D2h^8", "D2h^8", "D2h^9", "D2h^9", "D2h^9", "D2h^10", "D2h^10", "D2h^10", "D2h^11", "D2h^11", "D2h^11", "D2h^11", "D2h^11", "D2h^11", "D2h^12", "D2h^12", "D2h^12", "D2h^13", "D2h^13", "D2h^13", "D2h^13", "D2h^13", "D2h^13", "D2h^14", "D2h^14", "D2h^14", "D2h^14", "D2h^14", "D2h^14", "D2h^15", "D2h^15", "D2h^16", "D2h^16", "D2h^16", "D2h^16", "D2h^16", "D2h^16", "D2h^17", "D2h^17", "D2h^17", "D2h^17", "D2h^17", "D2h^17", "D2h^18", "D2h^18", "D2h^18", "D2h^18", "D2h^18", "D2h^18", "D2h^19", "D2h^19", "D2h^19", "D2h^20", "D2h^20", "D2h^20", "D2h^21", "D2h^21", "D2h^21", "D2h^21", "D2h^21", "D2h^21", "D2h^22", "D2h^22", "D2h^22", "D2h^22", "D2h^22", "D2h^22", "D2h^22", "D2h^22", "D2h^22", "D2h^22", "D2h^22", "D2h^22", "D2h^23", "D2h^24", "D2h^24", "D2h^25", "D2h^26", "D2h^26", "D2h^26", "D2h^27", "D2h^27", "D2h^28", "D2h^28", "D2h^28", "D2h^28", "D2h^28", "D2h^28", "C4^1", "C4^2", "C4^3", "C4^4", "C4^5", "C4^6", "S4^1", "S4^2", "C4h^1", "C4h^2", "C4h^3", "C4h^3", "C4h^4", "C4h^4", "C4h^5", "C4h^6", "C4h^6", "D4^1", "D4^2", "D4^3", "D4^4", "D4^5", "D4^6", "D4^7", "D4^8", "D4^9", "D4^10", "C4v^1", "C4v^2", "C4v^3", "C4v^4", "C4v^5", "C4v^6", "C4v^7", "C4v^8", "C4v^9", "C4v^10", "C4v^11", "C4v^12", "D2d^1", "D2d^2", "D2d^3", "D2d^4", "D2d^5", "D2d^6", "D2d^7", "D2d^8", "D2d^9", "D2d^10", "D2d^11", "D2d^12", "D4h^1", "D4h^2", "D4h^3", "D4h^3", "D4h^4", "D4h^4", "D4h^5", "D4h^6", "D4h^7", "D4h^7", "D4h^8", "D4h^8", "D4h^9", "D4h^10", "D4h^11", "D4h^11", "D4h^12", "D4h^12", "D4h^13", "D4h^14", "D4h^15", "D4h^15", "D4h^16", "D4h^16", "D4h^17", "D4h^18", "D4h^19", "D4h^19", "D4h^20", "D4h^20", "C3^1", "C3^2", "C3^3", "C3^4", "C3^4", "C3i^1", "C3i^2", "C3i^2", "D3^1", "D3^2", "D3^3", "D3^4", "D3^5", "D3^6", "D3^7", "D3^7", "C3v^1", "C3v^2", "C3v^3", "C3v^4", "C3v^5", "C3v^5", "C3v^6", "C3v^6", "D3d^1", "D3d^2", "D3d^3", "D3d^4", "D3d^5", "D3d^5", "D3d^6", "D3d^6", "C6^1", "C6^2", "C6^3", "C6^4", "C6^5", "C6^6", "C3h^1", "C6h^1", "C6h^2", "D6^1", "D6^2", "D6^3", "D6^4", "D6^5", "D6^6", "C6v^1", "C6v^2", "C6v^3", "C6v^4", "D3h^1", "D3h^2", "D3h^3", "D3h^4", "D6h^1", "D6h^2", "D6h^3", "D6h^4", "T^1", "T^2", "T^3", "T^4", "T^5", "Th^1", "Th^2", "Th^2", "Th^3", "Th^4", "Th^4", "Th^5", "Th^6", "Th^7", "O^1", "O^2", "O^3", "O^4", "O^5", "O^6", "O^7", "O^8", "Td^1", "Td^2", "Td^3", "Td^4", "Td^5", "Td^6", "Oh^1", "Oh^2", "Oh^2", "Oh^3", "Oh^4", "Oh^4", "Oh^5", "Oh^6", "Oh^7", "Oh^7", "Oh^8", "Oh^8", "Oh^9", "Oh^10" }; const char* space_group_hall_symbol[] = { "", "P 1", "-P 1", "P 2y", "P 2", "P 2x", "P 2yb", "P 2c", "P 2xa", "C 2y", "A 2y", "I 2y", "A 2", "B 2", "I 2", "B 2x", "C 2x", "I 2x", "P -2y", "P -2", "P -2x", "P -2yc", "P -2yac", "P -2ya", "P -2a", "P -2ab", "P -2b", "P -2xb", "P -2xbc", "P -2xc", "C -2y", "A -2y", "I -2y", "A -2", "B -2", "I -2", "B -2x", "C -2x", "I -2x", "C -2yc", "A -2yac", "I -2ya", "A -2ya", "C -2ybc", "I -2yc", "A -2a", "B -2bc", "I -2b", "B -2b", "A -2ac", "I -2a", "B -2xb", "C -2xbc", "I -2xc", "C -2xc", "B -2xbc", "I -2xb", "-P 2y", "-P 2", "-P 2x", "-P 2yb", "-P 2c", "-P 2xa", "-C 2y", "-A 2y", "-I 2y", "-A 2", "-B 2", "-I 2", "-B 2x", "-C 2x", "-I 2x", "-P 2yc", "-P 2yac", "-P 2ya", "-P 2a", "-P 2ab", "-P 2b", "-P 2xb", "-P 2xbc", "-P 2xc", "-P 2ybc", "-P 2yn", "-P 2yab", "-P 2ac", "-P 2n", "-P 2bc", "-P 2xab", "-P 2xn", "-P 2xac", "-C 2yc", "-A 2yac", "-I 2ya", "-A 2ya", "-C 2ybc", "-I 2yc", "-A 2a", "-B 2bc", "-I 2b", "-B 2b", "-A 2ac", "-I 2a", "-B 2xb", "-C 2xbc", "-I 2xc", "-C 2xc", "-B 2xbc", "-I 2xb", "P 2 2", "P 2c 2", "P 2a 2a", "P 2 2b", "P 2 2ab", "P 2bc 2", "P 2ac 2ac", "P 2ac 2ab", "C 2c 2", "A 2a 2a", "B 2 2b", "C 2 2", "A 2 2", "B 2 2", "F 2 2", "I 2 2", "I 2b 2c", "P 2 -2", "P -2 2", "P -2 -2", "P 2c -2", "P 2c -2c", "P -2a 2a", "P -2 2a", "P -2 -2b", "P -2b -2", "P 2 -2c", "P -2a 2", "P -2b -2b", "P 2 -2a", "P 2 -2b", "P -2b 2", "P -2c 2", "P -2c -2c", "P -2a -2a", "P 2c -2ac", "P 2c -2b", "P -2b 2a", "P -2ac 2a", "P -2bc -2c", "P -2a -2ab", "P 2 -2bc", "P 2 -2ac", "P -2ac 2", "P -2ab 2", "P -2ab -2ab", "P -2bc -2bc", "P 2ac -2", "P 2bc -2bc", "P -2ab 2ab", "P -2 2ac", "P -2 -2bc", "P -2ab -2", "P 2 -2ab", "P -2bc 2", "P -2ac -2ac", "P 2c -2n", "P 2c -2ab", "P -2bc 2a", "P -2n 2a", "P -2n -2ac", "P -2ac -2n", "P 2 -2n", "P -2n 2", "P -2n -2n", "C 2 -2", "A -2 2", "B -2 -2", "C 2c -2", "C 2c -2c", "A -2a 2a", "A -2 2a", "B -2 -2b", "B -2b -2", "C 2 -2c", "A -2a 2", "B -2b -2b", "A 2 -2", "B 2 -2", "B -2 2", "C -2 2", "C -2 -2", "A -2 -2", "A 2 -2c", "B 2 -2c", "B -2c 2", "C -2b 2", "C -2b -2b", "A -2c -2c", "A 2 -2a", "B 2 -2b", "B -2b 2", "C -2c 2", "C -2c -2c", "A -2a -2a", "A 2 -2ac", "B 2 -2bc", "B -2bc 2", "C -2bc 2", "C -2bc -2bc", "A -2ac -2ac", "F 2 -2", "F -2 2", "F -2 -2", "F 2 -2d", "F -2d 2", "F -2d -2d", "I 2 -2", "I -2 2", "I -2 -2", "I 2 -2c", "I -2a 2", "I -2b -2b", "I 2 -2a", "I 2 -2b", "I -2b 2", "I -2c 2", "I -2c -2c", "I -2a -2a", "-P 2 2", "P 2 2 -1n", "-P 2ab 2bc", "-P 2 2c", "-P 2a 2", "-P 2b 2b", "P 2 2 -1ab", "-P 2ab 2b", "P 2 2 -1bc", "-P 2b 2bc", "P 2 2 -1ac", "-P 2a 2c", "-P 2a 2a", "-P 2b 2", "-P 2 2b", "-P 2c 2c", "-P 2c 2", "-P 2 2a", "-P 2a 2bc", "-P 2b 2n", "-P 2n 2b", "-P 2ab 2c", "-P 2ab 2n", "-P 2n 2bc", "-P 2ac 2", "-P 2bc 2bc", "-P 2ab 2ab", "-P 2 2ac", "-P 2 2bc", "-P 2ab 2", "-P 2a 2ac", "-P 2b 2c", "-P 2a 2b", "-P 2ac 2c", "-P 2bc 2b", "-P 2b 2ab", "-P 2 2ab", "-P 2bc 2", "-P 2ac 2ac", "-P 2ab 2ac", "-P 2ac 2bc", "-P 2bc 2ab", "-P 2c 2b", "-P 2c 2ac", "-P 2ac 2a", "-P 2b 2a", "-P 2a 2ab", "-P 2bc 2c", "-P 2 2n", "-P 2n 2", "-P 2n 2n", "P 2 2ab -1ab", "-P 2ab 2a", "P 2bc 2 -1bc", "-P 2c 2bc", "P 2ac 2ac -1ac", "-P 2c 2a", "-P 2n 2ab", "-P 2n 2c", "-P 2a 2n", "-P 2bc 2n", "-P 2ac 2b", "-P 2b 2ac", "-P 2ac 2ab", "-P 2bc 2ac", "-P 2ac 2n", "-P 2bc 2a", "-P 2c 2ab", "-P 2n 2ac", "-P 2n 2a", "-P 2c 2n", "-C 2c 2", "-C 2c 2c", "-A 2a 2a", "-A 2 2a", "-B 2 2b", "-B 2b 2", "-C 2bc 2", "-C 2bc 2bc", "-A 2ac 2ac", "-A 2 2ac", "-B 2 2bc", "-B 2bc 2", "-C 2 2", "-A 2 2", "-B 2 2", "-C 2 2c", "-A 2a 2", "-B 2b 2b", "-C 2b 2", "-C 2b 2b", "-A 2c 2c", "-A 2 2c", "-B 2 2c", "-B 2c 2", "C 2 2 -1bc", "-C 2b 2bc", "C 2 2 -1bc", "-C 2b 2c", "A 2 2 -1ac", "-A 2a 2c", "A 2 2 -1ac", "-A 2ac 2c", "B 2 2 -1bc", "-B 2bc 2b", "B 2 2 -1bc", "-B 2b 2bc", "-F 2 2", "F 2 2 -1d", "-F 2uv 2vw", "-I 2 2", "-I 2 2c", "-I 2a 2", "-I 2b 2b", "-I 2b 2c", "-I 2a 2b", "-I 2b 2", "-I 2a 2a", "-I 2c 2c", "-I 2 2b", "-I 2 2a", "-I 2c 2", "P 4", "P 4w", "P 4c", "P 4cw", "I 4", "I 4bw", "P -4", "I -4", "-P 4", "-P 4c", "P 4ab -1ab", "-P 4a", "P 4n -1n", "-P 4bc", "-I 4", "I 4bw -1bw", "-I 4ad", "P 4 2", "P 4ab 2ab", "P 4w 2c", "P 4abw 2nw", "P 4c 2", "P 4n 2n", "P 4cw 2c", "P 4nw 2abw", "I 4 2", "I 4bw 2bw", "P 4 -2", "P 4 -2ab", "P 4c -2c", "P 4n -2n", "P 4 -2c", "P 4 -2n", "P 4c -2", "P 4c -2ab", "I 4 -2", "I 4 -2c", "I 4bw -2", "I 4bw -2c", "P -4 2", "P -4 2c", "P -4 2ab", "P -4 2n", "P -4 -2", "P -4 -2c", "P -4 -2ab", "P -4 -2n", "I -4 -2", "I -4 -2c", "I -4 2", "I -4 2bw", "-P 4 2", "-P 4 2c", "P 4 2 -1ab", "-P 4a 2b", "P 4 2 -1n", "-P 4a 2bc", "-P 4 2ab", "-P 4 2n", "P 4ab 2ab -1ab", "-P 4a 2a", "P 4ab 2n -1ab", "-P 4a 2ac", "-P 4c 2", "-P 4c 2c", "P 4n 2c -1n", "-P 4ac 2b", "P 4n 2 -1n", "-P 4ac 2bc", "-P 4c 2ab", "-P 4n 2n", "P 4n 2n -1n", "-P 4ac 2a", "P 4n 2ab -1n", "-P 4ac 2ac", "-I 4 2", "-I 4 2c", "I 4bw 2bw -1bw", "-I 4bd 2", "I 4bw 2aw -1bw", "-I 4bd 2c", "P 3", "P 31", "P 32", "R 3", "P 3*", "-P 3", "-R 3", "-P 3*", "P 3 2", "P 3 2=", "P 31 2c (0 0 1)", "P 31 2=", "P 32 2c (0 0 -1)", "P 32 2=", "R 3 2=", "P 3* 2", "P 3 -2=", "P 3 -2", "P 3 -2=c", "P 3 -2c", "R 3 -2=", "P 3* -2", "R 3 -2=c", "P 3* -2n", "-P 3 2", "-P 3 2c", "-P 3 2=", "-P 3 2=c", "-R 3 2=", "-P 3* 2", "-R 3 2=c", "-P 3* 2n", "P 6", "P 61", "P 65", "P 62", "P 64", "P 6c", "P -6", "-P 6", "-P 6c", "P 6 2", "P 61 2 (0 0 -1)", "P 65 2 (0 0 1)", "P 62 2c (0 0 1)", "P 64 2c (0 0 -1)", "P 6c 2c", "P 6 -2", "P 6 -2c", "P 6c -2", "P 6c -2c", "P -6 2", "P -6c 2", "P -6 -2", "P -6c -2c", "-P 6 2", "-P 6 2c", "-P 6c 2", "-P 6c 2c", "P 2 2 3", "F 2 2 3", "I 2 2 3", "P 2ac 2ab 3", "I 2b 2c 3", "-P 2 2 3", "P 2 2 3 -1n", "-P 2ab 2bc 3", "-F 2 2 3", "F 2 2 3 -1d", "-F 2uv 2vw 3", "-I 2 2 3", "-P 2ac 2ab 3", "-I 2b 2c 3", "P 4 2 3", "P 4n 2 3", "F 4 2 3", "F 4d 2 3", "I 4 2 3", "P 4acd 2ab 3", "P 4bd 2ab 3", "I 4bd 2c 3", "P -4 2 3", "F -4 2 3", "I -4 2 3", "P -4n 2 3", "F -4c 2 3", "I -4bd 2c 3", "-P 4 2 3", "P 4 2 3 -1n", "-P 4a 2bc 3", "-P 4n 2 3", "P 4n 2 3 -1n", "-P 4bc 2bc 3", "-F 4 2 3", "-F 4c 2 3", "F 4d 2 3 -1d", "-F 4vw 2vw 3", "F 4d 2 3 -1cd", "-F 4cvw 2vw 3", "-I 4 2 3", "-I 4bd 2c 3" }; const char* space_group_international[] = { "", "P 1", "P -1", "P 2 = P 1 2 1", "P 2 = P 1 1 2", "P 2 = P 2 1 1", "P 2_1 = P 1 2_1 1", "P 2_1 = P 1 1 2_1", "P 2_1 = P 2_1 1 1", "C 2 = C 1 2 1", "C 2 = A 1 2 1", "C 2 = I 1 2 1", "C 2 = A 1 1 2", "C 2 = B 1 1 2 = B 2", "C 2 = I 1 1 2", "C 2 = B 2 1 1", "C 2 = C 2 1 1", "C 2 = I 2 1 1", "P m = P 1 m 1", "P m = P 1 1 m", "P m = P m 1 1", "P c = P 1 c 1", "P c = P 1 n 1", "P c = P 1 a 1", "P c = P 1 1 a", "P c = P 1 1 n", "P c = P 1 1 b = P b", "P c = P b 1 1", "P c = P n 1 1", "P c = P c 1 1", "C m = C 1 m 1", "C m = A 1 m 1", "C m = I 1 m 1", "C m = A 1 1 m", "C m = B 1 1 m = B m", "C m = I 1 1 m", "C m = B m 1 1", "C m = C m 1 1", "C m = I m 1 1", "C c = C 1 c 1", "C c = A 1 n 1", "C c = I 1 a 1", "C c = A 1 a 1", "C c = C 1 n 1", "C c = I 1 c 1", "C c = A 1 1 a", "C c = B 1 1 n", "C c = I 1 1 b", "C c = B 1 1 b = B b", "C c = A 1 1 n", "C c = I 1 1 a", "C c = B b 1 1", "C c = C n 1 1", "C c = I c 1 1", "C c = C c 1 1", "C c = B n 1 1", "C c = I b 1 1", "P 2/m = P 1 2/m 1", "P 2/m = P 1 1 2/m", "P 2/m = P 2/m 1 1", "P 2_1/m = P 1 2_1/m 1", "P 2_1/m = P 1 1 2_1/m", "P 2_1/m = P 2_1/m 1 1", "C 2/m = C 1 2/m 1", "C 2/m = A 1 2/m 1", "C 2/m = I 1 2/m 1", "C 2/m = A 1 1 2/m", "C 2/m = B 1 1 2/m = B 2/m", "C 2/m = I 1 1 2/m", "C 2/m = B 2/m 1 1", "C 2/m = C 2/m 1 1", "C 2/m = I 2/m 1 1", "P 2/c = P 1 2/c 1", "P 2/c = P 1 2/n 1", "P 2/c = P 1 2/a 1", "P 2/c = P 1 1 2/a", "P 2/c = P 1 1 2/n", "P 2/c = P 1 1 2/b = P 2/b", "P 2/c = P 2/b 1 1", "P 2/c = P 2/n 1 1", "P 2/c = P 2/c 1 1", "P 2_1/c = P 1 2_1/c 1", "P 2_1/c = P 1 2_1/n 1", "P 2_1/c = P 1 2_1/a 1", "P 2_1/c = P 1 1 2_1/a", "P 2_1/c = P 1 1 2_1/n", "P 2_1/c = P 1 1 2_1/b = P 2_1/b", "P 2_1/c = P 2_1/b 1 1", "P 2_1/c = P 2_1/n 1 1", "P 2_1/c = P 2_1/c 1 1", "C 2/c = C 1 2/c 1", "C 2/c = A 1 2/n 1", "C 2/c = I 1 2/a 1", "C 2/c = A 1 2/a 1", "C 2/c = C 1 2/n 1", "C 2/c = I 1 2/c 1", "C 2/c = A 1 1 2/a", "C 2/c = B 1 1 2/n", "C 2/c = I 1 1 2/b", "C 2/c = B 1 1 2/b = B 2/b", "C 2/c = A 1 1 2/n", "C 2/c = I 1 1 2/a", "C 2/c = B 2/b 1 1", "C 2/c = C 2/n 1 1", "C 2/c = I 2/c 1 1", "C 2/c = C 2/c 1 1", "C 2/c = B 2/n 1 1", "C 2/c = I 2/b 1 1", "P 2 2 2", "P 2 2 2_1", "P 2_1 2 2", "P 2 2_1 2", "P 2_1 2_1 2", "P 2 2_1 2_1", "P 2_1 2 2_1", "P 2_1 2_1 2_1", "C 2 2 2_1", "A 2_1 2 2", "B 2 2_1 2", "C 2 2 2", "A 2 2 2", "B 2 2 2", "F 2 2 2", "I 2 2 2", "I 2_1 2_1 2_1", "P m m 2", "P 2 m m", "P m 2 m", "P m c 2_1", "P c m 2_1", "P 2_1 m a", "P 2_1 a m", "P b 2_1 m", "P m 2_1 b", "P c c 2", "P 2 a a", "P b 2 b", "P m a 2", "P b m 2", "P 2 m b", "P 2 c m", "P c 2 m", "P m 2 a", "P c a 2_1", "P b c 2_1", "P 2_1 a b", "P 2_1 c a", "P c 2_1 b", "P b 2_1 a", "P n c 2", "P c n 2", "P 2 n a", "P 2 a n", "P b 2 n", "P n 2 b", "P m n 2_1", "P n m 2_1", "P 2_1 m n", "P 2_1 n m", "P n 2_1 m", "P m 2_1 n", "P b a 2", "P 2 c b", "P c 2 a", "P n a 2_1", "P b n 2_1", "P 2_1 n b", "P 2_1 c n", "P c 2_1 n", "P n 2_1 a", "P n n 2", "P 2 n n", "P n 2 n", "C m m 2", "A 2 m m", "B m 2 m", "C m c 2_1", "C c m 2_1", "A 2_1 m a", "A 2_1 a m", "B b 2_1 m", "B m 2_1 b", "C c c 2", "A 2 a a", "B b 2 b", "A m m 2", "B m m 2", "B 2 m m", "C 2 m m", "C m 2 m", "A m 2 m", "A e m 2", "B m e 2", "B 2 e m", "C 2 m e", "C m 2 e", "A e 2 m", "A m a 2", "B b m 2", "B 2 m b", "C 2 c m", "C c 2 m", "A m 2 a", "A e a 2", "B b e 2", "B 2 e b", "C 2 c e", "C c 2 e", "A e 2 a", "F m m 2", "F 2 m m", "F m 2 m", "F d d 2", "F 2 d d", "F d 2 d", "I m m 2", "I 2 m m", "I m 2 m", "I b a 2", "I 2 c b", "I c 2 a", "I m a 2", "I b m 2", "I 2 m b", "I 2 c m", "I c 2 m", "I m 2 a", "P m m m", "P n n n", "P n n n", "P c c m", "P m a a", "P b m b", "P b a n", "P b a n", "P n c b", "P n c b", "P c n a", "P c n a", "P m m a", "P m m b", "P b m m", "P c m m", "P m c m", "P m a m", "P n n a", "P n n b", "P b n n", "P c n n", "P n c n", "P n a n", "P m n a", "P n m b", "P b m n", "P c n m", "P n c m", "P m a n", "P c c a", "P c c b", "P b a a", "P c a a", "P b c b", "P b a b", "P b a m", "P m c b", "P c m a", "P c c n", "P n a a", "P b n b", "P b c m", "P c a m", "P m c a", "P m a b", "P b m a", "P c m b", "P n n m", "P m n n", "P n m n", "P m m n", "P m m n", "P n m m", "P n m m", "P m n m", "P m n m", "P b c n", "P c a n", "P n c a", "P n a b", "P b n a", "P c n b", "P b c a", "P c a b", "P n m a", "P m n b", "P b n m", "P c m n", "P m c n", "P n a m", "C m c m", "C c m m", "A m m a", "A m a m", "B b m m", "B m m b", "C m c e", "C c m e", "A e m a", "A e a m", "B b e m", "B m e b", "C m m m", "A m m m", "B m m m", "C c c m", "A m a a", "B b m b", "C m m e", "C m m e", "A e m m", "A e m m", "B m e m", "B m e m", "C c c e", "C c c e", "C c c e", "C c c e", "A e a a", "A e a a", "A e a a", "A e a a", "B b e b", "B b c b", "B b e b", "B b e b", "F m m m", "F d d d", "F d d d", "I m m m", "I b a m", "I m c b", "I c m a", "I b c a", "I c a b", "I m m a", "I m m b", "I b m m", "I c m m", "I m c m", "I m a m", "P 4", "P 4_1", "P 4_2", "P 4_3", "I 4", "I 4_1", "P -4", "I -4", "P 4/m", "P 4_2/m", "P 4/n", "P 4/n", "P 4_2/n", "P 4_2/n", "I 4/m", "I 4_1/a", "I 4_1/a", "P 4 2 2", "P 4 2_1 2", "P 4_1 2 2", "P 4_1 2_1 2", "P 4_2 2 2", "P 4_2 2_1 2", "P 4_3 2 2", "P 4_3 2_1 2", "I 4 2 2", "I 4_1 2 2", "P 4 m m", "P 4 b m", "P 4_2 c m", "P 4_2 n m", "P 4 c c", "P 4 n c", "P 4_2 m c", "P 4_2 b c", "I 4 m m", "I 4 c m", "I 4_1 m d", "I 4_1 c d", "P -4 2 m", "P -4 2 c", "P -4 2_1 m", "P -4 2_1 c", "P -4 m 2", "P -4 c 2", "P -4 b 2", "P -4 n 2", "I -4 m 2", "I -4 c 2", "I -4 2 m", "I -4 2 d", "P 4/m m m", "P 4/m c c", "P 4/n b m", "P 4/n b m", "P 4/n n c", "P 4/n n c", "P 4/m b m", "P 4/m n c", "P 4/n m m", "P 4/n m m", "P 4/n c c", "P 4/n c c", "P 4_2/m m c", "P 4_2/m c m", "P 4_2/n b c", "P 4_2/n b c", "P 4_2/n n m", "P 4_2/n n m", "P 4_2/m b c", "P 4_2/m n m", "P 4_2/n m c", "P 4_2/n m c", "P 4_2/n c m", "P 4_2/n c m", "I 4/m m m", "I 4/m c m", "I 4_1/a m d", "I 4_1/a m d", "I 4_1/a c d", "I 4_1/a c d", "P 3", "P 3_1", "P 3_2", "R 3", "R 3", "P -3", "R -3", "R -3", "P 3 1 2", "P 3 2 1", "P 3_1 1 2", "P 3_1 2 1", "P 3_2 1 2", "P 3_2 2 1", "R 3 2", "R 3 2", "P 3 m 1", "P 3 1 m", "P 3 c 1", "P 3 1 c", "R 3 m", "R 3 m", "R 3 c", "R 3 c", "P -3 1 m", "P -3 1 c", "P -3 m 1", "P -3 c 1", "R -3 m", "R -3 m", "R -3 c", "R -3 c", "P 6", "P 6_1", "P 6_5", "P 6_2", "P 6_4", "P 6_3", "P -6", "P 6/m", "P 6_3/m", "P 6 2 2", "P 6_1 2 2", "P 6_5 2 2", "P 6_2 2 2", "P 6_4 2 2", "P 6_3 2 2", "P 6 m m", "P 6 c c", "P 6_3 c m", "P 6_3 m c", "P -6 m 2", "P -6 c 2", "P -6 2 m", "P -6 2 c", "P 6/m m m", "P 6/m c c", "P 6_3/m c m", "P 6_3/m m c", "P 2 3", "F 2 3", "I 2 3", "P 2_1 3", "I 2_1 3", "P m 3", "P n 3", "P n 3", "F m 3", "F d 3", "F d 3", "I m 3", "P a 3", "I a 3", "P 4 3 2", "P 4_2 3 2", "F 4 3 2", "F 4_1 3 2", "I 4 3 2", "P 4_3 3 2", "P 4_1 3 2", "I 4_1 3 2", "P -4 3 m", "F -4 3 m", "I -4 3 m", "P -4 3 n", "F -4 3 c", "I -4 3 d", "P m -3 m", "P n -3 n", "P n -3 n", "P m -3 n", "P n -3 m", "P n -3 m", "F m -3 m", "F m -3 c", "F d -3 m", "F d -3 m", "F d -3 c", "F d -3 c", "I m -3 m", "I a -3 d" }; const char* space_group_international_full[] = { "", "P 1", "P -1", "P 1 2 1", "P 1 1 2", "P 2 1 1", "P 1 2_1 1", "P 1 1 2_1", "P 2_1 1 1", "C 1 2 1", "A 1 2 1", "I 1 2 1", "A 1 1 2", "B 1 1 2", "I 1 1 2", "B 2 1 1", "C 2 1 1", "I 2 1 1", "P 1 m 1", "P 1 1 m", "P m 1 1", "P 1 c 1", "P 1 n 1", "P 1 a 1", "P 1 1 a", "P 1 1 n", "P 1 1 b", "P b 1 1", "P n 1 1", "P c 1 1", "C 1 m 1", "A 1 m 1", "I 1 m 1", "A 1 1 m", "B 1 1 m", "I 1 1 m", "B m 1 1", "C m 1 1", "I m 1 1", "C 1 c 1", "A 1 n 1", "I 1 a 1", "A 1 a 1", "C 1 n 1", "I 1 c 1", "A 1 1 a", "B 1 1 n", "I 1 1 b", "B 1 1 b", "A 1 1 n", "I 1 1 a", "B b 1 1", "C n 1 1", "I c 1 1", "C c 1 1", "B n 1 1", "I b 1 1", "P 1 2/m 1", "P 1 1 2/m", "P 2/m 1 1", "P 1 2_1/m 1", "P 1 1 2_1/m", "P 2_1/m 1 1", "C 1 2/m 1", "A 1 2/m 1", "I 1 2/m 1", "A 1 1 2/m", "B 1 1 2/m", "I 1 1 2/m", "B 2/m 1 1", "C 2/m 1 1", "I 2/m 1 1", "P 1 2/c 1", "P 1 2/n 1", "P 1 2/a 1", "P 1 1 2/a", "P 1 1 2/n", "P 1 1 2/b", "P 2/b 1 1", "P 2/n 1 1", "P 2/c 1 1", "P 1 2_1/c 1", "P 1 2_1/n 1", "P 1 2_1/a 1", "P 1 1 2_1/a", "P 1 1 2_1/n", "P 1 1 2_1/b", "P 2_1/b 1 1", "P 2_1/n 1 1", "P 2_1/c 1 1", "C 1 2/c 1", "A 1 2/n 1", "I 1 2/a 1", "A 1 2/a 1", "C 1 2/n 1", "I 1 2/c 1", "A 1 1 2/a", "B 1 1 2/n", "I 1 1 2/b", "B 1 1 2/b", "A 1 1 2/n", "I 1 1 2/a", "B 2/b 1 1", "C 2/n 1 1", "I 2/c 1 1", "C 2/c 1 1", "B 2/n 1 1", "I 2/b 1 1", "P 2 2 2", "P 2 2 2_1", "P 2_1 2 2", "P 2 2_1 2", "P 2_1 2_1 2", "P 2 2_1 2_1", "P 2_1 2 2_1", "P 2_1 2_1 2_1", "C 2 2 2_1", "A 2_1 2 2", "B 2 2_1 2", "C 2 2 2", "A 2 2 2", "B 2 2 2", "F 2 2 2", "I 2 2 2", "I 2_1 2_1 2_1", "P m m 2", "P 2 m m", "P m 2 m", "P m c 2_1", "P c m 2_1", "P 2_1 m a", "P 2_1 a m", "P b 2_1 m", "P m 2_1 b", "P c c 2", "P 2 a a", "P b 2 b", "P m a 2", "P b m 2", "P 2 m b", "P 2 c m", "P c 2 m", "P m 2 a", "P c a 2_1", "P b c 2_1", "P 2_1 a b", "P 2_1 c a", "P c 2_1 b", "P b 2_1 a", "P n c 2", "P c n 2", "P 2 n a", "P 2 a n", "P b 2 n", "P n 2 b", "P m n 2_1", "P n m 2_1", "P 2_1 m n", "P 2_1 n m", "P n 2_1 m", "P m 2_1 n", "P b a 2", "P 2 c b", "P c 2 a", "P n a 2_1", "P b n 2_1", "P 2_1 n b", "P 2_1 c n", "P c 2_1 n", "P n 2_1 a", "P n n 2", "P 2 n n", "P n 2 n", "C m m 2", "A 2 m m", "B m 2 m", "C m c 2_1", "C c m 2_1", "A 2_1 m a", "A 2_1 a m", "B b 2_1 m", "B m 2_1 b", "C c c 2", "A 2 a a", "B b 2 b", "A m m 2", "B m m 2", "B 2 m m", "C 2 m m", "C m 2 m", "A m 2 m", "A e m 2", "B m e 2", "B 2 e m", "C 2 m e", "C m 2 e", "A e 2 m", "A m a 2", "B b m 2", "B 2 m b", "C 2 c m", "C c 2 m", "A m 2 a", "A e a 2", "B b e 2", "B 2 e b", "C 2 c e", "C c 2 e", "A e 2 a", "F m m 2", "F 2 m m", "F m 2 m", "F d d 2", "F 2 d d", "F d 2 d", "I m m 2", "I 2 m m", "I m 2 m", "I b a 2", "I 2 c b", "I c 2 a", "I m a 2", "I b m 2", "I 2 m b", "I 2 c m", "I c 2 m", "I m 2 a", "P 2/m 2/m 2/m", "P 2/n 2/n 2/n", "P 2/n 2/n 2/n", "P 2/c 2/c 2/m", "P 2/m 2/a 2/a", "P 2/b 2/m 2/b", "P 2/b 2/a 2/n", "P 2/b 2/a 2/n", "P 2/n 2/c 2/b", "P 2/n 2/c 2/b", "P 2/c 2/n 2/a", "P 2/c 2/n 2/a", "P 2_1/m 2/m 2/a", "P 2/m 2_1/m 2/b", "P 2/b 2_1/m 2/m", "P 2/c 2/m 2_1/m", "P 2/m 2/c 2_1/m", "P 2_1/m 2/a 2/m", "P 2/n 2_1/n 2/a", "P 2_1/n 2/n 2/b", "P 2/b 2/n 2_1/n", "P 2/c 2_1/n 2/n", "P 2_1/n 2/c 2/n", "P 2/n 2/a 2_1/n", "P 2/m 2/n 2_1/a", "P 2/n 2/m 2_1/b", "P 2_1/b 2/m 2/n", "P 2_1/c 2/n 2/m", "P 2/n 2_1/c 2/m", "P 2/m 2_1/a 2/n", "P 2_1/c 2/c 2/a", "P 2/c 2_1/c 2/b", "P 2/b 2_1/a 2/a", "P 2/c 2/a 2_1/a", "P 2/b 2/c 2_1/b", "P 2_1/b 2/a 2/b", "P 2_1/b 2_1/a 2/m", "P 2/m 2_1/c 2_1/b", "P 2_1/c 2/m 2_1/a", "P 2_1/c 2_1/c 2/n", "P 2/n 2_1/a 2_1/a", "P 2_1/b 2/n 2_1/b", "P 2/b 2_1/c 2_1/m", "P 2_1/c 2/a 2_1/m", "P 2_1/m 2/c 2_1/a", "P 2_1/m 2_1/a 2/b", "P 2_1/b 2_1/m 2/a", "P 2/c 2_1/m 2_1/b", "P 2_1/n 2_1/n 2/m", "P 2/m 2_1/n 2_1/n", "P 2_1/n 2/m 2_1/n", "P 2_1/m 2_1/m 2/n", "P 2_1/m 2_1/m 2/n", "P 2/n 2_1/m 2_1/m", "P 2/n 2_1/m 2_1/m", "P 2_1/m 2/n 2_1/m", "P 2_1/m 2/n 2_1/m", "P 2_1/b 2/c 2_1/n", "P 2/c 2_1/a 2_1/n", "P 2_1/n 2_1/c 2/a", "P 2_1/n 2/a 2_1/b", "P 2/b 2_1/n 2_1/a", "P 2_1/c 2_1/n 2/b", "P 2_1/b 2_1/c 2_1/a", "P 2_1/c 2_1/a 2_1/b", "P 2_1/n 2_1/m 2_1/a", "P 2_1/m 2_1/n 2_1/b", "P 2_1/b 2_1/n 2_1/m", "P 2_1/c 2_1/m 2_1/n", "P 2_1/m 2_1/c 2_1/n", "P 2_1/n 2_1/a 2_1/m", "C 2/m 2/c 2_1/m", "C 2/c 2/m 2_1/m", "A 2_1/m 2/m 2/a", "A 2_1/m 2/a 2/m", "B 2/b 2_1/m 2/m", "B 2/m 2_1/m 2/b", "C 2/m 2/c 2_1/e", "C 2/c 2/m 2_1/e", "A 2_1/e 2/m 2/a", "A 2_1/e 2/a 2/m", "B 2/b 2_1/e 2/m", "B 2/m 2_1/e 2/b", "C 2/m 2/m 2/m", "A 2/m 2/m 2/m", "B 2/m 2/m 2/m", "C 2/c 2/c 2/m", "A 2/m 2/a 2/a", "B 2/b 2/m 2/b", "C 2/m 2/m 2/e", "C 2/m 2/m 2/e", "A 2/e 2/m 2/m", "A 2/e 2/m 2/m", "B 2/m 2/e 2/m", "B 2/m 2/e 2/m", "C 2/c 2/c 2/e", "C 2/c 2/c 2/e", "C 2/c 2/c 2/e", "C 2/c 2/c 2/e", "A 2/e 2/a 2/a", "A 2/e 2/a 2/a", "A 2/e 2/a 2/a", "A 2/e 2/a 2/a", "B 2/b 2/e 2/b", "B 2/b 2/e 2/b", "B 2/b 2/e 2/b", "B 2/b 2/e 2/b", "F 2/m 2/m 2/m", "F 2/d 2/d 2/d", "F 2/d 2/d 2/d", "I 2/m 2/m 2/m", "I 2/b 2/a 2/m", "I 2/m 2/c 2/b", "I 2/c 2/m 2/a", "I 2/b 2/c 2/a", "I 2/c 2/a 2/b", "I 2/m 2/m 2/a", "I 2/m 2/m 2/b", "I 2/b 2/m 2/m", "I 2/c 2/m 2/m", "I 2/m 2/c 2/m", "I 2/m 2/a 2/m", "P 4", "P 4_1", "P 4_2", "P 4_3", "I 4", "I 4_1", "P -4", "I -4", "P 4/m", "P 4_2/m", "P 4/n", "P 4/n", "P 4_2/n", "P 4_2/n", "I 4/m", "I 4_1/a", "I 4_1/a", "P 4 2 2", "P 4 2_1 2", "P 4_1 2 2", "P 4_1 2_1 2", "P 4_2 2 2", "P 4_2 2_1 2", "P 4_3 2 2", "P 4_3 2_1 2", "I 4 2 2", "I 4_1 2 2", "P 4 m m", "P 4 b m", "P 4_2 c m", "P 4_2 n m", "P 4 c c", "P 4 n c", "P 4_2 m c", "P 4_2 b c", "I 4 m m", "I 4 c m", "I 4_1 m d", "I 4_1 c d", "P -4 2 m", "P -4 2 c", "P -4 2_1 m", "P -4 2_1 c", "P -4 m 2", "P -4 c 2", "P -4 b 2", "P -4 n 2", "I -4 m 2", "I -4 c 2", "I -4 2 m", "I -4 2 d", "P 4/m 2/m 2/m", "P 4/m 2/c 2/c", "P 4/n 2/b 2/m", "P 4/n 2/b 2/m", "P 4/n 2/n 2/c", "P 4/n 2/n 2/c", "P 4/m 2_1/b m", "P 4/m 2_1/n c", "P 4/n 2_1/m m", "P 4/n 2_1/m m", "P 4/n 2_1/c c", "P 4/n 2_1/c c", "P 4_2/m 2/m 2/c", "P 4_2/m 2/c 2/m", "P 4_2/n 2/b 2/c", "P 4_2/n 2/b 2/c", "P 4_2/n 2/n 2/m", "P 4_2/n 2/n 2/m", "P 4_2/m 2_1/b 2/c", "P 4_2/m 2_1/n 2/m", "P 4_2/n 2_1/m 2/c", "P 4_2/n 2_1/m 2/c", "P 4_2/n 2_1/c 2/m", "P 4_2/n 2_1/c 2/m", "I 4/m 2/m 2/m", "I 4/m 2/c 2/m", "I 4_1/a 2/m 2/d", "I 4_1/a 2/m 2/d", "I 4_1/a 2/c 2/d", "I 4_1/a 2/c 2/d", "P 3", "P 3_1", "P 3_2", "R 3", "R 3", "P -3", "R -3", "R -3", "P 3 1 2", "P 3 2 1", "P 3_1 1 2", "P 3_1 2 1", "P 3_2 1 2", "P 3_2 2 1", "R 3 2", "R 3 2", "P 3 m 1", "P 3 1 m", "P 3 c 1", "P 3 1 c", "R 3 m", "R 3 m", "R 3 c", "R 3 c", "P -3 1 2/m", "P -3 1 2/c", "P -3 2/m 1", "P -3 2/c 1", "R -3 2/m", "R -3 2/m", "R -3 2/c", "R -3 2/c", "P 6", "P 6_1", "P 6_5", "P 6_2", "P 6_4", "P 6_3", "P -6", "P 6/m", "P 6_3/m", "P 6 2 2", "P 6_1 2 2", "P 6_5 2 2", "P 6_2 2 2", "P 6_4 2 2", "P 6_3 2 2", "P 6 m m", "P 6 c c", "P 6_3 c m", "P 6_3 m c", "P -6 m 2", "P -6 c 2", "P -6 2 m", "P -6 2 c", "P 6/m 2/m 2/m", "P 6/m 2/c 2/c", "P 6_3/m 2/c 2/m", "P 6_3/m 2/m 2/c", "P 2 3", "F 2 3", "I 2 3", "P 2_1 3", "I 2_1 3", "P 2/m -3", "P 2/n -3", "P 2/n -3", "F 2/m -3", "F 2/d -3", "F 2/d -3", "I 2/m -3", "P 2_1/a -3", "I 2_1/a -3", "P 4 3 2", "P 4_2 3 2", "F 4 3 2", "F 4_1 3 2", "I 4 3 2", "P 4_3 3 2", "P 4_1 3 2", "I 4_1 3 2", "P -4 3 m", "F -4 3 m", "I -4 3 m", "P -4 3 n", "F -4 3 c", "I -4 3 d", "P 4/m -3 2/m", "P 4/n -3 2/n", "P 4/n -3 2/n", "P 4_2/m -3 2/n", "P 4_2/n -3 2/m", "P 4_2/n -3 2/m", "F 4/m -3 2/m", "F 4/m -3 2/c", "F 4_1/d -3 2/m", "F 4_1/d -3 2/m", "F 4_1/d -3 2/c", "F 4_1/d -3 2/c", "I 4/m -3 2/m", "I 4_1/a -3 2/d" }; const char* space_group_international_short[] = { "", "P1", "P-1", "P2", "P2", "P2", "P2_1", "P2_1", "P2_1", "C2", "C2", "C2", "C2", "C2", "C2", "C2", "C2", "C2", "Pm", "Pm", "Pm", "Pc", "Pc", "Pc", "Pc", "Pc", "Pc", "Pc", "Pc", "Pc", "Cm", "Cm", "Cm", "Cm", "Cm", "Cm", "Cm", "Cm", "Cm", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "Cc", "P2/m", "P2/m", "P2/m", "P2_1/m", "P2_1/m", "P2_1/m", "C2/m", "C2/m", "C2/m", "C2/m", "C2/m", "C2/m", "C2/m", "C2/m", "C2/m", "P2/c", "P2/c", "P2/c", "P2/c", "P2/c", "P2/c", "P2/c", "P2/c", "P2/c", "P2_1/c", "P2_1/c", "P2_1/c", "P2_1/c", "P2_1/c", "P2_1/c", "P2_1/c", "P2_1/c", "P2_1/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "C2/c", "P222", "P222_1", "P2_122", "P22_12", "P2_12_12", "P22_12_1", "P2_122_1", "P2_12_12_1", "C222_1", "A2_122", "B22_12", "C222", "A222", "B222", "F222", "I222", "I2_12_12_1", "Pmm2", "P2mm", "Pm2m", "Pmc2_1", "Pcm2_1", "P2_1ma", "P2_1am", "Pb2_1m", "Pm2_1b", "Pcc2", "P2aa", "Pb2b", "Pma2", "Pbm2", "P2mb", "P2cm", "Pc2m", "Pm2a", "Pca2_1", "Pbc2_1", "P2_1ab", "P2_1ca", "Pc2_1b", "Pb2_1a", "Pnc2", "Pcn2", "P2na", "P2an", "Pb2n", "Pn2b", "Pmn2_1", "Pnm2_1", "P2_1mn", "P2_1nm", "Pn2_1m", "Pm2_1n", "Pba2", "P2cb", "Pc2a", "Pna2_1", "Pbn2_1", "P2_1nb", "P2_1cn", "Pc2_1n", "Pn2_1a", "Pnn2", "P2nn", "Pn2n", "Cmm2", "A2mm", "Bm2m", "Cmc2_1", "Ccm2_1", "A2_1ma", "A2_1am", "Bb2_1m", "Bm2_1b", "Ccc2", "A2aa", "Bb2b", "Amm2", "Bmm2", "B2mm", "C2mm", "Cm2m", "Am2m", "Aem2", "Bme2", "B2em", "C2me", "Cm2e", "Ae2m", "Ama2", "Bbm2", "B2mb", "C2cm", "Cc2m", "Am2a", "Aea2", "Bbe2", "B2eb", "C2ce", "Cc2e", "Ae2a", "Fmm2", "F2mm", "Fm2m", "Fdd2", "F2dd", "Fd2d", "Imm2", "I2mm", "Im2m", "Iba2", "I2cb", "Ic2a", "Ima2", "Ibm2", "I2mb", "I2cm", "Ic2m", "Im2a", "Pmmm", "Pnnn", "Pnnn", "Pccm", "Pmaa", "Pbmb", "Pban", "Pban", "Pncb", "Pncb", "Pcna", "Pcna", "Pmma", "Pmmb", "Pbmm", "Pcmm", "Pmcm", "Pmam", "Pnna", "Pnnb", "Pbnn", "Pcnn", "Pncn", "Pnan", "Pmna", "Pnmb", "Pbmn", "Pcnm", "Pncm", "Pman", "Pcca", "Pccb", "Pbaa", "Pcaa", "Pbcb", "Pbab", "Pbam", "Pmcb", "Pcma", "Pccn", "Pnaa", "Pbnb", "Pbcm", "Pcam", "Pmca", "Pmab", "Pbma", "Pcmb", "Pnnm", "Pmnn", "Pnmn", "Pmmn", "Pmmn", "Pnmm", "Pnmm", "Pmnm", "Pmnm", "Pbcn", "Pcan", "Pnca", "Pnab", "Pbna", "Pcnb", "Pbca", "Pcab", "Pnma", "Pmnb", "Pbnm", "Pcmn", "Pmcn", "Pnam", "Cmcm", "Ccmm", "Amma", "Amam", "Bbmm", "Bmmb", "Cmce", "Ccme", "Aema", "Aeam", "Bbem", "Bmeb", "Cmmm", "Ammm", "Bmmm", "Cccm", "Amaa", "Bbmb", "Cmme", "Cmme", "Aemm", "Aemm", "Bmem", "Bmem", "Ccce", "Ccce", "Ccce", "Ccce", "Aeaa", "Aeaa", "Aeaa", "Aeaa", "Bbeb", "Bbcb", "Bbeb", "Bbeb", "Fmmm", "Fddd", "Fddd", "Immm", "Ibam", "Imcb", "Icma", "Ibca", "Icab", "Imma", "Immb", "Ibmm", "Icmm", "Imcm", "Imam", "P4", "P4_1", "P4_2", "P4_3", "I4", "I4_1", "P-4", "I-4", "P4/m", "P4_2/m", "P4/n", "P4/n", "P4_2/n", "P4_2/n", "I4/m", "I4_1/a", "I4_1/a", "P422", "P42_12", "P4_122", "P4_12_12", "P4_222", "P4_22_12", "P4_322", "P4_32_12", "I422", "I4_122", "P4mm", "P4bm", "P4_2cm", "P4_2nm", "P4cc", "P4nc", "P4_2mc", "P4_2bc", "I4mm", "I4cm", "I4_1md", "I4_1cd", "P-42m", "P-42c", "P-42_1m", "P-42_1c", "P-4m2", "P-4c2", "P-4b2", "P-4n2", "I-4m2", "I-4c2", "I-42m", "I-42d", "P4/mmm", "P4/mcc", "P4/nbm", "P4/nbm", "P4/nnc", "P4/nnc", "P4/mbm", "P4/mnc", "P4/nmm", "P4/nmm", "P4/ncc", "P4/ncc", "P4_2/mmc", "P4_2/mcm", "P4_2/nbc", "P4_2/nbc", "P4_2/nnm", "P4_2/nnm", "P4_2/mbc", "P4_2/mnm", "P4_2/nmc", "P4_2/nmc", "P4_2/ncm", "P4_2/ncm", "I4/mmm", "I4/mcm", "I4_1/amd", "I4_1/amd", "I4_1/acd", "I4_1/acd", "P3", "P3_1", "P3_2", "R3", "R3", "P-3", "R-3", "R-3", "P312", "P321", "P3_112", "P3_121", "P3_212", "P3_221", "R32", "R32", "P3m1", "P31m", "P3c1", "P31c", "R3m", "R3m", "R3c", "R3c", "P-31m", "P-31c", "P-3m1", "P-3c1", "R-3m", "R-3m", "R-3c", "R-3c", "P6", "P6_1", "P6_5", "P6_2", "P6_4", "P6_3", "P-6", "P6/m", "P6_3/m", "P622", "P6_122", "P6_522", "P6_222", "P6_422", "P6_322", "P6mm", "P6cc", "P6_3cm", "P6_3mc", "P-6m2", "P-6c2", "P-62m", "P-62c", "P6/mmm", "P6/mcc", "P6_3/mcm", "P6_3/mmc", "P23", "F23", "I23", "P2_13", "I2_13", "Pm3", "Pn3", "Pn3", "Fm3", "Fd3", "Fd3", "Im3", "Pa3", "Ia3", "P432", "P4_232", "F432", "F4_132", "I432", "P4_332", "P4_132", "I4_132", "P-43m", "F-43m", "I-43m", "P-43n", "F-43c", "I-43d", "Pm-3m", "Pn-3n", "Pn-3n", "Pm-3n", "Pn-3m", "Pn-3m", "Fm-3m", "Fm-3c", "Fd-3m", "Fd-3m", "Fd-3c", "Fd-3c", "Im-3m", "Ia-3d" }; const char* space_group_setting[] = { "", "", "", "b", "c", "a", "b", "c", "a", "b1", "b2", "b3", "c1", "c2", "c3", "a1", "a2", "a3", "b", "c", "a", "b1", "b2", "b3", "c1", "c2", "c3", "a1", "a2", "a3", "b1", "b2", "b3", "c1", "c2", "c3", "a1", "a2", "a3", "b1", "b2", "b3", "-b1", "-b2", "-b3", "c1", "c2", "c3", "-c1", "-c2", "-c3", "a1", "a2", "a3", "-a1", "-a2", "-a3", "b", "c", "a", "b", "c", "a", "b1", "b2", "b3", "c1", "c2", "c3", "a1", "a2", "a3", "b1", "b2", "b3", "c1", "c2", "c3", "a1", "a2", "a3", "b1", "b2", "b3", "c1", "c2", "c3", "a1", "a2", "a3", "b1", "b2", "b3", "-b1", "-b2", "-b3", "c1", "c2", "c3", "-c1", "-c2", "-c3", "a1", "a2", "a3", "-a1", "-a2", "-a3", "", "", "cab", "bca", "", "cab", "bca", "", "", "cab", "bca", "", "cab", "bca", "", "", "", "", "cab", "bca", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "cab", "bca", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "cab", "bca", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "cab", "bca", "", "cab", "bca", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "cab", "bca", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "cab", "bca", "", "cab", "bca", "", "cab", "bca", "", "cab", "bca", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "1", "2", "", "cab", "bca", "1", "2", "1cab", "2cab", "1bca", "2bca", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "cab", "bca", "", "cab", "bca", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "cab", "bca", "1", "2", "1cab", "2cab", "1bca", "2bca", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "cab", "bca", "", "cab", "bca", "", "ba-c", "cab", "-cba", "bca", "a-cb", "1", "2", "1ba-c", "2ba-c", "1cab", "2cab", "1-cba", "2-cba", "1bca", "2bca", "1a-cb", "2a-cb", "", "1", "2", "", "", "cab", "bca", "", "ba-c", "", "ba-c", "cab", "-cba", "bca", "a-cb", "", "", "", "", "", "", "", "", "", "", "1", "2", "1", "2", "", "1", "2", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "1", "2", "1", "2", "", "", "1", "2", "1", "2", "", "", "1", "2", "1", "2", "", "", "1", "2", "1", "2", "", "", "1", "2", "1", "2", "", "", "", "H", "R", "", "H", "R", "", "", "", "", "", "", "H", "R", "", "", "", "", "H", "R", "H", "R", "", "", "", "", "H", "R", "H", "R", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "1", "2", "", "1", "2", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "", "1", "2", "", "1", "2", "", "", "1", "2", "1", "2", "", "" }; const char* space_group_transforms[] = { "", "x,y,z", "x,y,z -x,-y,-z", "x,y,z -x,y,-z", "x,y,z -x,-y,z", "x,y,z x,-y,-z", "x,y,z -x,1/2+y,-z", "x,y,z -x,-y,1/2+z", "x,y,z 1/2+x,-y,-z", "x,y,z -x,y,-z 1/2+x,1/2+y,z 1/2-x,1/2+y,-z", "x,y,z -x,y,-z x,1/2+y,1/2+z -x,1/2+y,1/2-z", "x,y,z -x,y,-z 1/2+x,1/2+y,1/2+z 1/2-x,1/2+y,1/2-z", "x,y,z -x,-y,z x,1/2+y,1/2+z -x,1/2-y,1/2+z", "x,y,z -x,-y,z 1/2+x,y,1/2+z 1/2-x,-y,1/2+z", "x,y,z -x,-y,z 1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z", "x,y,z x,-y,-z 1/2+x,y,1/2+z 1/2+x,-y,1/2-z", "x,y,z x,-y,-z 1/2+x,1/2+y,z 1/2+x,1/2-y,-z", "x,y,z x,-y,-z 1/2+x,1/2+y,1/2+z 1/2+x,1/2-y,1/2-z", "x,y,z x,-y,z", "x,y,z x,y,-z", "x,y,z -x,y,z", "x,y,z x,-y,1/2+z", "x,y,z 1/2+x,-y,1/2+z", "x,y,z 1/2+x,-y,z", "x,y,z 1/2+x,y,-z", "x,y,z 1/2+x,1/2+y,-z", "x,y,z x,1/2+y,-z", "x,y,z -x,1/2+y,z", "x,y,z -x,1/2+y,1/2+z", "x,y,z -x,y,1/2+z", "x,y,z x,-y,z 1/2+x,1/2+y,z 1/2+x,1/2-y,z", "x,y,z x,-y,z x,1/2+y,1/2+z x,1/2-y,1/2+z", "x,y,z x,-y,z 1/2+x,1/2+y,1/2+z 1/2+x,1/2-y,1/2+z", "x,y,z x,y,-z x,1/2+y,1/2+z x,1/2+y,1/2-z", "x,y,z x,y,-z 1/2+x,y,1/2+z 1/2+x,y,1/2-z", "x,y,z x,y,-z 1/2+x,1/2+y,1/2+z 1/2+x,1/2+y,1/2-z", "x,y,z -x,y,z 1/2+x,y,1/2+z 1/2-x,y,1/2+z", "x,y,z -x,y,z 1/2+x,1/2+y,z 1/2-x,1/2+y,z", "x,y,z -x,y,z 1/2+x,1/2+y,1/2+z 1/2-x,1/2+y,1/2+z", "x,y,z x,-y,1/2+z 1/2+x,1/2+y,z 1/2+x,1/2-y,1/2+z", "x,y,z 1/2+x,-y,1/2+z x,1/2+y,1/2+z 1/2+x,1/2-y,z", "x,y,z 1/2+x,-y,z 1/2+x,1/2+y,1/2+z x,1/2-y,1/2+z", "x,y,z 1/2+x,-y,z x,1/2+y,1/2+z 1/2+x,1/2-y,1/2+z", "x,y,z 1/2+x,-y,1/2+z 1/2+x,1/2+y,z x,1/2-y,1/2+z", "x,y,z x,-y,1/2+z 1/2+x,1/2+y,1/2+z 1/2+x,1/2-y,z", "x,y,z 1/2+x,y,-z x,1/2+y,1/2+z 1/2+x,1/2+y,1/2-z", "x,y,z x,1/2+y,1/2-z 1/2+x,y,1/2+z 1/2+x,1/2+y,-z", "x,y,z x,1/2+y,-z 1/2+x,1/2+y,1/2+z 1/2+x,y,1/2-z", "x,y,z x,1/2+y,-z 1/2+x,y,1/2+z 1/2+x,1/2+y,1/2-z", "x,y,z 1/2+x,1/2+y,-z x,1/2+y,1/2+z 1/2+x,y,1/2-z", "x,y,z 1/2+x,y,-z 1/2+x,1/2+y,1/2+z x,1/2+y,1/2-z", "x,y,z -x,1/2+y,z 1/2+x,y,1/2+z 1/2-x,1/2+y,1/2+z", "x,y,z -x,1/2+y,1/2+z 1/2+x,1/2+y,z 1/2-x,y,1/2+z", "x,y,z -x,y,1/2+z 1/2+x,1/2+y,1/2+z 1/2-x,1/2+y,z", "x,y,z -x,y,1/2+z 1/2+x,1/2+y,z 1/2-x,1/2+y,1/2+z", "x,y,z -x,1/2+y,1/2+z 1/2+x,y,1/2+z 1/2-x,1/2+y,z", "x,y,z -x,1/2+y,z 1/2+x,1/2+y,1/2+z 1/2-x,y,1/2+z", "x,y,z -x,y,-z -x,-y,-z x,-y,z", "x,y,z -x,-y,z -x,-y,-z x,y,-z", "x,y,z x,-y,-z -x,-y,-z -x,y,z", "x,y,z -x,1/2+y,-z -x,-y,-z x,1/2-y,z", "x,y,z -x,-y,1/2+z -x,-y,-z x,y,1/2-z", "x,y,z 1/2+x,-y,-z -x,-y,-z 1/2-x,y,z", "x,y,z -x,y,-z -x,-y,-z x,-y,z " "1/2+x,1/2+y,z 1/2-x,1/2+y,-z " "1/2-x,1/2-y,-z 1/2+x,1/2-y,z", "x,y,z -x,y,-z -x,-y,-z x,-y,z x,1/2+y,1/2+z -x,1/2+y,1/2-z -x,1/2-y,1/2-z " "x,1/2-y,1/2+z", "x,y,z -x,y,-z -x,-y,-z x,-y,z 1/2+x,1/2+y,1/2+z 1/2+x,1/2-y,1/2+z " "1/2-x,1/2+y,1/2-z 1/2-x,1/2-y,1/2-z", "x,y,z -x,-y,z -x,-y,-z x,y,-z x,1/2+y,1/2+z -x,1/2-y,1/2+z -x,1/2-y,1/2-z " "x,1/2+y,1/2-z", "x,y,z -x,-y,z -x,-y,-z x,y,-z 1/2+x,y,1/2+z 1/2-x,-y,1/2+z 1/2-x,-y,1/2-z " "1/2+x,y,1/2-z", "x,y,z -x,-y,z -x,-y,-z x,y,-z 1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z " "1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z", "x,y,z x,-y,-z -x,-y,-z -x,y,z 1/2+x,y,1/2+z 1/2+x,-y,1/2-z 1/2-x,-y,1/2-z " "1/2-x,y,1/2+z", "x,y,z x,-y,-z -x,-y,-z -x,y,z 1/2+x,1/2+y,z 1/2+x,1/2-y,-z 1/2-x,1/2-y,-z " "1/2-x,1/2+y,z", "x,y,z x,-y,-z -x,-y,-z -x,y,z 1/2+x,1/2+y,1/2+z 1/2+x,1/2-y,1/2-z " "1/2-x,1/2-y,1/2-z 1/2-x,1/2+y,1/2+z", "x,y,z -x,y,1/2-z -x,-y,-z x,-y,1/2+z", "x,y,z 1/2-x,y,1/2-z -x,-y,-z 1/2+x,-y,1/2+z", "x,y,z 1/2-x,y,-z -x,-y,-z 1/2+x,-y,z", "x,y,z 1/2-x,-y,z -x,-y,-z 1/2+x,y,-z", "x,y,z 1/2-x,1/2-y,z -x,-y,-z 1/2+x,1/2+y,-z", "x,y,z -x,1/2-y,z -x,-y,-z x,1/2+y,-z", "x,y,z x,1/2-y,-z -x,-y,-z -x,1/2+y,z", "x,y,z x,1/2-y,1/2-z -x,-y,-z -x,1/2+y,1/2+z", "x,y,z x,-y,1/2-z -x,-y,-z -x,y,1/2+z", "x,y,z -x,1/2+y,1/2-z -x,-y,-z x,1/2-y,1/2+z", "x,y,z 1/2-x,1/2+y,1/2-z -x,-y,-z 1/2+x,1/2-y,1/2+z", "x,y,z 1/2-x,1/2+y,-z -x,-y,-z 1/2+x,1/2-y,z", "x,y,z 1/2-x,-y,1/2+z -x,-y,-z 1/2+x,y,1/2-z", "x,y,z 1/2-x,1/2-y,1/2+z -x,-y,-z 1/2+x,1/2+y,1/2-z", "x,y,z -x,1/2-y,1/2+z -x,-y,-z x,1/2+y,1/2-z", "x,y,z 1/2+x,1/2-y,-z -x,-y,-z 1/2-x,1/2+y,z", "x,y,z 1/2+x,1/2-y,1/2-z -x,-y,-z 1/2-x,1/2+y,1/2+z", "x,y,z 1/2+x,-y,1/2-z -x,-y,-z 1/2-x,y,1/2+z", "x,y,z -x,y,1/2-z -x,-y,-z x,-y,1/2+z 1/2+x,1/2+y,z 1/2-x,1/2+y,1/2-z " "1/2-x,1/2-y,-z 1/2+x,1/2-y,1/2+z", "x,y,z 1/2-x,y,1/2-z -x,-y,-z 1/2+x,-y,1/2+z x,1/2+y,1/2+z 1/2-x,1/2+y,-z " "-x,1/2-y,1/2-z 1/2+x,1/2-y,z", "x,y,z 1/2-x,y,-z -x,-y,-z 1/2+x,-y,z 1/2+x,1/2+y,1/2+z -x,1/2+y,1/2-z " "1/2-x,1/2-y,1/2-z x,1/2-y,1/2+z", "x,y,z 1/2-x,y,-z -x,-y,-z 1/2+x,-y,z x,1/2+y,1/2+z 1/2-x,1/2+y,1/2-z " "-x,1/2-y,1/2-z 1/2+x,1/2-y,1/2+z", "x,y,z 1/2-x,y,1/2-z -x,-y,-z 1/2+x,-y,1/2+z 1/2+x,1/2+y,z -x,1/2+y,1/2-z " "1/2-x,1/2-y,-z x,1/2-y,1/2+z", "x,y,z -x,y,1/2-z -x,-y,-z x,-y,1/2+z 1/2+x,1/2+y,1/2+z 1/2-x,1/2+y,-z " "1/2-x,1/2-y,1/2-z 1/2+x,1/2-y,z", "x,y,z 1/2-x,-y,z -x,-y,-z 1/2+x,y,-z x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z " "-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z", "x,y,z 1/2-x,1/2-y,z -x,-y,-z 1/2+x,1/2+y,-z 1/2+x,y,1/2+z -x,1/2-y,1/2+z " "1/2-x,-y,1/2-z x,1/2+y,1/2-z", "x,y,z -x,1/2-y,z -x,-y,-z x,1/2+y,-z 1/2+x,1/2+y,1/2+z 1/2-x,-y,1/2+z " "1/2-x,1/2-y,1/2-z 1/2+x,y,1/2-z", "x,y,z -x,1/2-y,z -x,-y,-z x,1/2+y,-z 1/2+x,y,1/2+z 1/2-x,1/2-y,1/2+z " "1/2-x,-y,1/2-z 1/2+x,1/2+y,1/2-z", "x,y,z 1/2-x,1/2-y,z -x,-y,-z 1/2+x,1/2+y,-z x,1/2+y,1/2+z 1/2-x,-y,1/2+z " "-x,1/2-y,1/2-z 1/2+x,y,1/2-z", "x,y,z 1/2-x,-y,z -x,-y,-z 1/2+x,y,-z 1/2+x,1/2+y,1/2+z -x,1/2-y,1/2+z " "1/2-x,1/2-y,1/2-z x,1/2+y,1/2-z", "x,y,z x,1/2-y,-z -x,-y,-z -x,1/2+y,z 1/2+x,y,1/2+z 1/2+x,1/2-y,1/2-z " "1/2-x,-y,1/2-z 1/2-x,1/2+y,1/2+z", "x,y,z x,1/2-y,1/2-z -x,-y,-z -x,1/2+y,1/2+z 1/2+x,1/2+y,z 1/2+x,-y,1/2-z " "1/2-x,1/2-y,-z 1/2-x,y,1/2+z", "x,y,z x,-y,1/2-z -x,-y,-z -x,y,1/2+z 1/2+x,1/2+y,1/2+z 1/2+x,1/2-y,-z " "1/2-x,1/2-y,1/2-z 1/2-x,1/2+y,z", "x,y,z x,-y,1/2-z -x,-y,-z -x,y,1/2+z 1/2+x,1/2+y,z 1/2+x,1/2-y,1/2-z " "1/2-x,1/2-y,-z 1/2-x,1/2+y,1/2+z", "x,y,z x,1/2-y,1/2-z -x,-y,-z -x,1/2+y,1/2+z 1/2+x,y,1/2+z 1/2+x,1/2-y,-z " "1/2-x,-y,1/2-z 1/2-x,1/2+y,z", "x,y,z x,1/2-y,-z -x,-y,-z -x,1/2+y,z 1/2+x,1/2+y,1/2+z 1/2+x,-y,1/2-z " "1/2-x,1/2-y,1/2-z 1/2-x,y,1/2+z", "x,y,z -x,-y,z -x,y,-z x,-y,-z", "x,y,z -x,-y,1/2+z -x,y,1/2-z x,-y,-z", "x,y,z 1/2+x,-y,-z 1/2-x,-y,z -x,y,-z", "x,y,z -x,1/2+y,-z x,1/2-y,-z -x,-y,z", "x,y,z -x,-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z", "x,y,z x,-y,-z -x,1/2-y,1/2+z -x,1/2+y,1/2-z", "x,y,z -x,y,-z 1/2+x,-y,1/2-z 1/2-x,-y,1/2+z", "x,y,z 1/2-x,-y,1/2+z -x,1/2+y,1/2-z 1/2+x,1/2-y,-z", "x,y,z -x,-y,1/2+z -x,y,1/2-z x,-y,-z 1/2+x,1/2+y,z 1/2-x,1/2-y,1/2+z " "1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,-z", "x,y,z 1/2+x,-y,-z 1/2-x,-y,z -x,y,-z x,1/2+y,1/2+z 1/2+x,1/2-y,1/2-z " 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1/2+x,-y,1/2-z 1/2+x,y,-z " "1/2+x,-y,z", "x,y,z x,-y,-z x,1/2-y,z x,1/2+y,-z 1/2+x,1/2+y,z 1/2+x,1/2-y,-z 1/2+x,-y,z " "1/2+x,y,-z", "x,y,z -x,y,-z 1/2-x,y,z 1/2+x,y,-z 1/2+x,1/2+y,z 1/2-x,1/2+y,-z -x,1/2+y,z " "x,1/2+y,-z", "x,y,z -x,y,-z x,y,1/2-z -x,y,1/2+z x,1/2+y,1/2+z -x,1/2+y,1/2-z x,1/2+y,-z " "-x,1/2+y,z", "x,y,z -x,-y,z 1/2+x,-y,z 1/2-x,y,z x,1/2+y,1/2+z -x,1/2-y,1/2+z " "1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z", "x,y,z -x,-y,z -x,1/2+y,z x,1/2-y,z 1/2+x,y,1/2+z 1/2-x,-y,1/2+z " "1/2-x,1/2+y,1/2+z 1/2+x,1/2-y,1/2+z", "x,y,z x,-y,-z x,1/2+y,-z x,1/2-y,z 1/2+x,y,1/2+z 1/2+x,-y,1/2-z " "1/2+x,1/2+y,1/2-z 1/2+x,1/2-y,1/2+z", "x,y,z x,-y,-z x,-y,1/2+z x,y,1/2-z 1/2+x,1/2+y,z 1/2+x,1/2-y,-z " "1/2+x,1/2-y,1/2+z 1/2+x,1/2+y,1/2-z", "x,y,z -x,y,-z -x,y,1/2+z x,y,1/2-z 1/2+x,1/2+y,z 1/2-x,1/2+y,-z " "1/2-x,1/2+y,1/2+z 1/2+x,1/2+y,1/2-z", "x,y,z -x,y,-z 1/2+x,y,-z 1/2-x,y,z x,1/2+y,1/2+z -x,1/2+y,1/2-z " "1/2+x,1/2+y,1/2-z 1/2-x,1/2+y,1/2+z", "x,y,z -x,-y,z 1/2+x,1/2-y,z 1/2-x,1/2+y,z x,1/2+y,1/2+z -x,1/2-y,1/2+z " "1/2+x,-y,1/2+z 1/2-x,y,1/2+z", "x,y,z -x,-y,z 1/2-x,1/2+y,z 1/2+x,1/2-y,z 1/2+x,y,1/2+z 1/2-x,-y,1/2+z " "-x,1/2+y,1/2+z x,1/2-y,1/2+z", "x,y,z x,-y,-z x,1/2+y,1/2-z x,1/2-y,1/2+z 1/2+x,y,1/2+z 1/2+x,-y,1/2-z " "1/2+x,1/2+y,-z 1/2+x,1/2-y,z", "x,y,z x,-y,-z x,1/2-y,1/2+z x,1/2+y,1/2-z 1/2+x,1/2+y,z 1/2+x,1/2-y,-z " "1/2+x,-y,1/2+z 1/2+x,y,1/2-z", "x,y,z -x,y,-z 1/2-x,y,1/2+z 1/2+x,y,1/2-z 1/2+x,1/2+y,z 1/2-x,1/2+y,-z " "-x,1/2+y,1/2+z x,1/2+y,1/2-z", "x,y,z -x,y,-z 1/2+x,y,1/2-z 1/2-x,y,1/2+z x,1/2+y,1/2+z -x,1/2+y,1/2-z " "1/2+x,1/2+y,-z 1/2-x,1/2+y,z", "x,y,z -x,-y,z x,-y,z -x,y,z x,1/2+y,1/2+z -x,1/2-y,1/2+z x,1/2-y,1/2+z " "-x,1/2+y,1/2+z 1/2+x,y,1/2+z 1/2-x,-y,1/2+z 1/2+x,-y,1/2+z 1/2-x,y,1/2+z " "1/2+x,1/2+y,z 1/2-x,1/2-y,z 1/2+x,1/2-y,z 1/2-x,1/2+y,z", "x,y,z x,-y,-z x,y,-z x,-y,z 1/2+x,y,1/2+z 1/2+x,-y,1/2-z 1/2+x,y,1/2-z " "1/2+x,-y,1/2+z 1/2+x,1/2+y,z 1/2+x,1/2-y,-z 1/2+x,1/2+y,-z 1/2+x,1/2-y,z " "x,1/2+y,1/2+z x,1/2-y,1/2-z x,1/2+y,1/2-z x,1/2-y,1/2+z", "x,y,z -x,y,-z -x,y,z x,y,-z 1/2+x,1/2+y,z 1/2-x,1/2+y,-z 1/2-x,1/2+y,z " "1/2+x,1/2+y,-z x,1/2+y,1/2+z -x,1/2+y,1/2-z -x,1/2+y,1/2+z x,1/2+y,1/2-z " "1/2+x,y,1/2+z 1/2-x,y,1/2-z 1/2-x,y,1/2+z 1/2+x,y,1/2-z", "x,y,z -x,-y,z 1/4+x,1/4-y,1/4+z 1/4-x,1/4+y,1/4+z 1/2+x,y,1/2+z " "1/2-x,-y,1/2+z 3/4+x,1/4-y,3/4+z 3/4-x,1/4+y,3/4+z x,1/2+y,1/2+z " "-x,1/2-y,1/2+z 1/4+x,3/4-y,3/4+z 1/4-x,3/4+y,3/4+z 1/2+x,1/2+y,z " "1/2-x,1/2-y,z 3/4+x,3/4-y,1/4+z 3/4-x,3/4+y,1/4+z", "x,y,z x,-y,-z 1/4+x,1/4+y,1/4-z 1/4+x,1/4-y,1/4+z 1/2+x,1/2+y,z " "1/2+x,1/2-y,-z 3/4+x,3/4+y,1/4-z 3/4+x,3/4-y,1/4+z 1/2+x,y,1/2+z " "1/2+x,-y,1/2-z 3/4+x,1/4+y,3/4-z 3/4+x,1/4-y,3/4+z x,1/2+y,1/2+z " "x,1/2-y,1/2-z 1/4+x,3/4+y,3/4-z 1/4+x,3/4-y,3/4+z", "x,y,z -x,y,-z 1/4-x,1/4+y,1/4+z 1/4+x,1/4+y,1/4-z x,1/2+y,1/2+z " "-x,1/2+y,1/2-z 1/4-x,3/4+y,3/4+z 1/4+x,3/4+y,3/4-z 1/2+x,1/2+y,z " "1/2-x,1/2+y,-z 3/4-x,3/4+y,1/4+z 3/4+x,3/4+y,1/4-z 1/2+x,y,1/2+z " "1/2-x,y,1/2-z 3/4-x,1/4+y,3/4+z 3/4+x,1/4+y,3/4-z", "x,y,z 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1/2+x,1/2-y,1/2-z " "1/2+x,1/2-y,z 1/2+x,1/2+y,-z", "x,y,z -x,y,-z -x,y,1/2+z x,y,1/2-z 1/2+x,1/2+y,1/2+z 1/2-x,1/2+y,1/2-z " "1/2-x,1/2+y,z 1/2+x,1/2+y,-z", "x,y,z -x,y,-z 1/2+x,y,-z 1/2-x,y,z 1/2+x,1/2+y,1/2+z 1/2-x,1/2+y,1/2-z " "x,1/2+y,1/2-z -x,1/2+y,1/2+z", "x,y,z -x,-y,z -x,y,-z x,-y,-z -x,-y,-z x,y,-z x,-y,z -x,y,z", "x,y,z -x,-y,z -x,y,-z x,-y,-z 1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z " "1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z", "x,y,z 1/2-x,1/2-y,z 1/2-x,y,1/2-z x,1/2-y,1/2-z -x,-y,-z 1/2+x,1/2+y,-z " "1/2+x,-y,1/2+z -x,1/2+y,1/2+z", "x,y,z -x,-y,z -x,y,1/2-z x,-y,1/2-z -x,-y,-z x,y,-z x,-y,1/2+z -x,y,1/2+z", "x,y,z x,-y,-z 1/2-x,-y,z 1/2-x,y,-z -x,-y,-z -x,y,z 1/2+x,y,-z 1/2+x,-y,z", "x,y,z -x,y,-z x,1/2-y,-z -x,1/2-y,z -x,-y,-z x,-y,z -x,1/2+y,z x,1/2+y,-z", "x,y,z -x,-y,z -x,y,-z x,-y,-z 1/2-x,1/2-y,-z 1/2+x,1/2+y,-z 1/2+x,1/2-y,z " "1/2-x,1/2+y,z", "x,y,z 1/2-x,1/2-y,z 1/2-x,y,-z x,1/2-y,-z -x,-y,-z 1/2+x,1/2+y,-z " "1/2+x,-y,z -x,1/2+y,z", "x,y,z -x,1/2+y,1/2+z x,1/2-y,1/2+z x,1/2+y,1/2-z -x,1/2-y,1/2-z x,-y,-z " "-x,y,-z -x,-y,z", "x,y,z -x,1/2+y,1/2+z x,-y,1/2+z x,1/2+y,-z x,1/2-y,1/2-z -x,-y,-z " "-x,y,1/2-z -x,1/2-y,z", "x,y,z 1/2-x,y,1/2+z 1/2+x,-y,1/2+z 1/2+x,y,1/2-z 1/2-x,-y,1/2-z x,-y,-z " "-x,y,-z -x,-y,z", "x,y,z -x,y,1/2+z 1/2+x,-y,1/2+z 1/2+x,y,-z x,-y,1/2-z -x,-y,-z " "1/2-x,y,1/2-z 1/2-x,-y,z", "x,y,z 1/2-x,-y,z -x,y,-z 1/2+x,-y,-z -x,-y,-z 1/2+x,y,-z x,-y,z 1/2-x,y,z", "x,y,z -x,1/2-y,z x,-y,-z -x,1/2+y,-z -x,-y,-z x,1/2+y,-z -x,y,z x,1/2-y,z", "x,y,z x,1/2-y,-z -x,-y,z -x,1/2+y,-z -x,-y,-z -x,1/2+y,z x,y,-z x,1/2-y,z", "x,y,z x,-y,1/2-z -x,y,-z -x,-y,1/2+z -x,-y,-z -x,y,1/2+z x,-y,z x,y,1/2-z", "x,y,z -x,y,1/2-z x,-y,-z -x,-y,1/2+z -x,-y,-z x,-y,1/2+z -x,y,z x,y,1/2-z", "x,y,z 1/2-x,y,-z -x,-y,z 1/2+x,-y,-z -x,-y,-z 1/2+x,-y,z x,y,-z 1/2-x,y,z", "x,y,z 1/2-x,-y,z 1/2-x,1/2+y,1/2-z x,1/2-y,1/2-z -x,-y,-z 1/2+x,y,-z " "1/2+x,1/2-y,1/2+z -x,1/2+y,1/2+z", "x,y,z -x,1/2-y,z 1/2+x,1/2-y,1/2-z 1/2-x,y,1/2-z -x,-y,-z x,1/2+y,-z " "1/2-x,1/2+y,1/2+z 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"1/2+x,1/2+y,-z -x,y,z", "x,y,z 1/2-x,-y,z -x,y,1/2-z 1/2+x,-y,1/2-z -x,-y,-z 1/2+x,y,-z x,-y,1/2+z " "1/2-x,y,1/2+z", "x,y,z -x,1/2-y,z x,-y,1/2-z -x,1/2+y,1/2-z -x,-y,-z x,1/2+y,-z -x,y,1/2+z " "x,1/2-y,1/2+z", "x,y,z x,1/2-y,-z 1/2-x,-y,z 1/2-x,1/2+y,-z -x,-y,-z -x,1/2+y,z 1/2+x,y,-z " "1/2+x,1/2-y,z", "x,y,z x,-y,1/2-z 1/2-x,y,-z 1/2-x,-y,1/2+z -x,-y,-z -x,y,1/2+z 1/2+x,-y,z " "1/2+x,y,1/2-z", "x,y,z -x,y,1/2-z x,1/2-y,-z -x,1/2-y,1/2+z -x,-y,-z x,-y,1/2+z -x,1/2+y,z " "x,1/2+y,1/2-z", "x,y,z 1/2-x,y,-z -x,1/2-y,z 1/2+x,1/2-y,-z -x,-y,-z 1/2+x,-y,z x,1/2+y,-z " "1/2-x,1/2+y,z", "x,y,z -x,-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z -x,-y,-z x,y,-z 1/2+x,1/2-y,z " "1/2-x,1/2+y,z", "x,y,z x,-y,-z -x,1/2-y,1/2+z -x,1/2+y,1/2-z -x,-y,-z -x,y,z x,1/2+y,1/2-z " "x,1/2-y,1/2+z", "x,y,z -x,y,-z 1/2+x,-y,1/2-z 1/2-x,-y,1/2+z -x,-y,-z x,-y,z 1/2-x,y,1/2+z " "1/2+x,y,1/2-z", "x,y,z 1/2-x,1/2-y,z -x,1/2+y,1/2-z 1/2+x,-y,1/2-z -x,-y,-z 1/2+x,1/2+y,-z " "x,1/2-y,1/2+z 1/2-x,y,1/2+z", "x,y,z x,1/2-y,1/2-z 1/2-x,-y,1/2+z 1/2-x,1/2+y,-z -x,-y,-z -x,1/2+y,1/2+z " "1/2+x,y,1/2-z 1/2+x,1/2-y,z", "x,y,z 1/2-x,y,1/2-z 1/2+x,1/2-y,-z -x,1/2-y,1/2+z -x,-y,-z 1/2+x,-y,1/2+z " "1/2-x,1/2+y,z x,1/2+y,1/2-z", "x,y,z -x,-y,1/2+z -x,1/2+y,1/2-z x,1/2-y,-z -x,-y,-z x,y,1/2-z " "x,1/2-y,1/2+z -x,1/2+y,z", "x,y,z -x,-y,1/2+z 1/2+x,-y,1/2-z 1/2-x,y,-z -x,-y,-z x,y,1/2-z " "1/2-x,y,1/2+z 1/2+x,-y,z", "x,y,z 1/2+x,-y,-z 1/2-x,-y,1/2+z -x,y,1/2-z -x,-y,-z 1/2-x,y,z " "1/2+x,y,1/2-z x,-y,1/2+z", "x,y,z 1/2+x,-y,-z 1/2-x,1/2+y,-z -x,1/2-y,z -x,-y,-z 1/2-x,y,z " "1/2+x,1/2-y,z x,1/2+y,-z", "x,y,z -x,1/2+y,-z 1/2+x,1/2-y,-z 1/2-x,-y,z -x,-y,-z x,1/2-y,z " "1/2-x,1/2+y,z 1/2+x,y,-z", "x,y,z -x,1/2+y,-z -x,1/2-y,1/2+z x,-y,1/2-z -x,-y,-z x,1/2-y,z " "x,1/2+y,1/2-z -x,y,1/2+z", "x,y,z -x,-y,z 1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,1/2-z -x,-y,-z x,y,-z " "1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z", "x,y,z x,-y,-z 1/2-x,1/2-y,1/2+z 1/2-x,1/2+y,1/2-z -x,-y,-z -x,y,z " "1/2+x,1/2+y,1/2-z 1/2+x,1/2-y,1/2+z", "x,y,z -x,y,-z 1/2+x,1/2-y,1/2-z 1/2-x,1/2-y,1/2+z -x,-y,-z x,-y,z " "1/2-x,1/2+y,1/2+z 1/2+x,1/2+y,1/2-z", "x,y,z -x,-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z 1/2-x,1/2-y,-z 1/2+x,1/2+y,-z " "x,-y,z -x,y,z", "x,y,z 1/2-x,1/2-y,z -x,1/2+y,-z 1/2+x,-y,-z -x,-y,-z 1/2+x,1/2+y,-z " "x,1/2-y,z 1/2-x,y,z", "x,y,z -x,1/2+y,1/2+z x,-y,z x,y,-z -x,1/2-y,1/2-z x,-y,-z -x,1/2+y,1/2-z " "-x,1/2-y,1/2+z", "x,y,z -x,1/2+y,1/2+z x,1/2-y,z x,y,1/2-z -x,-y,-z x,1/2-y,1/2-z -x,1/2+y,-z " "-x,-y,1/2+z", "x,y,z -x,y,z 1/2+x,-y,1/2+z x,y,-z 1/2-x,-y,1/2-z 1/2+x,-y,1/2-z -x,y,-z " "1/2-x,-y,1/2+z", "x,y,z 1/2-x,y,z 1/2+x,-y,1/2+z x,y,1/2-z -x,-y,-z 1/2+x,-y,-z 1/2-x,y,1/2-z " "-x,-y,1/2+z", "x,y,z 1/2-x,1/2-y,1/2+z -x,y,1/2-z 1/2+x,1/2-y,-z -x,-y,-z " "1/2+x,1/2+y,1/2-z x,-y,1/2+z 1/2-x,1/2+y,z", "x,y,z 1/2-x,1/2-y,1/2+z x,-y,1/2-z 1/2-x,1/2+y,-z -x,-y,-z " "1/2+x,1/2+y,1/2-z -x,y,1/2+z 1/2+x,1/2-y,z", "x,y,z 1/2+x,1/2-y,1/2-z 1/2-x,-y,z -x,1/2+y,1/2-z -x,-y,-z " "1/2-x,1/2+y,1/2+z 1/2+x,y,-z x,1/2-y,1/2+z", "x,y,z 1/2+x,1/2-y,1/2-z 1/2-x,y,-z -x,1/2-y,1/2+z -x,-y,-z " "1/2-x,1/2+y,1/2+z 1/2+x,-y,z x,1/2+y,1/2-z", "x,y,z 1/2-x,1/2+y,1/2-z x,1/2-y,-z 1/2-x,-y,1/2+z -x,-y,-z " "1/2+x,1/2-y,1/2+z -x,1/2+y,z 1/2+x,y,1/2-z", "x,y,z 1/2-x,1/2+y,1/2-z -x,1/2-y,z 1/2+x,-y,1/2-z -x,-y,-z " "1/2+x,1/2-y,1/2+z x,1/2+y,-z 1/2-x,y,1/2+z", "x,y,z 1/2-x,-y,1/2+z -x,1/2+y,1/2-z 1/2+x,1/2-y,-z -x,-y,-z 1/2+x,y,1/2-z " "x,1/2-y,1/2+z 1/2-x,1/2+y,z", "x,y,z -x,1/2-y,1/2+z 1/2+x,-y,1/2-z 1/2-x,1/2+y,-z -x,-y,-z x,1/2+y,1/2-z " "1/2-x,y,1/2+z 1/2+x,1/2-y,z", "x,y,z 1/2-x,-y,1/2+z -x,1/2+y,-z 1/2+x,1/2-y,1/2-z -x,-y,-z 1/2+x,y,1/2-z " "x,1/2-y,z 1/2-x,1/2+y,1/2+z", "x,y,z -x,1/2-y,1/2+z 1/2+x,-y,-z 1/2-x,1/2+y,1/2-z -x,-y,-z x,1/2+y,1/2-z " "1/2-x,y,z 1/2+x,1/2-y,1/2+z", "x,y,z 1/2+x,1/2-y,-z -x,-y,1/2+z 1/2-x,1/2+y,1/2-z -x,-y,-z 1/2-x,1/2+y,z " "x,y,1/2-z 1/2+x,1/2-y,1/2+z", "x,y,z 1/2+x,-y,1/2-z -x,1/2+y,-z 1/2-x,1/2-y,1/2+z -x,-y,-z 1/2-x,y,1/2+z " "x,1/2-y,z 1/2+x,1/2+y,1/2-z", "x,y,z 1/2-x,y,z x,1/2-y,1/2+z 1/2+x,1/2+y,1/2-z -x,-y,-z 1/2+x,-y,-z " "-x,1/2+y,1/2-z 1/2-x,1/2-y,1/2+z", "x,y,z 1/2-x,1/2+y,1/2+z 1/2+x,1/2-y,z x,y,1/2-z -x,-y,-z 1/2+x,1/2-y,1/2-z " "1/2-x,1/2+y,-z -x,-y,1/2+z", "x,y,z -x,-y,1/2+z -x,y,1/2-z x,-y,-z -x,-y,-z x,y,1/2-z x,-y,1/2+z -x,y,z " "1/2+x,1/2+y,z 1/2-x,1/2-y,1/2+z 1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,-z " "1/2-x,1/2-y,-z 1/2+x,1/2+y,1/2-z 1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,z", "x,y,z -x,y,1/2+z x,-y,z x,y,1/2-z -x,-y,-z x,-y,1/2-z -x,y,-z -x,-y,1/2+z " "1/2+x,1/2+y,z 1/2-x,1/2+y,1/2+z 1/2+x,1/2-y,z 1/2+x,1/2-y,1/2-z " "1/2-x,1/2-y,-z 1/2+x,1/2+y,1/2-z 1/2-x,1/2+y,-z 1/2-x,1/2-y,1/2+z", "x,y,z 1/2-x,y,z x,-y,z 1/2+x,-y,-z -x,-y,-z 1/2+x,y,-z -x,y,-z 1/2-x,-y,z " "x,1/2+y,1/2+z 1/2-x,1/2+y,1/2+z x,1/2-y,1/2+z 1/2+x,1/2-y,1/2-z " "-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z -x,1/2+y,1/2-z 1/2-x,1/2-y,1/2+z", "x,y,z 1/2-x,y,z 1/2+x,-y,z x,y,-z -x,-y,-z 1/2+x,-y,-z 1/2-x,y,-z -x,-y,z " "x,1/2+y,1/2+z 1/2-x,1/2+y,1/2+z 1/2+x,1/2-y,1/2+z x,1/2+y,1/2-z " "-x,1/2-y,1/2-z 1/2+x,1/2-y,1/2-z 1/2-x,1/2+y,1/2-z -x,1/2-y,1/2+z", "x,y,z -x,1/2+y,z x,1/2-y,z x,y,-z -x,-y,-z x,1/2-y,-z -x,1/2+y,-z -x,-y,z " "1/2+x,y,1/2+z 1/2-x,1/2+y,1/2+z 1/2+x,1/2-y,1/2+z 1/2+x,y,1/2-z " "1/2-x,-y,1/2-z 1/2+x,1/2-y,1/2-z 1/2-x,1/2+y,1/2-z 1/2-x,-y,1/2+z", "x,y,z -x,y,z x,1/2-y,z x,1/2+y,-z -x,-y,-z x,-y,-z -x,1/2+y,-z -x,1/2-y,z " "1/2+x,y,1/2+z 1/2-x,y,1/2+z 1/2+x,1/2-y,1/2+z 1/2+x,1/2+y,1/2-z " "1/2-x,-y,1/2-z 1/2+x,-y,1/2-z 1/2-x,1/2+y,1/2-z 1/2-x,1/2-y,1/2+z", "x,y,z -x,1/2-y,1/2+z -x,1/2+y,1/2-z x,-y,-z -x,-y,-z x,1/2+y,1/2-z " "x,1/2-y,1/2+z -x,y,z 1/2+x,1/2+y,z 1/2-x,-y,1/2+z 1/2-x,y,1/2-z " "1/2+x,1/2-y,-z 1/2-x,1/2-y,-z 1/2+x,y,1/2-z 1/2+x,-y,1/2+z 1/2-x,1/2+y,z", "x,y,z -x,1/2+y,1/2+z x,-y,z x,1/2+y,1/2-z -x,-y,-z x,1/2-y,1/2-z -x,y,-z " "-x,1/2-y,1/2+z 1/2+x,1/2+y,z 1/2-x,y,1/2+z 1/2+x,1/2-y,z 1/2+x,y,1/2-z " "1/2-x,1/2-y,-z 1/2+x,-y,1/2-z 1/2-x,1/2+y,-z 1/2-x,-y,1/2+z", "x,y,z 1/2-x,1/2+y,z x,-y,z 1/2+x,1/2+y,-z -x,-y,-z 1/2+x,1/2-y,-z -x,y,-z " "1/2-x,1/2-y,z x,1/2+y,1/2+z 1/2-x,y,1/2+z x,1/2-y,1/2+z 1/2+x,y,1/2-z " "-x,1/2-y,1/2-z 1/2+x,-y,1/2-z -x,1/2+y,1/2-z 1/2-x,-y,1/2+z", "x,y,z 1/2-x,1/2+y,z 1/2+x,1/2-y,z x,y,-z -x,-y,-z 1/2+x,1/2-y,-z " "1/2-x,1/2+y,-z -x,-y,z x,1/2+y,1/2+z 1/2-x,y,1/2+z 1/2+x,-y,1/2+z " "x,1/2+y,1/2-z -x,1/2-y,1/2-z 1/2+x,-y,1/2-z 1/2-x,y,1/2-z -x,1/2-y,1/2+z", "x,y,z -x,1/2+y,1/2+z x,1/2-y,1/2+z x,y,-z -x,-y,-z x,1/2-y,1/2-z " "-x,1/2+y,1/2-z -x,-y,z 1/2+x,y,1/2+z 1/2-x,1/2+y,z 1/2+x,1/2-y,z " "1/2+x,y,1/2-z 1/2-x,-y,1/2-z 1/2+x,1/2-y,-z 1/2-x,1/2+y,-z 1/2-x,-y,1/2+z", "x,y,z -x,y,z x,1/2-y,1/2+z x,1/2+y,1/2-z -x,-y,-z x,-y,-z -x,1/2+y,1/2-z " "-x,1/2-y,1/2+z 1/2+x,y,1/2+z 1/2-x,y,1/2+z 1/2+x,1/2-y,z 1/2+x,1/2+y,-z " "1/2-x,-y,1/2-z 1/2+x,-y,1/2-z 1/2-x,1/2+y,-z 1/2-x,1/2-y,z", "x,y,z -x,-y,z -x,y,-z x,-y,-z -x,-y,-z x,y,-z x,-y,z -x,y,z 1/2+x,1/2+y,z " "1/2-x,1/2-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z 1/2-x,1/2-y,-z 1/2+x,1/2+y,-z " "1/2+x,1/2-y,z 1/2-x,1/2+y,z", "x,y,z -x,-y,z x,-y,-z -x,y,-z -x,-y,-z x,y,-z -x,y,z x,-y,z x,1/2+y,1/2+z " "-x,1/2-y,1/2+z x,1/2-y,1/2-z -x,1/2+y,1/2-z -x,1/2-y,1/2-z x,1/2+y,1/2-z " "-x,1/2+y,1/2+z x,1/2-y,1/2+z", "x,y,z -x,-y,z x,-y,-z -x,y,-z -x,-y,-z x,y,-z -x,y,z x,-y,z 1/2+x,y,1/2+z " "1/2-x,-y,1/2+z 1/2+x,-y,1/2-z 1/2-x,y,1/2-z 1/2-x,-y,1/2-z 1/2+x,y,1/2-z " "1/2-x,y,1/2+z 1/2+x,-y,1/2+z", "x,y,z -x,-y,z -x,y,1/2-z x,-y,1/2-z -x,-y,-z x,y,-z x,-y,1/2+z -x,y,1/2+z " "1/2+x,1/2+y,z 1/2-x,1/2-y,z 1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,1/2-z " "1/2-x,1/2-y,-z 1/2+x,1/2+y,-z 1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z", "x,y,z 1/2-x,-y,z x,-y,-z 1/2-x,y,-z -x,-y,-z 1/2+x,y,-z -x,y,z 1/2+x,-y,z " "x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z x,1/2-y,1/2-z 1/2-x,1/2+y,1/2-z " "-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z -x,1/2+y,1/2+z 1/2+x,1/2-y,1/2+z", "x,y,z -x,1/2-y,z x,1/2-y,-z -x,y,-z -x,-y,-z x,1/2+y,-z -x,1/2+y,z x,-y,z " "1/2+x,y,1/2+z 1/2-x,1/2-y,1/2+z 1/2+x,1/2-y,1/2-z 1/2-x,y,1/2-z " "1/2-x,-y,1/2-z 1/2+x,1/2+y,1/2-z 1/2-x,1/2+y,1/2+z 1/2+x,-y,1/2+z", "x,y,z -x,1/2-y,z -x,1/2+y,-z x,-y,-z -x,-y,-z x,1/2+y,-z x,1/2-y,z -x,y,z " "1/2+x,1/2+y,z 1/2-x,-y,z 1/2-x,y,-z 1/2+x,1/2-y,-z 1/2-x,1/2-y,-z " "1/2+x,y,-z 1/2+x,-y,z 1/2-x,1/2+y,z", "x,y,z -x,1/2-y,z x,1/2-y,-z -x,y,-z -x,-y,-z x,1/2+y,-z -x,1/2+y,z x,-y,z " "1/2+x,1/2+y,z 1/2-x,-y,z 1/2+x,-y,-z 1/2-x,1/2+y,-z 1/2-x,1/2-y,-z " "1/2+x,y,-z 1/2-x,y,z 1/2+x,1/2-y,z", "x,y,z -x,-y,1/2+z x,-y,1/2-z -x,y,-z -x,-y,-z x,y,1/2-z -x,y,1/2+z x,-y,z " "x,1/2+y,1/2+z -x,1/2-y,z x,1/2-y,-z -x,1/2+y,1/2-z -x,1/2-y,1/2-z " "x,1/2+y,-z -x,1/2+y,z x,1/2-y,1/2+z", "x,y,z -x,-y,z x,-y,1/2-z -x,y,1/2-z -x,-y,-z x,y,-z -x,y,1/2+z x,-y,1/2+z " "x,1/2+y,1/2+z -x,1/2-y,1/2+z x,1/2-y,-z -x,1/2+y,-z -x,1/2-y,1/2-z " "x,1/2+y,1/2-z -x,1/2+y,z x,1/2-y,z", "x,y,z -x,-y,z x,-y,1/2-z -x,y,1/2-z -x,-y,-z x,y,-z -x,y,1/2+z x,-y,1/2+z " "1/2+x,y,1/2+z 1/2-x,-y,1/2+z 1/2+x,-y,-z 1/2-x,y,-z 1/2-x,-y,1/2-z " "1/2+x,y,1/2-z 1/2-x,y,z 1/2+x,-y,z", "x,y,z -x,-y,1/2+z x,-y,-z -x,y,1/2-z -x,-y,-z x,y,1/2-z -x,y,z x,-y,1/2+z " "1/2+x,y,1/2+z 1/2-x,-y,z 1/2+x,-y,1/2-z 1/2-x,y,-z 1/2-x,-y,1/2-z " "1/2+x,y,-z 1/2-x,y,1/2+z 1/2+x,-y,z", "x,y,z -x,1/2-y,1/2-z -x,-y,z x,-y,-z -x,y,-z x,1/2+y,1/2-z -x,1/2+y,1/2+z " "x,1/2-y,1/2+z 1/2+x,1/2+y,z 1/2-x,-y,1/2-z 1/2-x,1/2-y,z 1/2+x,1/2-y,-z " "1/2-x,1/2+y,-z 1/2+x,y,1/2-z 1/2-x,y,1/2+z 1/2+x,-y,1/2+z", "x,y,z 1/2-x,-y,z -x,y,1/2-z 1/2+x,-y,1/2-z -x,-y,-z 1/2+x,y,-z x,-y,1/2+z " "1/2-x,y,1/2+z 1/2+x,1/2+y,z -x,1/2-y,z 1/2-x,1/2+y,1/2-z x,1/2-y,1/2-z " "1/2-x,1/2-y,-z x,1/2+y,-z 1/2+x,1/2-y,1/2+z -x,1/2+y,1/2+z", "x,y,z -x,1/2-y,1/2-z -x,-y,z x,-y,-z -x,y,-z x,1/2+y,1/2-z -x,1/2+y,1/2+z " "x,1/2-y,1/2+z 1/2+x,1/2+y,z 1/2-x,-y,1/2-z 1/2-x,1/2-y,z 1/2+x,1/2-y,-z " "1/2-x,1/2+y,-z 1/2+x,y,1/2-z 1/2-x,y,1/2+z 1/2+x,-y,1/2+z", "x,y,z -x,1/2-y,z x,-y,1/2-z -x,1/2+y,1/2-z -x,-y,-z x,1/2+y,-z -x,y,1/2+z " "x,1/2-y,1/2+z 1/2+x,1/2+y,z 1/2-x,-y,z 1/2+x,1/2-y,1/2-z 1/2-x,y,1/2-z " "1/2-x,1/2-y,-z 1/2+x,y,-z 1/2-x,1/2+y,1/2+z 1/2+x,-y,1/2+z", "x,y,z -x,-y,z x,-y,-z -x,y,-z 1/2-x,-y,1/2-z 1/2+x,y,1/2-z 1/2-x,y,1/2+z " "1/2+x,-y,1/2+z x,1/2+y,1/2+z -x,1/2-y,1/2+z x,1/2-y,1/2-z -x,1/2+y,1/2-z " "1/2-x,1/2-y,-z 1/2+x,1/2+y,-z 1/2-x,1/2+y,z 1/2+x,1/2-y,z", "x,y,z 1/2-x,-y,z x,-y,1/2-z 1/2-x,y,1/2-z -x,-y,-z 1/2+x,y,-z -x,y,1/2+z " "1/2+x,-y,1/2+z x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z x,1/2-y,-z 1/2-x,1/2+y,-z " "-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z -x,1/2+y,z 1/2+x,1/2-y,z", "x,y,z -x,-y,z x,-y,-z -x,y,-z 1/2-x,-y,1/2-z 1/2+x,y,1/2-z 1/2-x,y,1/2+z " "1/2+x,-y,1/2+z x,1/2+y,1/2+z -x,1/2-y,1/2+z x,1/2-y,1/2-z -x,1/2+y,1/2-z " "1/2-x,1/2-y,-z 1/2+x,1/2+y,-z 1/2-x,1/2+y,z 1/2+x,1/2-y,z", "x,y,z 1/2-x,-y,1/2+z x,-y,1/2-z 1/2-x,y,-z -x,-y,-z 1/2+x,y,1/2-z " "-x,y,1/2+z 1/2+x,-y,z x,1/2+y,1/2+z 1/2-x,1/2-y,z x,1/2-y,-z " "1/2-x,1/2+y,1/2-z -x,1/2-y,1/2-z 1/2+x,1/2+y,-z -x,1/2+y,z " "1/2+x,1/2-y,1/2+z", "x,y,z -x,-y,z x,-y,-z -x,y,-z -x,1/2-y,1/2-z x,1/2+y,1/2-z -x,1/2+y,1/2+z " "x,1/2-y,1/2+z 1/2+x,y,1/2+z 1/2-x,-y,1/2+z 1/2+x,-y,1/2-z 1/2-x,y,1/2-z " "1/2-x,1/2-y,-z 1/2+x,1/2+y,-z 1/2-x,1/2+y,z 1/2+x,1/2-y,z", "x,y,z -x,1/2-y,1/2+z x,1/2-y,-z -x,y,1/2-z -x,-y,-z x,1/2+y,1/2-z " "-x,1/2+y,z x,-y,1/2+z 1/2+x,y,1/2+z 1/2-x,1/2-y,z 1/2+x,1/2-y,1/2-z " "1/2-x,y,-z 1/2-x,-y,1/2-z 1/2+x,1/2+y,-z 1/2-x,1/2+y,1/2+z 1/2+x,-y,z", "x,y,z -x,-y,z x,-y,-z -x,y,-z -x,1/2-y,1/2-z x,1/2+y,1/2-z -x,1/2+y,1/2+z " "x,1/2-y,1/2+z 1/2+x,y,1/2+z 1/2-x,-y,1/2+z 1/2+x,-y,1/2-z 1/2-x,y,1/2-z " "1/2-x,1/2-y,-z 1/2+x,1/2+y,-z 1/2-x,1/2+y,z 1/2+x,1/2-y,z", "x,y,z -x,1/2-y,z x,1/2-y,1/2-z -x,y,1/2-z -x,-y,-z x,1/2+y,-z " "-x,1/2+y,1/2+z x,-y,1/2+z 1/2+x,y,1/2+z 1/2-x,1/2-y,1/2+z 1/2+x,1/2-y,-z " "1/2-x,y,-z 1/2-x,-y,1/2-z 1/2+x,1/2+y,1/2-z 1/2-x,1/2+y,z 1/2+x,-y,z", "x,y,z -x,-y,z -x,y,-z x,-y,-z -x,-y,-z x,y,-z x,-y,z -x,y,z x,1/2+y,1/2+z " "-x,1/2-y,1/2+z -x,1/2+y,1/2-z x,1/2-y,1/2-z -x,1/2-y,1/2-z x,1/2+y,1/2-z " "x,1/2-y,1/2+z -x,1/2+y,1/2+z 1/2+x,y,1/2+z 1/2-x,-y,1/2+z 1/2-x,y,1/2-z " "1/2+x,-y,1/2-z 1/2-x,-y,1/2-z 1/2+x,y,1/2-z 1/2+x,-y,1/2+z 1/2-x,y,1/2+z " "1/2+x,1/2+y,z 1/2-x,1/2-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z 1/2-x,1/2-y,-z " "1/2+x,1/2+y,-z 1/2+x,1/2-y,z 1/2-x,1/2+y,z", "x,y,z -x,y,-z 1/4-x,1/4-y,1/4-z 1/4+x,1/4-y,1/4+z x,-y,-z -x,-y,z " "1/4-x,1/4+y,1/4+z 1/4+x,1/4+y,1/4-z x,1/2+y,1/2+z 1/2+x,y,1/2+z " "1/2+x,1/2+y,z -x,1/2+y,1/2-z 1/2-x,y,1/2-z 1/2-x,1/2+y,-z 1/4-x,3/4-y,3/4-z " "3/4-x,1/4-y,3/4-z 3/4-x,3/4-y,1/4-z 1/4+x,3/4-y,3/4+z 3/4+x,1/4-y,3/4+z " "3/4+x,3/4-y,1/4+z x,1/2-y,1/2-z 1/2+x,-y,1/2-z 1/2+x,1/2-y,-z " "-x,1/2-y,1/2+z 1/2-x,-y,1/2+z 1/2-x,1/2-y,z 1/4-x,3/4+y,3/4+z " "3/4-x,1/4+y,3/4+z 3/4-x,3/4+y,1/4+z 1/4+x,3/4+y,3/4-z 3/4+x,1/4+y,3/4-z " "3/4+x,3/4+y,1/4-z", "x,y,z 1/4-x,1/4-y,z x,1/4-y,1/4-z 1/4-x,y,1/4-z -x,-y,-z 3/4+x,3/4+y,-z " "-x,3/4+y,3/4+z 3/4+x,-y,3/4+z x,1/2+y,1/2+z 1/4-x,3/4-y,1/2+z x,3/4-y,3/4-z " "1/4-x,1/2+y,3/4-z -x,1/2-y,1/2-z 3/4+x,1/4+y,1/2-z -x,1/4+y,1/4+z " "3/4+x,1/2-y,1/4+z 1/2+x,y,1/2+z 3/4-x,1/4-y,1/2+z 1/2+x,1/4-y,3/4-z " "3/4-x,y,3/4-z 1/2-x,-y,1/2-z 1/4+x,3/4+y,1/2-z 1/2-x,3/4+y,1/4+z " "1/4+x,-y,1/4+z 1/2+x,1/2+y,z 3/4-x,3/4-y,z 1/2+x,3/4-y,1/4-z " "3/4-x,1/2+y,1/4-z 1/2-x,1/2-y,-z 1/4+x,1/4+y,-z 1/2-x,1/4+y,3/4+z " "1/4+x,1/2-y,3/4+z", "x,y,z -x,-y,z -x,y,-z x,-y,-z -x,-y,-z x,y,-z x,-y,z -x,y,z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,1/2-z " "1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z 1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z", "x,y,z -x,-y,z x,-y,1/2-z -x,y,1/2-z -x,-y,-z x,y,-z -x,y,1/2+z x,-y,1/2+z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2+x,1/2-y,-z 1/2-x,1/2+y,-z " "1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z 1/2-x,1/2+y,z 1/2+x,1/2-y,z", "x,y,z 1/2-x,-y,z x,-y,-z 1/2-x,y,-z -x,-y,-z 1/2+x,y,-z -x,y,z 1/2+x,-y,z " "1/2+x,1/2+y,1/2+z -x,1/2-y,1/2+z 1/2+x,1/2-y,1/2-z -x,1/2+y,1/2-z " "1/2-x,1/2-y,1/2-z x,1/2+y,1/2-z 1/2-x,1/2+y,1/2+z x,1/2-y,1/2+z", "x,y,z -x,1/2-y,z x,1/2-y,-z -x,y,-z -x,-y,-z x,1/2+y,-z -x,1/2+y,z x,-y,z " "1/2+x,1/2+y,1/2+z 1/2-x,-y,1/2+z 1/2+x,-y,1/2-z 1/2-x,1/2+y,1/2-z " "1/2-x,1/2-y,1/2-z 1/2+x,y,1/2-z 1/2-x,y,1/2+z 1/2+x,1/2-y,1/2+z", "x,y,z 1/2-x,-y,1/2+z -x,1/2+y,1/2-z 1/2+x,1/2-y,-z -x,-y,-z 1/2+x,y,1/2-z " "x,1/2-y,1/2+z 1/2-x,1/2+y,z 1/2+x,1/2+y,1/2+z -x,1/2-y,z 1/2-x,y,-z " "x,-y,1/2-z 1/2-x,1/2-y,1/2-z x,1/2+y,-z 1/2+x,-y,z -x,y,1/2+z", "x,y,z 1/2-x,-y,z x,1/2-y,-z -x,y,1/2-z -x,-y,-z 1/2+x,y,-z -x,1/2+y,z " "x,-y,1/2+z 1/2+x,1/2+y,1/2+z -x,1/2-y,1/2+z 1/2+x,-y,1/2-z 1/2-x,1/2+y,-z " "1/2-x,1/2-y,1/2-z x,1/2+y,1/2-z 1/2-x,y,1/2+z 1/2+x,1/2-y,z", "x,y,z -x,1/2-y,z -x,1/2+y,-z x,-y,-z -x,-y,-z x,1/2+y,-z x,1/2-y,z -x,y,z " "1/2+x,1/2+y,1/2+z 1/2-x,-y,1/2+z 1/2-x,y,1/2-z 1/2+x,1/2-y,1/2-z " "1/2-x,1/2-y,1/2-z 1/2+x,y,1/2-z 1/2+x,-y,1/2+z 1/2-x,1/2+y,1/2+z", "x,y,z 1/2-x,-y,z 1/2+x,-y,-z -x,y,-z -x,-y,-z 1/2+x,y,-z 1/2-x,y,z x,-y,z " "1/2+x,1/2+y,1/2+z -x,1/2-y,1/2+z x,1/2-y,1/2-z 1/2-x,1/2+y,1/2-z " "1/2-x,1/2-y,1/2-z x,1/2+y,1/2-z -x,1/2+y,1/2+z 1/2+x,1/2-y,1/2+z", "x,y,z -x,-y,1/2+z x,-y,1/2-z -x,y,-z -x,-y,-z x,y,1/2-z -x,y,1/2+z x,-y,z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,z 1/2+x,1/2-y,-z 1/2-x,1/2+y,1/2-z " "1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,-z 1/2-x,1/2+y,z 1/2+x,1/2-y,1/2+z", "x,y,z -x,-y,z x,1/2-y,-z -x,1/2+y,-z -x,-y,-z x,y,-z -x,1/2+y,z x,1/2-y,z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2+x,-y,1/2-z 1/2-x,y,1/2-z " "1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z 1/2-x,y,1/2+z 1/2+x,-y,1/2+z", "x,y,z -x,-y,z 1/2+x,-y,-z 1/2-x,y,-z -x,-y,-z x,y,-z 1/2-x,y,z 1/2+x,-y,z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z x,1/2-y,1/2-z -x,1/2+y,1/2-z " "1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z -x,1/2+y,1/2+z x,1/2-y,1/2+z", "x,y,z -x,-y,1/2+z x,-y,-z -x,y,1/2-z -x,-y,-z x,y,1/2-z -x,y,z x,-y,1/2+z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,z 1/2+x,1/2-y,1/2-z 1/2-x,1/2+y,-z " "1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,-z 1/2-x,1/2+y,1/2+z 1/2+x,1/2-y,z", "x,y,z -x,-y,z -y,x,z y,-x,z", "x,y,z -x,-y,1/2+z -y,x,1/4+z y,-x,3/4+z", "x,y,z -x,-y,z -y,x,1/2+z y,-x,1/2+z", "x,y,z -x,-y,1/2+z -y,x,3/4+z y,-x,1/4+z", "x,y,z -x,-y,z -y,x,z y,-x,z 1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z " "1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z", "x,y,z 1/2-x,1/2-y,1/2+z -y,1/2+x,1/4+z 1/2+y,-x,3/4+z 1/2+x,1/2+y,1/2+z " "-x,-y,z 1/2-y,x,3/4+z y,1/2-x,1/4+z", "x,y,z -x,-y,z y,-x,-z -y,x,-z", "x,y,z -x,-y,z y,-x,-z -y,x,-z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z " "1/2+y,1/2-x,1/2-z 1/2-y,1/2+x,1/2-z", "x,y,z -x,-y,z -y,x,z y,-x,z -x,-y,-z x,y,-z y,-x,-z -y,x,-z", "x,y,z -x,-y,z -y,x,1/2+z y,-x,1/2+z -x,-y,-z x,y,-z y,-x,1/2-z -y,x,1/2-z", "x,y,z -x,-y,z 1/2-y,1/2+x,z 1/2+y,1/2-x,z 1/2-x,1/2-y,-z 1/2+x,1/2+y,-z " "y,-x,-z -y,x,-z", "x,y,z 1/2-x,1/2-y,z 1/2-y,x,z y,1/2-x,z -x,-y,-z 1/2+x,1/2+y,-z 1/2+y,-x,-z " "-y,1/2+x,-z", "x,y,z -x,-y,z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z 1/2-x,1/2-y,1/2-z " "1/2+x,1/2+y,1/2-z y,-x,-z -y,x,-z", "x,y,z 1/2-x,1/2-y,z -y,1/2+x,1/2+z 1/2+y,-x,1/2+z -x,-y,-z 1/2+x,1/2+y,-z " "y,1/2-x,1/2-z 1/2-y,x,1/2-z", "x,y,z -x,-y,z -y,x,z y,-x,z -x,-y,-z x,y,-z y,-x,-z -y,x,-z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z " "1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z 1/2+y,1/2-x,1/2-z 1/2-y,1/2+x,1/2-z", "x,y,z 1/2-x,1/2-y,1/2+z -y,1/2+x,1/4+z 1/2+y,-x,3/4+z -x,1/2-y,1/4-z " "1/2+x,y,3/4-z y,-x,-z 1/2-y,1/2+x,1/2-z 1/2+x,1/2+y,1/2+z -x,-y,z " "1/2-y,x,3/4+z y,1/2-x,1/4+z 1/2-x,-y,3/4-z x,1/2+y,1/4-z 1/2+y,1/2-x,1/2-z " "-y,x,-z", "x,y,z 1/2-x,-y,1/2+z 3/4-y,1/4+x,1/4+z 3/4+y,3/4-x,3/4+z -x,-y,-z " "1/2+x,y,1/2-z 1/4+y,3/4-x,3/4-z 1/4-y,1/4+x,1/4-z 1/2+x,1/2+y,1/2+z " "-x,1/2-y,z 1/4-y,3/4+x,3/4+z 1/4+y,1/4-x,1/4+z 1/2-x,1/2-y,1/2-z x,1/2+y,-z " "3/4+y,1/4-x,1/4-z 3/4-y,3/4+x,3/4-z", "x,y,z -x,-y,z -y,x,z y,-x,z -x,y,-z x,-y,-z y,x,-z -y,-x,-z", "x,y,z -x,-y,z 1/2-y,1/2+x,z 1/2+y,1/2-x,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z " "y,x,-z -y,-x,-z", "x,y,z -x,-y,1/2+z -y,x,1/4+z y,-x,3/4+z -x,y,-z x,-y,1/2-z y,x,3/4-z " "-y,-x,1/4-z", "x,y,z -x,-y,1/2+z 1/2-y,1/2+x,1/4+z 1/2+y,1/2-x,3/4+z 1/2-x,1/2+y,1/4-z " "1/2+x,1/2-y,3/4-z y,x,-z -y,-x,1/2-z", "x,y,z -x,-y,z -y,x,1/2+z y,-x,1/2+z -x,y,-z x,-y,-z y,x,1/2-z -y,-x,1/2-z", "x,y,z -x,-y,z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z 1/2-x,1/2+y,1/2-z " "1/2+x,1/2-y,1/2-z y,x,-z -y,-x,-z", "x,y,z -x,-y,1/2+z -y,x,3/4+z y,-x,1/4+z -x,y,-z x,-y,1/2-z y,x,1/4-z " "-y,-x,3/4-z", "x,y,z -x,-y,1/2+z 1/2-y,1/2+x,3/4+z 1/2+y,1/2-x,1/4+z 1/2-x,1/2+y,3/4-z " "1/2+x,1/2-y,1/4-z y,x,-z -y,-x,1/2-z", "x,y,z -x,-y,z -y,x,z y,-x,z -x,y,-z x,-y,-z y,x,-z -y,-x,-z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z " "1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,1/2-z 1/2+y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z", "x,y,z 1/2-x,1/2-y,1/2+z -y,1/2+x,1/4+z 1/2+y,-x,3/4+z 1/2-x,y,3/4-z " "x,1/2-y,1/4-z 1/2+y,1/2+x,1/2-z -y,-x,-z 1/2+x,1/2+y,1/2+z -x,-y,z " "1/2-y,x,3/4+z y,1/2-x,1/4+z -x,1/2+y,1/4-z 1/2+x,-y,3/4-z y,x,-z " "1/2-y,1/2-x,1/2-z", "x,y,z -x,-y,z -y,x,z y,-x,z x,-y,z -x,y,z -y,-x,z y,x,z", "x,y,z -x,-y,z -y,x,z y,-x,z 1/2+x,1/2-y,z 1/2-x,1/2+y,z 1/2-y,1/2-x,z " "1/2+y,1/2+x,z", "x,y,z -x,-y,z -y,x,1/2+z y,-x,1/2+z x,-y,1/2+z -x,y,1/2+z -y,-x,z y,x,z", "x,y,z -x,-y,z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z 1/2+x,1/2-y,1/2+z " "1/2-x,1/2+y,1/2+z -y,-x,z y,x,z", "x,y,z -x,-y,z -y,x,z y,-x,z x,-y,1/2+z -x,y,1/2+z -y,-x,1/2+z y,x,1/2+z", "x,y,z -x,-y,z -y,x,z y,-x,z 1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z " "1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z -x,-y,z -y,x,1/2+z y,-x,1/2+z x,-y,z -x,y,z -y,-x,1/2+z y,x,1/2+z", "x,y,z -x,-y,z -y,x,1/2+z y,-x,1/2+z 1/2+x,1/2-y,z 1/2-x,1/2+y,z " "1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z -x,-y,z -y,x,z y,-x,z x,-y,z -x,y,z -y,-x,z y,x,z 1/2+x,1/2+y,1/2+z " "1/2-x,1/2-y,1/2+z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z 1/2+x,1/2-y,1/2+z " "1/2-x,1/2+y,1/2+z 1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z -x,-y,z -y,x,z y,-x,z x,-y,1/2+z -x,y,1/2+z -y,-x,1/2+z y,x,1/2+z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z " "1/2+x,1/2-y,z 1/2-x,1/2+y,z 1/2-y,1/2-x,z 1/2+y,1/2+x,z", "x,y,z 1/2-x,1/2-y,1/2+z -y,1/2+x,1/4+z 1/2+y,-x,3/4+z x,-y,z " "1/2-x,1/2+y,1/2+z -y,1/2-x,1/4+z 1/2+y,x,3/4+z 1/2+x,1/2+y,1/2+z -x,-y,z " "1/2-y,x,3/4+z y,1/2-x,1/4+z 1/2+x,1/2-y,1/2+z -x,y,z 1/2-y,-x,3/4+z " "y,1/2+x,1/4+z", "x,y,z 1/2-x,1/2-y,1/2+z -y,1/2+x,1/4+z 1/2+y,-x,3/4+z x,-y,1/2+z " "1/2-x,1/2+y,z -y,1/2-x,3/4+z 1/2+y,x,1/4+z 1/2+x,1/2+y,1/2+z -x,-y,z " "1/2-y,x,3/4+z y,1/2-x,1/4+z 1/2+x,1/2-y,z -x,y,1/2+z 1/2-y,-x,1/4+z " "y,1/2+x,3/4+z", "x,y,z -x,-y,z y,-x,-z -y,x,-z -x,y,-z x,-y,-z -y,-x,z y,x,z", "x,y,z -x,-y,z y,-x,-z -y,x,-z -x,y,1/2-z x,-y,1/2-z -y,-x,1/2+z y,x,1/2+z", "x,y,z -x,-y,z y,-x,-z -y,x,-z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z 1/2-y,1/2-x,z " "1/2+y,1/2+x,z", "x,y,z -x,-y,z y,-x,-z -y,x,-z 1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,1/2-z " "1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z -x,-y,z y,-x,-z -y,x,-z x,-y,z -x,y,z y,x,-z -y,-x,-z", "x,y,z -x,-y,z y,-x,-z -y,x,-z x,-y,1/2+z -x,y,1/2+z y,x,1/2-z -y,-x,1/2-z", "x,y,z -x,-y,z y,-x,-z -y,x,-z 1/2+x,1/2-y,z 1/2-x,1/2+y,z 1/2+y,1/2+x,-z " "1/2-y,1/2-x,-z", "x,y,z -x,-y,z y,-x,-z -y,x,-z 1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z " "1/2+y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z", "x,y,z -x,-y,z y,-x,-z -y,x,-z x,-y,z -x,y,z y,x,-z -y,-x,-z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2+y,1/2-x,1/2-z 1/2-y,1/2+x,1/2-z " "1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z 1/2+y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z", "x,y,z -x,-y,z y,-x,-z -y,x,-z x,-y,1/2+z -x,y,1/2+z y,x,1/2-z -y,-x,1/2-z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2+y,1/2-x,1/2-z 1/2-y,1/2+x,1/2-z " "1/2+x,1/2-y,z 1/2-x,1/2+y,z 1/2+y,1/2+x,-z 1/2-y,1/2-x,-z", "x,y,z -x,-y,z y,-x,-z -y,x,-z -x,y,-z x,-y,-z -y,-x,z y,x,z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2+y,1/2-x,1/2-z 1/2-y,1/2+x,1/2-z " "1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,1/2-z 1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z -x,-y,z y,-x,-z -y,x,-z 1/2-x,y,3/4-z 1/2+x,-y,3/4-z 1/2-y,-x,3/4+z " "1/2+y,x,3/4+z 1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2+y,1/2-x,1/2-z " "1/2-y,1/2+x,1/2-z -x,1/2+y,1/4-z x,1/2-y,1/4-z -y,1/2-x,1/4+z y,1/2+x,1/4+z", "x,y,z -x,-y,z -y,x,z y,-x,z -x,y,-z x,-y,-z y,x,-z -y,-x,-z -x,-y,-z x,y,-z " "y,-x,-z -y,x,-z x,-y,z -x,y,z -y,-x,z y,x,z", "x,y,z -x,-y,z -y,x,z y,-x,z -x,y,1/2-z x,-y,1/2-z y,x,1/2-z -y,-x,1/2-z " "-x,-y,-z x,y,-z y,-x,-z -y,x,-z x,-y,1/2+z -x,y,1/2+z -y,-x,1/2+z y,x,1/2+z", "x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z y,x,-z -x,y,-z -y,-x,-z 1/2-x,1/2-y,-z " "1/2+y,1/2-x,-z 1/2+x,1/2+y,-z 1/2-y,1/2+x,-z 1/2-x,1/2+y,z 1/2-y,1/2-x,z " "1/2+x,1/2-y,z 1/2+y,1/2+x,z", "x,y,z 1/2-y,x,z 1/2-x,1/2-y,z y,1/2-x,z x,1/2-y,-z y,x,-z 1/2-x,y,-z " "1/2-y,1/2-x,-z -x,-y,-z 1/2+y,-x,-z 1/2+x,1/2+y,-z -y,1/2+x,-z -x,1/2+y,z " "-y,-x,z 1/2+x,-y,z 1/2+y,1/2+x,z", "x,y,z -x,-y,z -y,x,z y,-x,z -x,y,-z x,-y,-z y,x,-z -y,-x,-z " "1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z 1/2+y,1/2-x,1/2-z 1/2-y,1/2+x,1/2-z " "1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z 1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z 1/2-x,1/2-y,z 1/2-y,x,z y,1/2-x,z 1/2-x,y,1/2-z x,1/2-y,1/2-z " "y,x,1/2-z 1/2-y,1/2-x,1/2-z -x,-y,-z 1/2+x,1/2+y,-z 1/2+y,-x,-z -y,1/2+x,-z " "1/2+x,-y,1/2+z -x,1/2+y,1/2+z -y,-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z -x,-y,z -y,x,z y,-x,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z 1/2+y,1/2+x,-z " "1/2-y,1/2-x,-z -x,-y,-z x,y,-z y,-x,-z -y,x,-z 1/2+x,1/2-y,z 1/2-x,1/2+y,z " "1/2-y,1/2-x,z 1/2+y,1/2+x,z", "x,y,z -x,-y,z -y,x,z y,-x,z 1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,1/2-z " "1/2+y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z -x,-y,-z x,y,-z y,-x,-z -y,x,-z " "1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z 1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z -x,-y,z 1/2-y,1/2+x,z 1/2+y,1/2-x,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z " "y,x,-z -y,-x,-z 1/2-x,1/2-y,-z 1/2+x,1/2+y,-z y,-x,-z -y,x,-z x,-y,z -x,y,z " "1/2-y,1/2-x,z 1/2+y,1/2+x,z", "x,y,z 1/2-x,1/2-y,z 1/2-y,x,z y,1/2-x,z -x,1/2+y,-z 1/2+x,-y,-z " "1/2+y,1/2+x,-z -y,-x,-z -x,-y,-z 1/2+x,1/2+y,-z 1/2+y,-x,-z -y,1/2+x,-z " "x,1/2-y,z 1/2-x,y,z 1/2-y,1/2-x,z y,x,z", "x,y,z -x,-y,z 1/2-y,1/2+x,z 1/2+y,1/2-x,z 1/2-x,1/2+y,1/2-z " "1/2+x,1/2-y,1/2-z y,x,1/2-z -y,-x,1/2-z 1/2-x,1/2-y,-z 1/2+x,1/2+y,-z " "y,-x,-z -y,x,-z x,-y,1/2+z -x,y,1/2+z 1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z 1/2-x,1/2-y,z 1/2-y,x,z y,1/2-x,z -x,1/2+y,1/2-z 1/2+x,-y,1/2-z " "1/2+y,1/2+x,1/2-z -y,-x,1/2-z -x,-y,-z 1/2+x,1/2+y,-z 1/2+y,-x,-z " "-y,1/2+x,-z x,1/2-y,1/2+z 1/2-x,y,1/2+z 1/2-y,1/2-x,1/2+z y,x,1/2+z", "x,y,z -x,-y,z -y,x,1/2+z y,-x,1/2+z -x,y,-z x,-y,-z y,x,1/2-z -y,-x,1/2-z " "-x,-y,-z x,y,-z y,-x,1/2-z -y,x,1/2-z x,-y,z -x,y,z -y,-x,1/2+z y,x,1/2+z", "x,y,z -x,-y,z -y,x,1/2+z y,-x,1/2+z -x,y,1/2-z x,-y,1/2-z y,x,-z -y,-x,-z " "-x,-y,-z x,y,-z y,-x,1/2-z -y,x,1/2-z x,-y,1/2+z -x,y,1/2+z -y,-x,z y,x,z", "x,y,z -x,-y,z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z -x,y,1/2-z x,-y,1/2-z " "1/2+y,1/2+x,-z 1/2-y,1/2-x,-z 1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z y,-x,-z " "-y,x,-z 1/2+x,1/2-y,z 1/2-x,1/2+y,z -y,-x,1/2+z y,x,1/2+z", "x,y,z 1/2-x,1/2-y,z 1/2-y,x,1/2+z y,1/2-x,1/2+z 1/2-x,y,-z x,1/2-y,-z " "y,x,1/2-z 1/2-y,1/2-x,1/2-z -x,-y,-z 1/2+x,1/2+y,-z 1/2+y,-x,1/2-z " "-y,1/2+x,1/2-z 1/2+x,-y,z -x,1/2+y,z -y,-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z -x,-y,z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z -x,y,-z x,-y,-z " "1/2+y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z 1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z " "y,-x,-z -y,x,-z 1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z -y,-x,z y,x,z", "x,y,z 1/2-x,1/2-y,z 1/2-y,x,1/2+z y,1/2-x,1/2+z 1/2-x,y,1/2-z x,1/2-y,1/2-z " "y,x,-z 1/2-y,1/2-x,-z -x,-y,-z 1/2+x,1/2+y,-z 1/2+y,-x,1/2-z -y,1/2+x,1/2-z " "1/2+x,-y,1/2+z -x,1/2+y,1/2+z -y,-x,z 1/2+y,1/2+x,z", "x,y,z -x,-y,z -y,x,1/2+z y,-x,1/2+z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z " "1/2+y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z -x,-y,-z x,y,-z y,-x,1/2-z -y,x,1/2-z " "1/2+x,1/2-y,z 1/2-x,1/2+y,z 1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z -x,-y,z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z 1/2-x,1/2+y,1/2-z " "1/2+x,1/2-y,1/2-z y,x,-z -y,-x,-z -x,-y,-z x,y,-z 1/2+y,1/2-x,1/2-z " "1/2-y,1/2+x,1/2-z 1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z -y,-x,z y,x,z", "x,y,z -x,-y,z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z 1/2-x,1/2+y,1/2-z " "1/2+x,1/2-y,1/2-z y,x,-z -y,-x,-z 1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z " "y,-x,-z -y,x,-z x,-y,z -x,y,z 1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z 1/2-x,1/2-y,z 1/2-y,x,1/2+z y,1/2-x,1/2+z -x,1/2+y,-z 1/2+x,-y,-z " "1/2+y,1/2+x,1/2-z -y,-x,1/2-z -x,-y,-z 1/2+x,1/2+y,-z 1/2+y,-x,1/2-z " "-y,1/2+x,1/2-z x,1/2-y,z 1/2-x,y,z 1/2-y,1/2-x,1/2+z y,x,1/2+z", "x,y,z -x,-y,z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z 1/2-x,1/2+y,-z " "1/2+x,1/2-y,-z y,x,1/2-z -y,-x,1/2-z 1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z " "y,-x,-z -y,x,-z x,-y,1/2+z -x,y,1/2+z 1/2-y,1/2-x,z 1/2+y,1/2+x,z", "x,y,z 1/2-x,1/2-y,z 1/2-y,x,1/2+z y,1/2-x,1/2+z -x,1/2+y,1/2-z " "1/2+x,-y,1/2-z 1/2+y,1/2+x,-z -y,-x,-z -x,-y,-z 1/2+x,1/2+y,-z " "1/2+y,-x,1/2-z -y,1/2+x,1/2-z x,1/2-y,1/2+z 1/2-x,y,1/2+z 1/2-y,1/2-x,z " "y,x,z", "x,y,z -x,-y,z -y,x,z y,-x,z -x,y,-z x,-y,-z y,x,-z -y,-x,-z -x,-y,-z x,y,-z " "y,-x,-z -y,x,-z x,-y,z -x,y,z -y,-x,z y,x,z 1/2+x,1/2+y,1/2+z " "1/2-x,1/2-y,1/2+z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z 1/2-x,1/2+y,1/2-z " "1/2+x,1/2-y,1/2-z 1/2+y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z 1/2-x,1/2-y,1/2-z " "1/2+x,1/2+y,1/2-z 1/2+y,1/2-x,1/2-z 1/2-y,1/2+x,1/2-z 1/2+x,1/2-y,1/2+z " "1/2-x,1/2+y,1/2+z 1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z", "x,y,z -x,-y,z -y,x,z y,-x,z -x,y,1/2-z x,-y,1/2-z y,x,1/2-z -y,-x,1/2-z " "-x,-y,-z x,y,-z y,-x,-z -y,x,-z x,-y,1/2+z -x,y,1/2+z -y,-x,1/2+z y,x,1/2+z " "1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z " "1/2-x,1/2+y,-z 1/2+x,1/2-y,-z 1/2+y,1/2+x,-z 1/2-y,1/2-x,-z " "1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z 1/2+y,1/2-x,1/2-z 1/2-y,1/2+x,1/2-z " "1/2+x,1/2-y,z 1/2-x,1/2+y,z 1/2-y,1/2-x,z 1/2+y,1/2+x,z", "x,y,z 1/2-x,1/2-y,1/2+z -y,1/2+x,1/4+z 1/2+y,-x,3/4+z 1/2-x,y,3/4-z " "x,1/2-y,1/4-z 1/2+y,1/2+x,1/2-z -y,-x,-z -x,1/2-y,1/4-z 1/2+x,y,3/4-z " "y,-x,-z 1/2-y,1/2+x,1/2-z 1/2+x,1/2-y,1/2+z -x,y,z 1/2-y,-x,3/4+z " "y,1/2+x,1/4+z 1/2+x,1/2+y,1/2+z -x,-y,z 1/2-y,x,3/4+z y,1/2-x,1/4+z " "-x,1/2+y,1/4-z 1/2+x,-y,3/4-z y,x,-z 1/2-y,1/2-x,1/2-z 1/2-x,-y,3/4-z " "x,1/2+y,1/4-z 1/2+y,1/2-x,1/2-z -y,x,-z x,-y,z 1/2-x,1/2+y,1/2+z " "-y,1/2-x,1/4+z 1/2+y,x,3/4+z", "x,y,z 1/2-x,-y,1/2+z 1/4-y,3/4+x,1/4+z 1/4+y,1/4-x,3/4+z 1/2-x,y,1/2-z " "x,-y,-z 1/4+y,3/4+x,1/4-z 1/4-y,1/4-x,3/4-z -x,-y,-z 1/2+x,y,1/2-z " "3/4+y,1/4-x,3/4-z 3/4-y,3/4+x,1/4-z 1/2+x,-y,1/2+z -x,y,z 3/4-y,1/4-x,3/4+z " "3/4+y,3/4+x,1/4+z 1/2+x,1/2+y,1/2+z -x,1/2-y,z 3/4-y,1/4+x,3/4+z " "3/4+y,3/4-x,1/4+z -x,1/2+y,-z 1/2+x,1/2-y,1/2-z 3/4+y,1/4+x,3/4-z " "3/4-y,3/4-x,1/4-z 1/2-x,1/2-y,1/2-z x,1/2+y,-z 1/4+y,3/4-x,1/4-z " "1/4-y,1/4+x,3/4-z x,1/2-y,z 1/2-x,1/2+y,1/2+z 1/4-y,3/4-x,1/4+z " "1/4+y,1/4+x,3/4+z", "x,y,z 1/2-x,1/2-y,1/2+z -y,1/2+x,1/4+z 1/2+y,-x,3/4+z 1/2-x,y,1/4-z " "x,1/2-y,3/4-z 1/2+y,1/2+x,-z -y,-x,1/2-z -x,1/2-y,1/4-z 1/2+x,y,3/4-z " "y,-x,-z 1/2-y,1/2+x,1/2-z 1/2+x,1/2-y,z -x,y,1/2+z 1/2-y,-x,1/4+z " "y,1/2+x,3/4+z 1/2+x,1/2+y,1/2+z -x,-y,z 1/2-y,x,3/4+z y,1/2-x,1/4+z " "-x,1/2+y,3/4-z 1/2+x,-y,1/4-z y,x,1/2-z 1/2-y,1/2-x,-z 1/2-x,-y,3/4-z " "x,1/2+y,1/4-z 1/2+y,1/2-x,1/2-z -y,x,-z x,-y,1/2+z 1/2-x,1/2+y,z " "-y,1/2-x,3/4+z 1/2+y,x,1/4+z", "x,y,z 1/2-x,-y,1/2+z 1/4-y,3/4+x,1/4+z 1/4+y,1/4-x,3/4+z 1/2-x,y,-z " "x,-y,1/2-z 1/4+y,3/4+x,3/4-z 1/4-y,1/4-x,1/4-z -x,-y,-z 1/2+x,y,1/2-z " "3/4+y,1/4-x,3/4-z 3/4-y,3/4+x,1/4-z 1/2+x,-y,z -x,y,1/2+z 3/4-y,1/4-x,1/4+z " "3/4+y,3/4+x,3/4+z 1/2+x,1/2+y,1/2+z -x,1/2-y,z 3/4-y,1/4+x,3/4+z " "3/4+y,3/4-x,1/4+z -x,1/2+y,1/2-z 1/2+x,1/2-y,-z 3/4+y,1/4+x,1/4-z " "3/4-y,3/4-x,3/4-z 1/2-x,1/2-y,1/2-z x,1/2+y,-z 1/4+y,3/4-x,1/4-z " "1/4-y,1/4+x,3/4-z x,1/2-y,1/2+z 1/2-x,1/2+y,z 1/4-y,3/4-x,3/4+z " "1/4+y,1/4+x,1/4+z", "x,y,z -y,x-y,z y-x,-x,z", "x,y,z -y,x-y,1/3+z y-x,-x,2/3+z", "x,y,z -y,x-y,2/3+z y-x,-x,1/3+z", "x,y,z -y,x-y,z y-x,-x,z " "2/3+x,1/3+y,1/3+z 2/3-y,1/3+x-y,1/3+z " "2/3+y-x,1/3-x,1/3+z 1/3+x,2/3+y,2/3+z " "1/3-y,2/3+x-y,2/3+z 1/3+y-x,2/3-x,2/3+z", "x,y,z z,x,y y,z,x", "x,y,z -y,x-y,z y-x,-x,z -x,-y,-z y,y-x,-z x-y,x,-z", "x,y,z -y,x-y,z y-x,-x,z -x,-y,-z y,y-x,-z x-y,x,-z 2/3+x,1/3+y,1/3+z " "2/3-y,1/3+x-y,1/3+z 2/3+y-x,1/3-x,1/3+z 2/3-x,1/3-y,1/3-z " "2/3+y,1/3+y-x,1/3-z 2/3+x-y,1/3+x,1/3-z 1/3+x,2/3+y,2/3+z " "1/3-y,2/3+x-y,2/3+z 1/3+y-x,2/3-x,2/3+z 1/3-x,2/3-y,2/3-z " "1/3+y,2/3+y-x,2/3-z 1/3+x-y,2/3+x,2/3-z", "x,y,z z,x,y y,z,x 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2/3+x,1/3+y,1/3+z " "2/3-y,1/3+x-y,1/3+z 2/3+y-x,1/3-x,1/3+z 2/3+y,1/3+x,5/6-z " "2/3+x-y,1/3-y,5/6-z 2/3-x,1/3+y-x,5/6-z 2/3-x,1/3-y,1/3-z " "2/3+y,1/3+y-x,1/3-z 2/3+x-y,1/3+x,1/3-z 2/3-y,1/3-x,5/6+z " "2/3+y-x,1/3+y,5/6+z 2/3+x,1/3+x-y,5/6+z 1/3+x,2/3+y,2/3+z " "1/3-y,2/3+x-y,2/3+z 1/3+y-x,2/3-x,2/3+z 1/3+y,2/3+x,1/6-z " "1/3+x-y,2/3-y,1/6-z 1/3-x,2/3+y-x,1/6-z 1/3-x,2/3-y,2/3-z " "1/3+y,2/3+y-x,2/3-z 1/3+x-y,2/3+x,2/3-z 1/3-y,2/3-x,1/6+z " "1/3+y-x,2/3+y,1/6+z 1/3+x,2/3+x-y,1/6+z", "x,y,z z,x,y y,z,x 1/2-y,1/2-x,1/2-z 1/2-x,1/2-z,1/2-y 1/2-z,1/2-y,1/2-x " "-x,-y,-z -z,-x,-y -y,-z,-x 1/2+y,1/2+x,1/2+z 1/2+x,1/2+z,1/2+y " "1/2+z,1/2+y,1/2+x", "x,y,z -y,x-y,z y-x,-x,z -x,-y,z y,y-x,z x-y,x,z", "x,y,z -y,x-y,1/3+z y-x,-x,2/3+z -x,-y,1/2+z y,y-x,5/6+z x-y,x,1/6+z", "x,y,z -y,x-y,2/3+z y-x,-x,1/3+z -x,-y,1/2+z y,y-x,1/6+z x-y,x,5/6+z", "x,y,z -y,x-y,2/3+z y-x,-x,1/3+z -x,-y,z y,y-x,2/3+z x-y,x,1/3+z", "x,y,z -y,x-y,1/3+z y-x,-x,2/3+z -x,-y,z y,y-x,1/3+z x-y,x,2/3+z", "x,y,z -y,x-y,z 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x,x-y,2/3-z", "x,y,z -y,x-y,z y-x,-x,z -x,-y,1/2+z y,y-x,1/2+z x-y,x,1/2+z y,x,-z " "x-y,-y,-z -x,y-x,-z -y,-x,1/2-z y-x,y,1/2-z x,x-y,1/2-z", "x,y,z -y,x-y,z y-x,-x,z -x,-y,z y,y-x,z x-y,x,z -y,-x,z y-x,y,z x,x-y,z " "y,x,z x-y,-y,z -x,y-x,z", "x,y,z -y,x-y,z y-x,-x,z -x,-y,z y,y-x,z x-y,x,z -y,-x,1/2+z y-x,y,1/2+z " "x,x-y,1/2+z y,x,1/2+z x-y,-y,1/2+z -x,y-x,1/2+z", "x,y,z -y,x-y,z y-x,-x,z -x,-y,1/2+z y,y-x,1/2+z x-y,x,1/2+z -y,-x,1/2+z " "y-x,y,1/2+z x,x-y,1/2+z y,x,z x-y,-y,z -x,y-x,z", "x,y,z -y,x-y,z y-x,-x,z -x,-y,1/2+z y,y-x,1/2+z x-y,x,1/2+z -y,-x,z y-x,y,z " "x,x-y,z y,x,1/2+z x-y,-y,1/2+z -x,y-x,1/2+z", "x,y,z -y,x-y,z y-x,-x,z x,y,-z -y,x-y,-z y-x,-x,-z -y,-x,z y-x,y,z x,x-y,z " "-y,-x,-z y-x,y,-z x,x-y,-z", "x,y,z -y,x-y,z y-x,-x,z x,y,1/2-z -y,x-y,1/2-z y-x,-x,1/2-z -y,-x,1/2+z " "y-x,y,1/2+z x,x-y,1/2+z -y,-x,-z y-x,y,-z x,x-y,-z", "x,y,z -y,x-y,z y-x,-x,z x,y,-z -y,x-y,-z y-x,-x,-z y,x,-z x-y,-y,-z " "-x,y-x,-z y,x,z x-y,-y,z -x,y-x,z", "x,y,z -y,x-y,z y-x,-x,z x,y,1/2-z -y,x-y,1/2-z y-x,-x,1/2-z y,x,-z " "x-y,-y,-z -x,y-x,-z y,x,1/2+z x-y,-y,1/2+z -x,y-x,1/2+z", "x,y,z -y,x-y,z y-x,-x,z -x,-y,z y,y-x,z x-y,x,z y,x,-z x-y,-y,-z -x,y-x,-z " "-y,-x,-z y-x,y,-z x,x-y,-z -x,-y,-z y,y-x,-z x-y,x,-z x,y,-z -y,x-y,-z " "y-x,-x,-z -y,-x,z y-x,y,z x,x-y,z y,x,z x-y,-y,z -x,y-x,z", "x,y,z -y,x-y,z y-x,-x,z -x,-y,z y,y-x,z x-y,x,z y,x,1/2-z x-y,-y,1/2-z " "-x,y-x,1/2-z -y,-x,1/2-z y-x,y,1/2-z x,x-y,1/2-z -x,-y,-z y,y-x,-z x-y,x,-z " "x,y,-z -y,x-y,-z y-x,-x,-z -y,-x,1/2+z y-x,y,1/2+z x,x-y,1/2+z y,x,1/2+z " "x-y,-y,1/2+z -x,y-x,1/2+z", "x,y,z -y,x-y,z y-x,-x,z -x,-y,1/2+z y,y-x,1/2+z x-y,x,1/2+z y,x,1/2-z " "x-y,-y,1/2-z -x,y-x,1/2-z -y,-x,-z y-x,y,-z x,x-y,-z -x,-y,-z y,y-x,-z " "x-y,x,-z x,y,1/2-z -y,x-y,1/2-z y-x,-x,1/2-z -y,-x,1/2+z y-x,y,1/2+z " "x,x-y,1/2+z y,x,z x-y,-y,z -x,y-x,z", "x,y,z -y,x-y,z y-x,-x,z -x,-y,1/2+z y,y-x,1/2+z x-y,x,1/2+z y,x,-z " "x-y,-y,-z -x,y-x,-z -y,-x,1/2-z y-x,y,1/2-z x,x-y,1/2-z -x,-y,-z y,y-x,-z " "x-y,x,-z x,y,1/2-z -y,x-y,1/2-z y-x,-x,1/2-z -y,-x,z y-x,y,z x,x-y,z " "y,x,1/2+z x-y,-y,1/2+z -x,y-x,1/2+z", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x x,1/2+y,1/2+z -x,1/2-y,1/2+z -x,1/2+y,1/2-z x,1/2-y,1/2-z " "z,1/2+x,1/2+y z,1/2-x,1/2-y -z,1/2-x,1/2+y -z,1/2+x,1/2-y y,1/2+z,1/2+x " "-y,1/2+z,1/2-x y,1/2-z,1/2-x -y,1/2-z,1/2+x 1/2+x,y,1/2+z 1/2-x,-y,1/2+z " "1/2-x,y,1/2-z 1/2+x,-y,1/2-z 1/2+z,x,1/2+y 1/2+z,-x,1/2-y 1/2-z,-x,1/2+y " "1/2-z,x,1/2-y 1/2+y,z,1/2+x 1/2-y,z,1/2-x 1/2+y,-z,1/2-x 1/2-y,-z,1/2+x " "1/2+x,1/2+y,z 1/2-x,1/2-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z 1/2+z,1/2+x,y " "1/2+z,1/2-x,-y 1/2-z,1/2-x,y 1/2-z,1/2+x,-y 1/2+y,1/2+z,x 1/2-y,1/2+z,-x " "1/2+y,1/2-z,-x 1/2-y,1/2-z,x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x 1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z 1/2-x,1/2+y,1/2-z " "1/2+x,1/2-y,1/2-z 1/2+z,1/2+x,1/2+y 1/2+z,1/2-x,1/2-y 1/2-z,1/2-x,1/2+y " "1/2-z,1/2+x,1/2-y 1/2+y,1/2+z,1/2+x 1/2-y,1/2+z,1/2-x 1/2+y,1/2-z,1/2-x " "1/2-y,1/2-z,1/2+x", "x,y,z 1/2-x,-y,1/2+z -x,1/2+y,1/2-z 1/2+x,1/2-y,-z z,x,y 1/2+z,1/2-x,-y " "1/2-z,-x,1/2+y -z,1/2+x,1/2-y y,z,x -y,1/2+z,1/2-x 1/2+y,1/2-z,-x " "1/2-y,-z,1/2+x", "x,y,z 1/2-x,-y,1/2+z -x,1/2+y,1/2-z 1/2+x,1/2-y,-z z,x,y 1/2+z,1/2-x,-y " "1/2-z,-x,1/2+y -z,1/2+x,1/2-y y,z,x -y,1/2+z,1/2-x 1/2+y,1/2-z,-x " "1/2-y,-z,1/2+x 1/2+x,1/2+y,1/2+z -x,1/2-y,z 1/2-x,y,-z x,-y,1/2-z " "1/2+z,1/2+x,1/2+y z,-x,1/2-y -z,1/2-x,y 1/2-z,x,-y 1/2+y,1/2+z,1/2+x " "1/2-y,z,-x y,-z,1/2-x -y,1/2-z,x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x -x,-y,-z x,y,-z x,-y,z -x,y,z -z,-x,-y -z,x,y z,x,-y z,-x,y " "-y,-z,-x y,-z,x -y,z,x y,z,-x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x 1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z 1/2+x,1/2-y,1/2+z " "1/2-x,1/2+y,1/2+z 1/2-z,1/2-x,1/2-y 1/2-z,1/2+x,1/2+y 1/2+z,1/2+x,1/2-y " "1/2+z,1/2-x,1/2+y 1/2-y,1/2-z,1/2-x 1/2+y,1/2-z,1/2+x 1/2-y,1/2+z,1/2+x " "1/2+y,1/2+z,1/2-x", "x,y,z 1/2-x,1/2-y,z 1/2-x,y,1/2-z x,1/2-y,1/2-z z,x,y z,1/2-x,1/2-y " "1/2-z,1/2-x,y 1/2-z,x,1/2-y y,z,x 1/2-y,z,1/2-x y,1/2-z,1/2-x 1/2-y,1/2-z,x " "-x,-y,-z 1/2+x,1/2+y,-z 1/2+x,-y,1/2+z -x,1/2+y,1/2+z -z,-x,-y " "-z,1/2+x,1/2+y 1/2+z,1/2+x,-y 1/2+z,-x,1/2+y -y,-z,-x 1/2+y,-z,1/2+x " "-y,1/2+z,1/2+x 1/2+y,1/2+z,-x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x -x,-y,-z x,y,-z x,-y,z -x,y,z -z,-x,-y -z,x,y z,x,-y z,-x,y " "-y,-z,-x y,-z,x -y,z,x y,z,-x x,1/2+y,1/2+z -x,1/2-y,1/2+z -x,1/2+y,1/2-z " "x,1/2-y,1/2-z z,1/2+x,1/2+y z,1/2-x,1/2-y -z,1/2-x,1/2+y -z,1/2+x,1/2-y " "y,1/2+z,1/2+x -y,1/2+z,1/2-x y,1/2-z,1/2-x -y,1/2-z,1/2+x -x,1/2-y,1/2-z " "x,1/2+y,1/2-z x,1/2-y,1/2+z -x,1/2+y,1/2+z -z,1/2-x,1/2-y -z,1/2+x,1/2+y " "z,1/2+x,1/2-y z,1/2-x,1/2+y -y,1/2-z,1/2-x y,1/2-z,1/2+x -y,1/2+z,1/2+x " "y,1/2+z,1/2-x 1/2+x,y,1/2+z 1/2-x,-y,1/2+z 1/2-x,y,1/2-z 1/2+x,-y,1/2-z " "1/2+z,x,1/2+y 1/2+z,-x,1/2-y 1/2-z,-x,1/2+y 1/2-z,x,1/2-y 1/2+y,z,1/2+x " "1/2-y,z,1/2-x 1/2+y,-z,1/2-x 1/2-y,-z,1/2+x 1/2-x,-y,1/2-z 1/2+x,y,1/2-z " "1/2+x,-y,1/2+z 1/2-x,y,1/2+z 1/2-z,-x,1/2-y 1/2-z,x,1/2+y 1/2+z,x,1/2-y " "1/2+z,-x,1/2+y 1/2-y,-z,1/2-x 1/2+y,-z,1/2+x 1/2-y,z,1/2+x 1/2+y,z,1/2-x " "1/2+x,1/2+y,z 1/2-x,1/2-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z 1/2+z,1/2+x,y " "1/2+z,1/2-x,-y 1/2-z,1/2-x,y 1/2-z,1/2+x,-y 1/2+y,1/2+z,x 1/2-y,1/2+z,-x " "1/2+y,1/2-z,-x 1/2-y,1/2-z,x 1/2-x,1/2-y,-z 1/2+x,1/2+y,-z 1/2+x,1/2-y,z " "1/2-x,1/2+y,z 1/2-z,1/2-x,-y 1/2-z,1/2+x,y 1/2+z,1/2+x,-y 1/2+z,1/2-x,y " "1/2-y,1/2-z,-x 1/2+y,1/2-z,x 1/2-y,1/2+z,x 1/2+y,1/2+z,-x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x 1/4-x,1/4-y,1/4-z 1/4+x,1/4+y,1/4-z 1/4+x,1/4-y,1/4+z " "1/4-x,1/4+y,1/4+z 1/4-z,1/4-x,1/4-y 1/4-z,1/4+x,1/4+y 1/4+z,1/4+x,1/4-y " "1/4+z,1/4-x,1/4+y 1/4-y,1/4-z,1/4-x 1/4+y,1/4-z,1/4+x 1/4-y,1/4+z,1/4+x " "1/4+y,1/4+z,1/4-x x,1/2+y,1/2+z -x,1/2-y,1/2+z -x,1/2+y,1/2-z x,1/2-y,1/2-z " "z,1/2+x,1/2+y z,1/2-x,1/2-y -z,1/2-x,1/2+y -z,1/2+x,1/2-y y,1/2+z,1/2+x " "-y,1/2+z,1/2-x y,1/2-z,1/2-x -y,1/2-z,1/2+x 1/4-x,3/4-y,3/4-z " "1/4+x,3/4+y,3/4-z 1/4+x,3/4-y,3/4+z 1/4-x,3/4+y,3/4+z 1/4-z,3/4-x,3/4-y " "1/4-z,3/4+x,3/4+y 1/4+z,3/4+x,3/4-y 1/4+z,3/4-x,3/4+y 1/4-y,3/4-z,3/4-x " "1/4+y,3/4-z,3/4+x 1/4-y,3/4+z,3/4+x 1/4+y,3/4+z,3/4-x 1/2+x,y,1/2+z " "1/2-x,-y,1/2+z 1/2-x,y,1/2-z 1/2+x,-y,1/2-z 1/2+z,x,1/2+y 1/2+z,-x,1/2-y " "1/2-z,-x,1/2+y 1/2-z,x,1/2-y 1/2+y,z,1/2+x 1/2-y,z,1/2-x 1/2+y,-z,1/2-x " "1/2-y,-z,1/2+x 3/4-x,1/4-y,3/4-z 3/4+x,1/4+y,3/4-z 3/4+x,1/4-y,3/4+z " "3/4-x,1/4+y,3/4+z 3/4-z,1/4-x,3/4-y 3/4-z,1/4+x,3/4+y 3/4+z,1/4+x,3/4-y " "3/4+z,1/4-x,3/4+y 3/4-y,1/4-z,3/4-x 3/4+y,1/4-z,3/4+x 3/4-y,1/4+z,3/4+x " "3/4+y,1/4+z,3/4-x 1/2+x,1/2+y,z 1/2-x,1/2-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z " "1/2+z,1/2+x,y 1/2+z,1/2-x,-y 1/2-z,1/2-x,y 1/2-z,1/2+x,-y 1/2+y,1/2+z,x " "1/2-y,1/2+z,-x 1/2+y,1/2-z,-x 1/2-y,1/2-z,x 3/4-x,3/4-y,1/4-z " "3/4+x,3/4+y,1/4-z 3/4+x,3/4-y,1/4+z 3/4-x,3/4+y,1/4+z 3/4-z,3/4-x,1/4-y " "3/4-z,3/4+x,1/4+y 3/4+z,3/4+x,1/4-y 3/4+z,3/4-x,1/4+y 3/4-y,3/4-z,1/4-x " "3/4+y,3/4-z,1/4+x 3/4-y,3/4+z,1/4+x 3/4+y,3/4+z,1/4-x", "x,y,z 1/4-x,1/4-y,z 1/4-x,y,1/4-z x,1/4-y,1/4-z z,x,y z,1/4-x,1/4-y " "1/4-z,1/4-x,y 1/4-z,x,1/4-y y,z,x 1/4-y,z,1/4-x y,1/4-z,1/4-x 1/4-y,1/4-z,x " "-x,-y,-z 3/4+x,3/4+y,-z 3/4+x,-y,3/4+z -x,3/4+y,3/4+z -z,-x,-y " "-z,3/4+x,3/4+y 3/4+z,3/4+x,-y 3/4+z,-x,3/4+y -y,-z,-x 3/4+y,-z,3/4+x " "-y,3/4+z,3/4+x 3/4+y,3/4+z,-x x,1/2+y,1/2+z 1/4-x,3/4-y,1/2+z " "1/4-x,1/2+y,3/4-z x,3/4-y,3/4-z z,1/2+x,1/2+y z,3/4-x,3/4-y " "1/4-z,3/4-x,1/2+y 1/4-z,1/2+x,3/4-y y,1/2+z,1/2+x 1/4-y,1/2+z,3/4-x " "y,3/4-z,3/4-x 1/4-y,3/4-z,1/2+x -x,1/2-y,1/2-z 3/4+x,1/4+y,1/2-z " "3/4+x,1/2-y,1/4+z -x,1/4+y,1/4+z -z,1/2-x,1/2-y -z,1/4+x,1/4+y " "3/4+z,1/4+x,1/2-y 3/4+z,1/2-x,1/4+y -y,1/2-z,1/2-x 3/4+y,1/2-z,1/4+x " "-y,1/4+z,1/4+x 3/4+y,1/4+z,1/2-x 1/2+x,y,1/2+z 3/4-x,1/4-y,1/2+z " "3/4-x,y,3/4-z 1/2+x,1/4-y,3/4-z 1/2+z,x,1/2+y 1/2+z,1/4-x,3/4-y " "3/4-z,1/4-x,1/2+y 3/4-z,x,3/4-y 1/2+y,z,1/2+x 3/4-y,z,3/4-x " "1/2+y,1/4-z,3/4-x 3/4-y,1/4-z,1/2+x 1/2-x,-y,1/2-z 1/4+x,3/4+y,1/2-z " "1/4+x,-y,1/4+z 1/2-x,3/4+y,1/4+z 1/2-z,-x,1/2-y 1/2-z,3/4+x,1/4+y " "1/4+z,3/4+x,1/2-y 1/4+z,-x,1/4+y 1/2-y,-z,1/2-x 1/4+y,-z,1/4+x " "1/2-y,3/4+z,1/4+x 1/4+y,3/4+z,1/2-x 1/2+x,1/2+y,z 3/4-x,3/4-y,z " "3/4-x,1/2+y,1/4-z 1/2+x,3/4-y,1/4-z 1/2+z,1/2+x,y 1/2+z,3/4-x,1/4-y " "3/4-z,3/4-x,y 3/4-z,1/2+x,1/4-y 1/2+y,1/2+z,x 3/4-y,1/2+z,1/4-x " "1/2+y,3/4-z,1/4-x 3/4-y,3/4-z,x 1/2-x,1/2-y,-z 1/4+x,1/4+y,-z " "1/4+x,1/2-y,3/4+z 1/2-x,1/4+y,3/4+z 1/2-z,1/2-x,-y 1/2-z,1/4+x,3/4+y " "1/4+z,1/4+x,-y 1/4+z,1/2-x,3/4+y 1/2-y,1/2-z,-x 1/4+y,1/2-z,3/4+x " "1/2-y,1/4+z,3/4+x 1/4+y,1/4+z,-x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x -x,-y,-z x,y,-z x,-y,z -x,y,z -z,-x,-y -z,x,y z,x,-y 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1/2+y,1/2+z,x 1/2-y,1/2+z,-x " "1/2+y,1/2-z,-x 1/2-y,1/2-z,x 1/2+y,1/2+x,-z 1/2-y,1/2-x,-z 1/2+y,1/2-x,z " "1/2-y,1/2+x,z 1/2+x,1/2+z,-y 1/2-x,1/2+z,y 1/2-x,1/2-z,-y 1/2+x,1/2-z,y " "1/2+z,1/2+y,-x 1/2+z,1/2-y,x 1/2-z,1/2+y,x 1/2-z,1/2-y,-x", "x,y,z -x,1/2-y,1/2+z 1/2-x,1/2+y,-z 1/2+x,-y,1/2-z z,x,y 1/2+z,-x,1/2-y " "-z,1/2-x,1/2+y 1/2-z,1/2+x,-y y,z,x 1/2-y,1/2+z,-x 1/2+y,-z,1/2-x " "-y,1/2-z,1/2+x 3/4+y,1/4+x,3/4-z 1/4-y,1/4-x,1/4-z 1/4+y,3/4-x,3/4+z " "3/4-y,3/4+x,1/4+z 3/4+x,1/4+z,3/4-y 3/4-x,3/4+z,1/4+y 1/4-x,1/4-z,1/4-y " "1/4+x,3/4-z,3/4+y 3/4+z,1/4+y,3/4-x 1/4+z,3/4-y,3/4+x 3/4-z,3/4+y,1/4+x " "1/4-z,1/4-y,1/4-x x,1/2+y,1/2+z -x,-y,z 1/2-x,y,1/2-z 1/2+x,1/2-y,-z " "z,1/2+x,1/2+y 1/2+z,1/2-x,-y -z,-x,y 1/2-z,x,1/2-y y,1/2+z,1/2+x " "1/2-y,z,1/2-x 1/2+y,1/2-z,-x -y,-z,x 3/4+y,3/4+x,1/4-z 1/4-y,3/4-x,3/4-z " "1/4+y,1/4-x,1/4+z 3/4-y,1/4+x,3/4+z 3/4+x,3/4+z,1/4-y 3/4-x,1/4+z,3/4+y " "1/4-x,3/4-z,3/4-y 1/4+x,1/4-z,1/4+y 3/4+z,3/4+y,1/4-x 1/4+z,1/4-y,1/4+x " "3/4-z,1/4+y,3/4+x 1/4-z,3/4-y,3/4-x 1/2+x,y,1/2+z 1/2-x,1/2-y,z " "-x,1/2+y,1/2-z x,-y,-z 1/2+z,x,1/2+y z,-x,-y 1/2-z,1/2-x,y -z,1/2+x,1/2-y " "1/2+y,z,1/2+x -y,1/2+z,1/2-x y,-z,-x 1/2-y,1/2-z,x 1/4+y,1/4+x,1/4-z " "3/4-y,1/4-x,3/4-z 3/4+y,3/4-x,1/4+z 1/4-y,3/4+x,3/4+z 1/4+x,1/4+z,1/4-y " "1/4-x,3/4+z,3/4+y 3/4-x,1/4-z,3/4-y 3/4+x,3/4-z,1/4+y 1/4+z,1/4+y,1/4-x " "3/4+z,3/4-y,1/4+x 1/4-z,3/4+y,3/4+x 3/4-z,1/4-y,3/4-x 1/2+x,1/2+y,z " "1/2-x,-y,1/2+z -x,y,-z x,1/2-y,1/2-z 1/2+z,1/2+x,y z,1/2-x,1/2-y " "1/2-z,-x,1/2+y -z,x,-y 1/2+y,1/2+z,x -y,z,-x y,1/2-z,1/2-x 1/2-y,-z,1/2+x " "1/4+y,3/4+x,3/4-z 3/4-y,3/4-x,1/4-z 3/4+y,1/4-x,3/4+z 1/4-y,1/4+x,1/4+z " "1/4+x,3/4+z,3/4-y 1/4-x,1/4+z,1/4+y 3/4-x,3/4-z,1/4-y 3/4+x,1/4-z,3/4+y " "1/4+z,3/4+y,3/4-x 3/4+z,1/4-y,3/4+x 1/4-z,1/4+y,1/4+x 3/4-z,3/4-y,1/4-x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x y,x,-z -y,-x,-z y,-x,z -y,x,z x,z,-y -x,z,y -x,-z,-y x,-z,y " "z,y,-x z,-y,x -z,y,x -z,-y,-x 1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z " "1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,1/2-z 1/2+z,1/2+x,1/2+y 1/2+z,1/2-x,1/2-y " "1/2-z,1/2-x,1/2+y 1/2-z,1/2+x,1/2-y 1/2+y,1/2+z,1/2+x 1/2-y,1/2+z,1/2-x " "1/2+y,1/2-z,1/2-x 1/2-y,1/2-z,1/2+x 1/2+y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z " "1/2+y,1/2-x,1/2+z 1/2-y,1/2+x,1/2+z 1/2+x,1/2+z,1/2-y 1/2-x,1/2+z,1/2+y " "1/2-x,1/2-z,1/2-y 1/2+x,1/2-z,1/2+y 1/2+z,1/2+y,1/2-x 1/2+z,1/2-y,1/2+x " "1/2-z,1/2+y,1/2+x 1/2-z,1/2-y,1/2-x", "x,y,z 1/2-x,-y,1/2+z -x,1/2+y,1/2-z 1/2+x,1/2-y,-z z,x,y 1/2+z,1/2-x,-y " "1/2-z,-x,1/2+y -z,1/2+x,1/2-y y,z,x -y,1/2+z,1/2-x 1/2+y,1/2-z,-x " "1/2-y,-z,1/2+x 1/4+y,3/4+x,3/4-z 1/4-y,1/4-x,1/4-z 3/4+y,3/4-x,1/4+z " "3/4-y,1/4+x,3/4+z 1/4+x,3/4+z,3/4-y 3/4-x,1/4+z,3/4+y 1/4-x,1/4-z,1/4-y " "3/4+x,3/4-z,1/4+y 1/4+z,3/4+y,3/4-x 3/4+z,3/4-y,1/4+x 3/4-z,1/4+y,3/4+x " "1/4-z,1/4-y,1/4-x", "x,y,z 1/2-x,-y,1/2+z -x,1/2+y,1/2-z 1/2+x,1/2-y,-z z,x,y 1/2+z,1/2-x,-y " "1/2-z,-x,1/2+y -z,1/2+x,1/2-y y,z,x -y,1/2+z,1/2-x 1/2+y,1/2-z,-x " "1/2-y,-z,1/2+x 3/4+y,1/4+x,1/4-z 3/4-y,3/4-x,3/4-z 1/4+y,1/4-x,3/4+z " "1/4-y,3/4+x,1/4+z 3/4+x,1/4+z,1/4-y 1/4-x,3/4+z,1/4+y 3/4-x,3/4-z,3/4-y " "1/4+x,1/4-z,3/4+y 3/4+z,1/4+y,1/4-x 1/4+z,1/4-y,3/4+x 1/4-z,3/4+y,1/4+x " "3/4-z,3/4-y,3/4-x", "x,y,z 1/2-x,-y,1/2+z -x,1/2+y,1/2-z 1/2+x,1/2-y,-z z,x,y 1/2+z,1/2-x,-y " "1/2-z,-x,1/2+y -z,1/2+x,1/2-y y,z,x -y,1/2+z,1/2-x 1/2+y,1/2-z,-x " "1/2-y,-z,1/2+x 3/4+y,1/4+x,1/4-z 3/4-y,3/4-x,3/4-z 1/4+y,1/4-x,3/4+z " "1/4-y,3/4+x,1/4+z 3/4+x,1/4+z,1/4-y 1/4-x,3/4+z,1/4+y 3/4-x,3/4-z,3/4-y " "1/4+x,1/4-z,3/4+y 3/4+z,1/4+y,1/4-x 1/4+z,1/4-y,3/4+x 1/4-z,3/4+y,1/4+x " "3/4-z,3/4-y,3/4-x 1/2+x,1/2+y,1/2+z -x,1/2-y,z 1/2-x,y,-z x,-y,1/2-z " "1/2+z,1/2+x,1/2+y z,-x,1/2-y -z,1/2-x,y 1/2-z,x,-y 1/2+y,1/2+z,1/2+x " "1/2-y,z,-x y,-z,1/2-x -y,1/2-z,x 1/4+y,3/4+x,3/4-z 1/4-y,1/4-x,1/4-z " "3/4+y,3/4-x,1/4+z 3/4-y,1/4+x,3/4+z 1/4+x,3/4+z,3/4-y 3/4-x,1/4+z,3/4+y " "1/4-x,1/4-z,1/4-y 3/4+x,3/4-z,1/4+y 1/4+z,3/4+y,3/4-x 3/4+z,3/4-y,1/4+x " "3/4-z,1/4+y,3/4+x 1/4-z,1/4-y,1/4-x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x y,x,z -y,-x,z y,-x,-z -y,x,-z x,z,y -x,z,-y -x,-z,y x,-z,-y " "z,y,x z,-y,-x -z,y,-x -z,-y,x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x y,x,z -y,-x,z y,-x,-z -y,x,-z x,z,y -x,z,-y -x,-z,y x,-z,-y " "z,y,x z,-y,-x -z,y,-x -z,-y,x x,1/2+y,1/2+z -x,1/2-y,1/2+z -x,1/2+y,1/2-z " "x,1/2-y,1/2-z z,1/2+x,1/2+y z,1/2-x,1/2-y -z,1/2-x,1/2+y -z,1/2+x,1/2-y " "y,1/2+z,1/2+x -y,1/2+z,1/2-x y,1/2-z,1/2-x -y,1/2-z,1/2+x y,1/2+x,1/2+z " "-y,1/2-x,1/2+z y,1/2-x,1/2-z -y,1/2+x,1/2-z x,1/2+z,1/2+y -x,1/2+z,1/2-y " "-x,1/2-z,1/2+y x,1/2-z,1/2-y z,1/2+y,1/2+x z,1/2-y,1/2-x -z,1/2+y,1/2-x " "-z,1/2-y,1/2+x 1/2+x,y,1/2+z 1/2-x,-y,1/2+z 1/2-x,y,1/2-z 1/2+x,-y,1/2-z " "1/2+z,x,1/2+y 1/2+z,-x,1/2-y 1/2-z,-x,1/2+y 1/2-z,x,1/2-y 1/2+y,z,1/2+x " "1/2-y,z,1/2-x 1/2+y,-z,1/2-x 1/2-y,-z,1/2+x 1/2+y,x,1/2+z 1/2-y,-x,1/2+z " "1/2+y,-x,1/2-z 1/2-y,x,1/2-z 1/2+x,z,1/2+y 1/2-x,z,1/2-y 1/2-x,-z,1/2+y " "1/2+x,-z,1/2-y 1/2+z,y,1/2+x 1/2+z,-y,1/2-x 1/2-z,y,1/2-x 1/2-z,-y,1/2+x " "1/2+x,1/2+y,z 1/2-x,1/2-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z 1/2+z,1/2+x,y " "1/2+z,1/2-x,-y 1/2-z,1/2-x,y 1/2-z,1/2+x,-y 1/2+y,1/2+z,x 1/2-y,1/2+z,-x " "1/2+y,1/2-z,-x 1/2-y,1/2-z,x 1/2+y,1/2+x,z 1/2-y,1/2-x,z 1/2+y,1/2-x,-z " "1/2-y,1/2+x,-z 1/2+x,1/2+z,y 1/2-x,1/2+z,-y 1/2-x,1/2-z,y 1/2+x,1/2-z,-y " "1/2+z,1/2+y,x 1/2+z,1/2-y,-x 1/2-z,1/2+y,-x 1/2-z,1/2-y,x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x y,x,z -y,-x,z y,-x,-z -y,x,-z x,z,y -x,z,-y -x,-z,y x,-z,-y " "z,y,x z,-y,-x -z,y,-x -z,-y,x 1/2+x,1/2+y,1/2+z 1/2-x,1/2-y,1/2+z " "1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,1/2-z 1/2+z,1/2+x,1/2+y 1/2+z,1/2-x,1/2-y " "1/2-z,1/2-x,1/2+y 1/2-z,1/2+x,1/2-y 1/2+y,1/2+z,1/2+x 1/2-y,1/2+z,1/2-x " "1/2+y,1/2-z,1/2-x 1/2-y,1/2-z,1/2+x 1/2+y,1/2+x,1/2+z 1/2-y,1/2-x,1/2+z " "1/2+y,1/2-x,1/2-z 1/2-y,1/2+x,1/2-z 1/2+x,1/2+z,1/2+y 1/2-x,1/2+z,1/2-y " "1/2-x,1/2-z,1/2+y 1/2+x,1/2-z,1/2-y 1/2+z,1/2+y,1/2+x 1/2+z,1/2-y,1/2-x " "1/2-z,1/2+y,1/2-x 1/2-z,1/2-y,1/2+x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x 1/2+y,1/2+x,1/2+z 1/2-y,1/2-x,1/2+z 1/2+y,1/2-x,1/2-z " "1/2-y,1/2+x,1/2-z 1/2+x,1/2+z,1/2+y 1/2-x,1/2+z,1/2-y 1/2-x,1/2-z,1/2+y " "1/2+x,1/2-z,1/2-y 1/2+z,1/2+y,1/2+x 1/2+z,1/2-y,1/2-x 1/2-z,1/2+y,1/2-x " "1/2-z,1/2-y,1/2+x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x 1/2+y,1/2+x,1/2+z 1/2-y,1/2-x,1/2+z 1/2+y,1/2-x,1/2-z " "1/2-y,1/2+x,1/2-z 1/2+x,1/2+z,1/2+y 1/2-x,1/2+z,1/2-y 1/2-x,1/2-z,1/2+y " "1/2+x,1/2-z,1/2-y 1/2+z,1/2+y,1/2+x 1/2+z,1/2-y,1/2-x 1/2-z,1/2+y,1/2-x " "1/2-z,1/2-y,1/2+x x,1/2+y,1/2+z -x,1/2-y,1/2+z -x,1/2+y,1/2-z x,1/2-y,1/2-z " "z,1/2+x,1/2+y z,1/2-x,1/2-y -z,1/2-x,1/2+y -z,1/2+x,1/2-y y,1/2+z,1/2+x " "-y,1/2+z,1/2-x y,1/2-z,1/2-x -y,1/2-z,1/2+x 1/2+y,x,z 1/2-y,-x,z " "1/2+y,-x,-z 1/2-y,x,-z 1/2+x,z,y 1/2-x,z,-y 1/2-x,-z,y 1/2+x,-z,-y " "1/2+z,y,x 1/2+z,-y,-x 1/2-z,y,-x 1/2-z,-y,x 1/2+x,y,1/2+z 1/2-x,-y,1/2+z " "1/2-x,y,1/2-z 1/2+x,-y,1/2-z 1/2+z,x,1/2+y 1/2+z,-x,1/2-y 1/2-z,-x,1/2+y " "1/2-z,x,1/2-y 1/2+y,z,1/2+x 1/2-y,z,1/2-x 1/2+y,-z,1/2-x 1/2-y,-z,1/2+x " "y,1/2+x,z -y,1/2-x,z y,1/2-x,-z -y,1/2+x,-z x,1/2+z,y -x,1/2+z,-y " "-x,1/2-z,y x,1/2-z,-y z,1/2+y,x z,1/2-y,-x -z,1/2+y,-x -z,1/2-y,x " "1/2+x,1/2+y,z 1/2-x,1/2-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z 1/2+z,1/2+x,y " "1/2+z,1/2-x,-y 1/2-z,1/2-x,y 1/2-z,1/2+x,-y 1/2+y,1/2+z,x 1/2-y,1/2+z,-x " "1/2+y,1/2-z,-x 1/2-y,1/2-z,x y,x,1/2+z -y,-x,1/2+z y,-x,1/2-z -y,x,1/2-z " "x,z,1/2+y -x,z,1/2-y -x,-z,1/2+y x,-z,1/2-y z,y,1/2+x z,-y,1/2-x -z,y,1/2-x " "-z,-y,1/2+x", "x,y,z 1/2-x,-y,1/2+z -x,1/2+y,1/2-z 1/2+x,1/2-y,-z z,x,y 1/2+z,1/2-x,-y " "1/2-z,-x,1/2+y -z,1/2+x,1/2-y y,z,x -y,1/2+z,1/2-x 1/2+y,1/2-z,-x " "1/2-y,-z,1/2+x 1/4+y,1/4+x,1/4+z 1/4-y,3/4-x,3/4+z 3/4+y,1/4-x,3/4-z " "3/4-y,3/4+x,1/4-z 1/4+x,1/4+z,1/4+y 3/4-x,3/4+z,1/4-y 1/4-x,3/4-z,3/4+y " "3/4+x,1/4-z,3/4-y 1/4+z,1/4+y,1/4+x 3/4+z,1/4-y,3/4-x 3/4-z,3/4+y,1/4-x " "1/4-z,3/4-y,3/4+x 1/2+x,1/2+y,1/2+z -x,1/2-y,z 1/2-x,y,-z x,-y,1/2-z " "1/2+z,1/2+x,1/2+y z,-x,1/2-y -z,1/2-x,y 1/2-z,x,-y 1/2+y,1/2+z,1/2+x " "1/2-y,z,-x y,-z,1/2-x -y,1/2-z,x 3/4+y,3/4+x,3/4+z 3/4-y,1/4-x,1/4+z " "1/4+y,3/4-x,1/4-z 1/4-y,1/4+x,3/4-z 3/4+x,3/4+z,3/4+y 1/4-x,1/4+z,3/4-y " "3/4-x,1/4-z,1/4+y 1/4+x,3/4-z,1/4-y 3/4+z,3/4+y,3/4+x 1/4+z,3/4-y,1/4-x " "1/4-z,1/4+y,3/4-x 3/4-z,1/4-y,1/4+x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x y,x,-z -y,-x,-z y,-x,z -y,x,z x,z,-y -x,z,y -x,-z,-y x,-z,y " "z,y,-x z,-y,x -z,y,x -z,-y,-x -x,-y,-z x,y,-z x,-y,z -x,y,z -z,-x,-y -z,x,y " "z,x,-y z,-x,y -y,-z,-x y,-z,x -y,z,x y,z,-x -y,-x,z y,x,z -y,x,-z y,-x,-z " "-x,-z,y x,-z,-y x,z,y -x,z,-y -z,-y,x -z,y,-x z,-y,-x z,y,x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x y,x,-z -y,-x,-z y,-x,z -y,x,z x,z,-y -x,z,y -x,-z,-y x,-z,y " "z,y,-x z,-y,x -z,y,x -z,-y,-x -x+1/2,-y+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 " "x+1/2,-y+1/2,z+1/2 -x+1/2,y+1/2,z+1/2 -z+1/2,-x+1/2,-y+1/2 " "-z+1/2,x+1/2,y+1/2 z+1/2,x+1/2,-y+1/2 z+1/2,-x+1/2,y+1/2 " "-y+1/2,-z+1/2,-x+1/2 y+1/2,-z+1/2,x+1/2 -y+1/2,z+1/2,x+1/2 " "y+1/2,z+1/2,-x+1/2 -y+1/2,-x+1/2,z+1/2 y+1/2,x+1/2,z+1/2 " "-y+1/2,x+1/2,-z+1/2 y+1/2,-x+1/2,-z+1/2 -x+1/2,-z+1/2,y+1/2 " "x+1/2,-z+1/2,-y+1/2 x+1/2,z+1/2,y+1/2 -x+1/2,z+1/2,-y+1/2 " "-z+1/2,-y+1/2,x+1/2 -z+1/2,y+1/2,-x+1/2 z+1/2,-y+1/2,-x+1/2 " "z+1/2,y+1/2,x+1/2", "x,y,z 1/2-x,1/2-y,z 1/2-x,y,1/2-z x,1/2-y,1/2-z z,x,y z,1/2-x,1/2-y " "1/2-z,1/2-x,y 1/2-z,x,1/2-y y,z,x 1/2-y,z,1/2-x y,1/2-z,1/2-x 1/2-y,1/2-z,x " "y,x,1/2-z 1/2-y,1/2-x,1/2-z y,1/2-x,z 1/2-y,x,z x,z,1/2-y 1/2-x,z,y " "1/2-x,1/2-z,1/2-y x,1/2-z,y z,y,1/2-x z,1/2-y,x 1/2-z,y,x 1/2-z,1/2-y,1/2-x " "-x,-y,-z 1/2+x,1/2+y,-z 1/2+x,-y,1/2+z -x,1/2+y,1/2+z -z,-x,-y " "-z,1/2+x,1/2+y 1/2+z,1/2+x,-y 1/2+z,-x,1/2+y -y,-z,-x 1/2+y,-z,1/2+x " "-y,1/2+z,1/2+x 1/2+y,1/2+z,-x -y,-x,1/2+z 1/2+y,1/2+x,1/2+z -y,1/2+x,-z " "1/2+y,-x,-z -x,-z,1/2+y 1/2+x,-z,-y 1/2+x,1/2+z,1/2+y -x,1/2+z,-y " "-z,-y,1/2+x -z,1/2+y,-x 1/2+z,-y,-x 1/2+z,1/2+y,1/2+x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x 1/2+y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z 1/2+y,1/2-x,1/2+z " "1/2-y,1/2+x,1/2+z 1/2+x,1/2+z,1/2-y 1/2-x,1/2+z,1/2+y 1/2-x,1/2-z,1/2-y " "1/2+x,1/2-z,1/2+y 1/2+z,1/2+y,1/2-x 1/2+z,1/2-y,1/2+x 1/2-z,1/2+y,1/2+x " "1/2-z,1/2-y,1/2-x -x,-y,-z x,y,-z x,-y,z -x,y,z -z,-x,-y -z,x,y z,x,-y " "z,-x,y -y,-z,-x y,-z,x -y,z,x y,z,-x 1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z " "1/2-y,1/2+x,1/2-z 1/2+y,1/2-x,1/2-z 1/2-x,1/2-z,1/2+y 1/2+x,1/2-z,1/2-y " "1/2+x,1/2+z,1/2+y 1/2-x,1/2+z,1/2-y 1/2-z,1/2-y,1/2+x 1/2-z,1/2+y,1/2-x " "1/2+z,1/2-y,1/2-x 1/2+z,1/2+y,1/2+x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x 1/2+y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z 1/2+y,1/2-x,1/2+z " "1/2-y,1/2+x,1/2+z 1/2+x,1/2+z,1/2-y 1/2-x,1/2+z,1/2+y 1/2-x,1/2-z,1/2-y " "1/2+x,1/2-z,1/2+y 1/2+z,1/2+y,1/2-x 1/2+z,1/2-y,1/2+x 1/2-z,1/2+y,1/2+x " "1/2-z,1/2-y,1/2-x 1/2-x,1/2-y,1/2-z 1/2+x,1/2+y,1/2-z 1/2+x,1/2-y,1/2+z " "1/2-x,1/2+y,1/2+z 1/2-z,1/2-x,1/2-y 1/2-z,1/2+x,1/2+y 1/2+z,1/2+x,1/2-y " "1/2+z,1/2-x,1/2+y 1/2-y,1/2-z,1/2-x 1/2+y,1/2-z,1/2+x 1/2-y,1/2+z,1/2+x " "1/2+y,1/2+z,1/2-x -y,-x,z y,x,z -y,x,-z y,-x,-z -x,-z,y x,-z,-y x,z,y " "-x,z,-y -z,-y,x -z,y,-x z,-y,-x z,y,x", "x,y,z 1/2-x,1/2-y,z 1/2-x,y,1/2-z x,1/2-y,1/2-z z,x,y z,1/2-x,1/2-y " "1/2-z,1/2-x,y 1/2-z,x,1/2-y y,z,x 1/2-y,z,1/2-x y,1/2-z,1/2-x 1/2-y,1/2-z,x " "1/2+y,1/2+x,-z -y,-x,-z 1/2+y,-x,1/2+z -y,1/2+x,1/2+z 1/2+x,1/2+z,-y " "-x,1/2+z,1/2+y -x,-z,-y 1/2+x,-z,1/2+y 1/2+z,1/2+y,-x 1/2+z,-y,1/2+x " "-z,1/2+y,1/2+x -z,-y,-x -x,-y,-z 1/2+x,1/2+y,-z 1/2+x,-y,1/2+z " "-x,1/2+y,1/2+z -z,-x,-y -z,1/2+x,1/2+y 1/2+z,1/2+x,-y 1/2+z,-x,1/2+y " "-y,-z,-x 1/2+y,-z,1/2+x -y,1/2+z,1/2+x 1/2+y,1/2+z,-x 1/2-y,1/2-x,z y,x,z " "1/2-y,x,1/2-z y,1/2-x,1/2-z 1/2-x,1/2-z,y x,1/2-z,1/2-y x,z,y 1/2-x,z,1/2-y " "1/2-z,1/2-y,x 1/2-z,y,1/2-x z,1/2-y,1/2-x z,y,x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x y,x,-z -y,-x,-z y,-x,z -y,x,z x,z,-y -x,z,y -x,-z,-y x,-z,y " "z,y,-x z,-y,x -z,y,x -z,-y,-x -x,-y,-z x,y,-z x,-y,z -x,y,z -z,-x,-y -z,x,y " "z,x,-y z,-x,y -y,-z,-x y,-z,x -y,z,x y,z,-x -y,-x,z y,x,z -y,x,-z y,-x,-z " "-x,-z,y x,-z,-y x,z,y -x,z,-y -z,-y,x -z,y,-x z,-y,-x z,y,x x,1/2+y,1/2+z " "-x,1/2-y,1/2+z -x,1/2+y,1/2-z x,1/2-y,1/2-z z,1/2+x,1/2+y z,1/2-x,1/2-y " "-z,1/2-x,1/2+y -z,1/2+x,1/2-y y,1/2+z,1/2+x -y,1/2+z,1/2-x y,1/2-z,1/2-x " "-y,1/2-z,1/2+x y,1/2+x,1/2-z -y,1/2-x,1/2-z y,1/2-x,1/2+z -y,1/2+x,1/2+z " "x,1/2+z,1/2-y -x,1/2+z,1/2+y -x,1/2-z,1/2-y x,1/2-z,1/2+y z,1/2+y,1/2-x " "z,1/2-y,1/2+x -z,1/2+y,1/2+x -z,1/2-y,1/2-x -x,1/2-y,1/2-z x,1/2+y,1/2-z " "x,1/2-y,1/2+z -x,1/2+y,1/2+z -z,1/2-x,1/2-y -z,1/2+x,1/2+y z,1/2+x,1/2-y " "z,1/2-x,1/2+y -y,1/2-z,1/2-x y,1/2-z,1/2+x -y,1/2+z,1/2+x y,1/2+z,1/2-x " "-y,1/2-x,1/2+z y,1/2+x,1/2+z -y,1/2+x,1/2-z y,1/2-x,1/2-z -x,1/2-z,1/2+y " "x,1/2-z,1/2-y x,1/2+z,1/2+y -x,1/2+z,1/2-y -z,1/2-y,1/2+x -z,1/2+y,1/2-x " "z,1/2-y,1/2-x z,1/2+y,1/2+x 1/2+x,y,1/2+z 1/2-x,-y,1/2+z 1/2-x,y,1/2-z " "1/2+x,-y,1/2-z 1/2+z,x,1/2+y 1/2+z,-x,1/2-y 1/2-z,-x,1/2+y 1/2-z,x,1/2-y " "1/2+y,z,1/2+x 1/2-y,z,1/2-x 1/2+y,-z,1/2-x 1/2-y,-z,1/2+x 1/2+y,x,1/2-z " "1/2-y,-x,1/2-z 1/2+y,-x,1/2+z 1/2-y,x,1/2+z 1/2+x,z,1/2-y 1/2-x,z,1/2+y " "1/2-x,-z,1/2-y 1/2+x,-z,1/2+y 1/2+z,y,1/2-x 1/2+z,-y,1/2+x 1/2-z,y,1/2+x " "1/2-z,-y,1/2-x 1/2-x,-y,1/2-z 1/2+x,y,1/2-z 1/2+x,-y,1/2+z 1/2-x,y,1/2+z " "1/2-z,-x,1/2-y 1/2-z,x,1/2+y 1/2+z,x,1/2-y 1/2+z,-x,1/2+y 1/2-y,-z,1/2-x " "1/2+y,-z,1/2+x 1/2-y,z,1/2+x 1/2+y,z,1/2-x 1/2-y,-x,1/2+z 1/2+y,x,1/2+z " "1/2-y,x,1/2-z 1/2+y,-x,1/2-z 1/2-x,-z,1/2+y 1/2+x,-z,1/2-y 1/2+x,z,1/2+y " "1/2-x,z,1/2-y 1/2-z,-y,1/2+x 1/2-z,y,1/2-x 1/2+z,-y,1/2-x 1/2+z,y,1/2+x " "1/2+x,1/2+y,z 1/2-x,1/2-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z 1/2+z,1/2+x,y " "1/2+z,1/2-x,-y 1/2-z,1/2-x,y 1/2-z,1/2+x,-y 1/2+y,1/2+z,x 1/2-y,1/2+z,-x " "1/2+y,1/2-z,-x 1/2-y,1/2-z,x 1/2+y,1/2+x,-z 1/2-y,1/2-x,-z 1/2+y,1/2-x,z " "1/2-y,1/2+x,z 1/2+x,1/2+z,-y 1/2-x,1/2+z,y 1/2-x,1/2-z,-y 1/2+x,1/2-z,y " "1/2+z,1/2+y,-x 1/2+z,1/2-y,x 1/2-z,1/2+y,x 1/2-z,1/2-y,-x 1/2-x,1/2-y,-z " "1/2+x,1/2+y,-z 1/2+x,1/2-y,z 1/2-x,1/2+y,z 1/2-z,1/2-x,-y 1/2-z,1/2+x,y " "1/2+z,1/2+x,-y 1/2+z,1/2-x,y 1/2-y,1/2-z,-x 1/2+y,1/2-z,x 1/2-y,1/2+z,x " "1/2+y,1/2+z,-x 1/2-y,1/2-x,z 1/2+y,1/2+x,z 1/2-y,1/2+x,-z 1/2+y,1/2-x,-z " "1/2-x,1/2-z,y 1/2+x,1/2-z,-y 1/2+x,1/2+z,y 1/2-x,1/2+z,-y 1/2-z,1/2-y,x " "1/2-z,1/2+y,-x 1/2+z,1/2-y,-x 1/2+z,1/2+y,x", "x,y,z -x,-y,z -x,y,-z x,-y,-z z,x,y z,-x,-y -z,-x,y -z,x,-y y,z,x -y,z,-x " "y,-z,-x -y,-z,x 1/2+y,1/2+x,1/2-z 1/2-y,1/2-x,1/2-z 1/2+y,1/2-x,1/2+z " "1/2-y,1/2+x,1/2+z 1/2+x,1/2+z,1/2-y 1/2-x,1/2+z,1/2+y 1/2-x,1/2-z,1/2-y " "1/2+x,1/2-z,1/2+y 1/2+z,1/2+y,1/2-x 1/2+z,1/2-y,1/2+x 1/2-z,1/2+y,1/2+x " "1/2-z,1/2-y,1/2-x -x,-y,-z x,y,-z x,-y,z -x,y,z -z,-x,-y -z,x,y z,x,-y " "z,-x,y -y,-z,-x y,-z,x -y,z,x y,z,-x 1/2-y,1/2-x,1/2+z 1/2+y,1/2+x,1/2+z " "1/2-y,1/2+x,1/2-z 1/2+y,1/2-x,1/2-z 1/2-x,1/2-z,1/2+y 1/2+x,1/2-z,1/2-y " "1/2+x,1/2+z,1/2+y 1/2-x,1/2+z,1/2-y 1/2-z,1/2-y,1/2+x 1/2-z,1/2+y,1/2-x " "1/2+z,1/2-y,1/2-x 1/2+z,1/2+y,1/2+x x,1/2+y,1/2+z -x,1/2-y,1/2+z " "-x,1/2+y,1/2-z x,1/2-y,1/2-z z,1/2+x,1/2+y z,1/2-x,1/2-y -z,1/2-x,1/2+y " "-z,1/2+x,1/2-y y,1/2+z,1/2+x -y,1/2+z,1/2-x y,1/2-z,1/2-x -y,1/2-z,1/2+x " "1/2+y,x,-z 1/2-y,-x,-z 1/2+y,-x,z 1/2-y,x,z 1/2+x,z,-y 1/2-x,z,y " "1/2-x,-z,-y 1/2+x,-z,y 1/2+z,y,-x 1/2+z,-y,x 1/2-z,y,x 1/2-z,-y,-x " "-x,1/2-y,1/2-z x,1/2+y,1/2-z x,1/2-y,1/2+z -x,1/2+y,1/2+z -z,1/2-x,1/2-y " "-z,1/2+x,1/2+y z,1/2+x,1/2-y z,1/2-x,1/2+y -y,1/2-z,1/2-x y,1/2-z,1/2+x " "-y,1/2+z,1/2+x y,1/2+z,1/2-x 1/2-y,-x,z 1/2+y,x,z 1/2-y,x,-z 1/2+y,-x,-z " "1/2-x,-z,y 1/2+x,-z,-y 1/2+x,z,y 1/2-x,z,-y 1/2-z,-y,x 1/2-z,y,-x " "1/2+z,-y,-x 1/2+z,y,x 1/2+x,y,1/2+z 1/2-x,-y,1/2+z 1/2-x,y,1/2-z " "1/2+x,-y,1/2-z 1/2+z,x,1/2+y 1/2+z,-x,1/2-y 1/2-z,-x,1/2+y 1/2-z,x,1/2-y " "1/2+y,z,1/2+x 1/2-y,z,1/2-x 1/2+y,-z,1/2-x 1/2-y,-z,1/2+x y,1/2+x,-z " "-y,1/2-x,-z y,1/2-x,z -y,1/2+x,z x,1/2+z,-y -x,1/2+z,y -x,1/2-z,-y " "x,1/2-z,y z,1/2+y,-x z,1/2-y,x -z,1/2+y,x -z,1/2-y,-x 1/2-x,-y,1/2-z " "1/2+x,y,1/2-z 1/2+x,-y,1/2+z 1/2-x,y,1/2+z 1/2-z,-x,1/2-y 1/2-z,x,1/2+y " "1/2+z,x,1/2-y 1/2+z,-x,1/2+y 1/2-y,-z,1/2-x 1/2+y,-z,1/2+x 1/2-y,z,1/2+x " "1/2+y,z,1/2-x -y,1/2-x,z y,1/2+x,z -y,1/2+x,-z y,1/2-x,-z -x,1/2-z,y " "x,1/2-z,-y x,1/2+z,y -x,1/2+z,-y -z,1/2-y,x -z,1/2+y,-x z,1/2-y,-x " "z,1/2+y,x 1/2+x,1/2+y,z 1/2-x,1/2-y,z 1/2-x,1/2+y,-z 1/2+x,1/2-y,-z " "1/2+z,1/2+x,y 1/2+z,1/2-x,-y 1/2-z,1/2-x,y 1/2-z,1/2+x,-y 1/2+y,1/2+z,x " "1/2-y,1/2+z,-x 1/2+y,1/2-z,-x 1/2-y,1/2-z,x y,x,1/2-z -y,-x,1/2-z " "y,-x,1/2+z -y,x,1/2+z x,z,1/2-y -x,z,1/2+y -x,-z,1/2-y x,-z,1/2+y z,y,1/2-x " "z,-y,1/2+x -z,y,1/2+x -z,-y,1/2-x 1/2-x,1/2-y,-z 1/2+x,1/2+y,-z " "1/2+x,1/2-y,z 1/2-x,1/2+y,z 1/2-z,1/2-x,-y 1/2-z,1/2+x,y 1/2+z,1/2+x,-y " "1/2+z,1/2-x,y 1/2-y,1/2-z,-x 1/2+y,1/2-z,x 1/2-y,1/2+z,x 1/2+y,1/2+z,-x " "-y,-x,1/2+z y,x,1/2+z -y,x,1/2-z y,-x,1/2-z -x,-z,1/2+y x,-z,1/2-y " "x,z,1/2+y -x,z,1/2-y -z,-y,1/2+x -z,y,1/2-x z,-y,1/2-x z,y,1/2+x", "x,y,z -x,1/2-y,1/2+z 1/2-x,1/2+y,-z 1/2+x,-y,1/2-z z,x,y 1/2+z,-x,1/2-y " "-z,1/2-x,1/2+y 1/2-z,1/2+x,-y y,z,x 1/2-y,1/2+z,-x 1/2+y,-z,1/2-x " "-y,1/2-z,1/2+x 3/4+y,1/4+x,3/4-z 1/4-y,1/4-x,1/4-z 1/4+y,3/4-x,3/4+z " "3/4-y,3/4+x,1/4+z 3/4+x,1/4+z,3/4-y 3/4-x,3/4+z,1/4+y 1/4-x,1/4-z,1/4-y " "1/4+x,3/4-z,3/4+y 3/4+z,1/4+y,3/4-x 1/4+z,3/4-y,3/4+x 3/4-z,3/4+y,1/4+x " "1/4-z,1/4-y,1/4-x 1/4-x,1/4-y,1/4-z 1/4+x,3/4+y,3/4-z 3/4+x,3/4-y,1/4+z " "3/4-x,1/4+y,3/4+z 1/4-z,1/4-x,1/4-y 3/4-z,1/4+x,3/4+y 1/4+z,3/4+x,3/4-y " "3/4+z,3/4-x,1/4+y 1/4-y,1/4-z,1/4-x 3/4+y,3/4-z,1/4+x 3/4-y,1/4+z,3/4+x " "1/4+y,3/4+z,3/4-x 1/2-y,-x,1/2+z y,x,z -y,1/2+x,1/2-z 1/2+y,1/2-x,-z " "1/2-x,-z,1/2+y 1/2+x,1/2-z,-y x,z,y -x,1/2+z,1/2-y 1/2-z,-y,1/2+x " "-z,1/2+y,1/2-x 1/2+z,1/2-y,-x z,y,x x,1/2+y,1/2+z -x,-y,z 1/2-x,y,1/2-z " "1/2+x,1/2-y,-z z,1/2+x,1/2+y 1/2+z,1/2-x,-y -z,-x,y 1/2-z,x,1/2-y " "y,1/2+z,1/2+x 1/2-y,z,1/2-x 1/2+y,1/2-z,-x -y,-z,x 3/4+y,3/4+x,1/4-z " "1/4-y,3/4-x,3/4-z 1/4+y,1/4-x,1/4+z 3/4-y,1/4+x,3/4+z 3/4+x,3/4+z,1/4-y " "3/4-x,1/4+z,3/4+y 1/4-x,3/4-z,3/4-y 1/4+x,1/4-z,1/4+y 3/4+z,3/4+y,1/4-x " "1/4+z,1/4-y,1/4+x 3/4-z,1/4+y,3/4+x 1/4-z,3/4-y,3/4-x 1/4-x,3/4-y,3/4-z " "1/4+x,1/4+y,1/4-z 3/4+x,1/4-y,3/4+z 3/4-x,3/4+y,1/4+z 1/4-z,3/4-x,3/4-y " "3/4-z,3/4+x,1/4+y 1/4+z,1/4+x,1/4-y 3/4+z,1/4-x,3/4+y 1/4-y,3/4-z,3/4-x " "3/4+y,1/4-z,3/4+x 3/4-y,3/4+z,1/4+x 1/4+y,1/4+z,1/4-x 1/2-y,1/2-x,z " "y,1/2+x,1/2+z -y,x,-z 1/2+y,-x,1/2-z 1/2-x,1/2-z,y 1/2+x,-z,1/2-y " "x,1/2+z,1/2+y -x,z,-y 1/2-z,1/2-y,x -z,y,-x 1/2+z,-y,1/2-x z,1/2+y,1/2+x " "1/2+x,y,1/2+z 1/2-x,1/2-y,z -x,1/2+y,1/2-z x,-y,-z 1/2+z,x,1/2+y z,-x,-y " "1/2-z,1/2-x,y -z,1/2+x,1/2-y 1/2+y,z,1/2+x -y,1/2+z,1/2-x y,-z,-x " "1/2-y,1/2-z,x 1/4+y,1/4+x,1/4-z 3/4-y,1/4-x,3/4-z 3/4+y,3/4-x,1/4+z " "1/4-y,3/4+x,3/4+z 1/4+x,1/4+z,1/4-y 1/4-x,3/4+z,3/4+y 3/4-x,1/4-z,3/4-y " "3/4+x,3/4-z,1/4+y 1/4+z,1/4+y,1/4-x 3/4+z,3/4-y,1/4+x 1/4-z,3/4+y,3/4+x " "3/4-z,1/4-y,3/4-x 3/4-x,1/4-y,3/4-z 3/4+x,3/4+y,1/4-z 1/4+x,3/4-y,3/4+z " "1/4-x,1/4+y,1/4+z 3/4-z,1/4-x,3/4-y 1/4-z,1/4+x,1/4+y 3/4+z,3/4+x,1/4-y " "1/4+z,3/4-x,3/4+y 3/4-y,1/4-z,3/4-x 1/4+y,3/4-z,3/4+x 1/4-y,1/4+z,1/4+x " "3/4+y,3/4+z,1/4-x -y,-x,z 1/2+y,x,1/2+z 1/2-y,1/2+x,-z y,1/2-x,1/2-z " "-x,-z,y x,1/2-z,1/2-y 1/2+x,z,1/2+y 1/2-x,1/2+z,-y -z,-y,x 1/2-z,1/2+y,-x " "z,1/2-y,1/2-x 1/2+z,y,1/2+x 1/2+x,1/2+y,z 1/2-x,-y,1/2+z -x,y,-z " "x,1/2-y,1/2-z 1/2+z,1/2+x,y z,1/2-x,1/2-y 1/2-z,-x,1/2+y -z,x,-y " "1/2+y,1/2+z,x -y,z,-x y,1/2-z,1/2-x 1/2-y,-z,1/2+x 1/4+y,3/4+x,3/4-z " "3/4-y,3/4-x,1/4-z 3/4+y,1/4-x,3/4+z 1/4-y,1/4+x,1/4+z 1/4+x,3/4+z,3/4-y " "1/4-x,1/4+z,1/4+y 3/4-x,3/4-z,1/4-y 3/4+x,1/4-z,3/4+y 1/4+z,3/4+y,3/4-x " "3/4+z,1/4-y,3/4+x 1/4-z,1/4+y,1/4+x 3/4-z,3/4-y,1/4-x 3/4-x,3/4-y,1/4-z " "3/4+x,1/4+y,3/4-z 1/4+x,1/4-y,1/4+z 1/4-x,3/4+y,3/4+z 3/4-z,3/4-x,1/4-y " "1/4-z,3/4+x,3/4+y 3/4+z,1/4+x,3/4-y 1/4+z,1/4-x,1/4+y 3/4-y,3/4-z,1/4-x " "1/4+y,1/4-z,1/4+x 1/4-y,3/4+z,3/4+x 3/4+y,1/4+z,3/4-x -y,1/2-x,1/2+z " "1/2+y,1/2+x,z 1/2-y,x,1/2-z y,-x,-z -x,1/2-z,1/2+y x,-z,-y 1/2+x,1/2+z,y " "1/2-x,z,1/2-y -z,1/2-y,1/2+x 1/2-z,y,1/2-x z,-y,-x 1/2+z,1/2+y,x", "x,y,z 3/4-x,1/4-y,1/2+z 1/4-x,1/2+y,3/4-z 1/2+x,3/4-y,1/4-z z,x,y " "1/2+z,3/4-x,1/4-y 3/4-z,1/4-x,1/2+y 1/4-z,1/2+x,3/4-y y,z,x " "1/4-y,1/2+z,3/4-x 1/2+y,3/4-z,1/4-x 3/4-y,1/4-z,1/2+x 3/4+y,1/4+x,1/2-z " "-y,-x,-z 1/4+y,1/2-x,3/4+z 1/2-y,3/4+x,1/4+z 3/4+x,1/4+z,1/2-y " "1/2-x,3/4+z,1/4+y -x,-z,-y 1/4+x,1/2-z,3/4+y 3/4+z,1/4+y,1/2-x " "1/4+z,1/2-y,3/4+x 1/2-z,3/4+y,1/4+x -z,-y,-x -x,-y,-z 1/4+x,3/4+y,1/2-z " "3/4+x,1/2-y,1/4+z 1/2-x,1/4+y,3/4+z -z,-x,-y 1/2-z,1/4+x,3/4+y " "1/4+z,3/4+x,1/2-y 3/4+z,1/2-x,1/4+y -y,-z,-x 3/4+y,1/2-z,1/4+x " "1/2-y,1/4+z,3/4+x 1/4+y,3/4+z,1/2-x 1/4-y,3/4-x,1/2+z y,x,z " "3/4-y,1/2+x,1/4-z 1/2+y,1/4-x,3/4-z 1/4-x,3/4-z,1/2+y 1/2+x,1/4-z,3/4-y " "x,z,y 3/4-x,1/2+z,1/4-y 1/4-z,3/4-y,1/2+x 3/4-z,1/2+y,1/4-x " "1/2+z,1/4-y,3/4-x z,y,x x,1/2+y,1/2+z 3/4-x,3/4-y,z 1/4-x,y,1/4-z " "1/2+x,1/4-y,3/4-z z,1/2+x,1/2+y 1/2+z,1/4-x,3/4-y 3/4-z,3/4-x,y " "1/4-z,x,1/4-y y,1/2+z,1/2+x 1/4-y,z,1/4-x 1/2+y,1/4-z,3/4-x 3/4-y,3/4-z,x " "3/4+y,3/4+x,-z -y,1/2-x,1/2-z 1/4+y,-x,1/4+z 1/2-y,1/4+x,3/4+z " "3/4+x,3/4+z,-y 1/2-x,1/4+z,3/4+y -x,1/2-z,1/2-y 1/4+x,-z,1/4+y " "3/4+z,3/4+y,-x 1/4+z,-y,1/4+x 1/2-z,1/4+y,3/4+x -z,1/2-y,1/2-x " "-x,1/2-y,1/2-z 1/4+x,1/4+y,-z 3/4+x,-y,3/4+z 1/2-x,3/4+y,1/4+z " "-z,1/2-x,1/2-y 1/2-z,3/4+x,1/4+y 1/4+z,1/4+x,-y 3/4+z,-x,3/4+y " "-y,1/2-z,1/2-x 3/4+y,-z,3/4+x 1/2-y,3/4+z,1/4+x 1/4+y,1/4+z,-x " "1/4-y,1/4-x,z y,1/2+x,1/2+z 3/4-y,x,3/4-z 1/2+y,3/4-x,1/4-z 1/4-x,1/4-z,y " "1/2+x,3/4-z,1/4-y x,1/2+z,1/2+y 3/4-x,z,3/4-y 1/4-z,1/4-y,x 3/4-z,y,3/4-x " "1/2+z,3/4-y,1/4-x z,1/2+y,1/2+x 1/2+x,y,1/2+z 1/4-x,1/4-y,z " "3/4-x,1/2+y,1/4-z x,3/4-y,3/4-z 1/2+z,x,1/2+y z,3/4-x,3/4-y 1/4-z,1/4-x,y " "3/4-z,1/2+x,1/4-y 1/2+y,z,1/2+x 3/4-y,1/2+z,1/4-x y,3/4-z,3/4-x " "1/4-y,1/4-z,x 1/4+y,1/4+x,-z 1/2-y,-x,1/2-z 3/4+y,1/2-x,1/4+z " "-y,3/4+x,3/4+z 1/4+x,1/4+z,-y -x,3/4+z,3/4+y 1/2-x,-z,1/2-y " "3/4+x,1/2-z,1/4+y 1/4+z,1/4+y,-x 3/4+z,1/2-y,1/4+x -z,3/4+y,3/4+x " "1/2-z,-y,1/2-x 1/2-x,-y,1/2-z 3/4+x,3/4+y,-z 1/4+x,1/2-y,3/4+z " "-x,1/4+y,1/4+z 1/2-z,-x,1/2-y -z,1/4+x,1/4+y 3/4+z,3/4+x,-y " "1/4+z,1/2-x,3/4+y 1/2-y,-z,1/2-x 1/4+y,1/2-z,3/4+x -y,1/4+z,1/4+x " "3/4+y,3/4+z,-x 3/4-y,3/4-x,z 1/2+y,x,1/2+z 1/4-y,1/2+x,3/4-z y,1/4-x,1/4-z " "3/4-x,3/4-z,y x,1/4-z,1/4-y 1/2+x,z,1/2+y 1/4-x,1/2+z,3/4-y 3/4-z,3/4-y,x " "1/4-z,1/2+y,3/4-x z,1/4-y,1/4-x 1/2+z,y,1/2+x 1/2+x,1/2+y,z " "1/4-x,3/4-y,1/2+z 3/4-x,y,3/4-z x,1/4-y,1/4-z 1/2+z,1/2+x,y z,1/4-x,1/4-y " "1/4-z,3/4-x,1/2+y 3/4-z,x,3/4-y 1/2+y,1/2+z,x 3/4-y,z,3/4-x y,1/4-z,1/4-x " "1/4-y,3/4-z,1/2+x 1/4+y,3/4+x,1/2-z 1/2-y,1/2-x,-z 3/4+y,-x,3/4+z " "-y,1/4+x,1/4+z 1/4+x,3/4+z,1/2-y -x,1/4+z,1/4+y 1/2-x,1/2-z,-y " "3/4+x,-z,3/4+y 1/4+z,3/4+y,1/2-x 3/4+z,-y,3/4+x -z,1/4+y,1/4+x " "1/2-z,1/2-y,-x 1/2-x,1/2-y,-z 3/4+x,1/4+y,1/2-z 1/4+x,-y,1/4+z " "-x,3/4+y,3/4+z 1/2-z,1/2-x,-y -z,3/4+x,3/4+y 3/4+z,1/4+x,1/2-y " "1/4+z,-x,1/4+y 1/2-y,1/2-z,-x 1/4+y,-z,1/4+x -y,3/4+z,3/4+x " "3/4+y,1/4+z,1/2-x 3/4-y,1/4-x,1/2+z 1/2+y,1/2+x,z 1/4-y,x,1/4-z " "y,3/4-x,3/4-z 3/4-x,1/4-z,1/2+y x,3/4-z,3/4-y 1/2+x,1/2+z,y 1/4-x,z,1/4-y " "3/4-z,1/4-y,1/2+x 1/4-z,y,1/4-x z,3/4-y,3/4-x 1/2+z,1/2+y,x", "x,y,z -x,1/2-y,1/2+z 1/2-x,1/2+y,-z 1/2+x,-y,1/2-z z,x,y 1/2+z,-x,1/2-y " "-z,1/2-x,1/2+y 1/2-z,1/2+x,-y y,z,x 1/2-y,1/2+z,-x 1/2+y,-z,1/2-x " "-y,1/2-z,1/2+x 3/4+y,1/4+x,3/4-z 1/4-y,1/4-x,1/4-z 1/4+y,3/4-x,3/4+z " "3/4-y,3/4+x,1/4+z 3/4+x,1/4+z,3/4-y 3/4-x,3/4+z,1/4+y 1/4-x,1/4-z,1/4-y " "1/4+x,3/4-z,3/4+y 3/4+z,1/4+y,3/4-x 1/4+z,3/4-y,3/4+x 3/4-z,3/4+y,1/4+x " "1/4-z,1/4-y,1/4-x 3/4-x,3/4-y,3/4-z 3/4+x,1/4+y,1/4-z 1/4+x,1/4-y,3/4+z " "1/4-x,3/4+y,1/4+z 3/4-z,3/4-x,3/4-y 1/4-z,3/4+x,1/4+y 3/4+z,1/4+x,1/4-y " "1/4+z,1/4-x,3/4+y 3/4-y,3/4-z,3/4-x 1/4+y,1/4-z,3/4+x 1/4-y,3/4+z,1/4+x " "3/4+y,1/4+z,1/4-x -y,1/2-x,z 1/2+y,1/2+x,1/2+z 1/2-y,x,-z y,-x,1/2-z " "-x,1/2-z,y x,-z,1/2-y 1/2+x,1/2+z,1/2+y 1/2-x,z,-y -z,1/2-y,x 1/2-z,y,-x " "z,-y,1/2-x 1/2+z,1/2+y,1/2+x x,1/2+y,1/2+z -x,-y,z 1/2-x,y,1/2-z " "1/2+x,1/2-y,-z z,1/2+x,1/2+y 1/2+z,1/2-x,-y -z,-x,y 1/2-z,x,1/2-y " "y,1/2+z,1/2+x 1/2-y,z,1/2-x 1/2+y,1/2-z,-x -y,-z,x 3/4+y,3/4+x,1/4-z " "1/4-y,3/4-x,3/4-z 1/4+y,1/4-x,1/4+z 3/4-y,1/4+x,3/4+z 3/4+x,3/4+z,1/4-y " "3/4-x,1/4+z,3/4+y 1/4-x,3/4-z,3/4-y 1/4+x,1/4-z,1/4+y 3/4+z,3/4+y,1/4-x " "1/4+z,1/4-y,1/4+x 3/4-z,1/4+y,3/4+x 1/4-z,3/4-y,3/4-x 3/4-x,1/4-y,1/4-z " "3/4+x,3/4+y,3/4-z 1/4+x,3/4-y,1/4+z 1/4-x,1/4+y,3/4+z 3/4-z,1/4-x,1/4-y " "1/4-z,1/4+x,3/4+y 3/4+z,3/4+x,3/4-y 1/4+z,3/4-x,1/4+y 3/4-y,1/4-z,1/4-x " "1/4+y,3/4-z,1/4+x 1/4-y,1/4+z,3/4+x 3/4+y,3/4+z,3/4-x -y,-x,1/2+z 1/2+y,x,z " "1/2-y,1/2+x,1/2-z y,1/2-x,-z -x,-z,1/2+y x,1/2-z,-y 1/2+x,z,y " "1/2-x,1/2+z,1/2-y -z,-y,1/2+x 1/2-z,1/2+y,1/2-x z,1/2-y,-x 1/2+z,y,x " "1/2+x,y,1/2+z 1/2-x,1/2-y,z -x,1/2+y,1/2-z x,-y,-z 1/2+z,x,1/2+y z,-x,-y " "1/2-z,1/2-x,y -z,1/2+x,1/2-y 1/2+y,z,1/2+x -y,1/2+z,1/2-x y,-z,-x " "1/2-y,1/2-z,x 1/4+y,1/4+x,1/4-z 3/4-y,1/4-x,3/4-z 3/4+y,3/4-x,1/4+z " "1/4-y,3/4+x,3/4+z 1/4+x,1/4+z,1/4-y 1/4-x,3/4+z,3/4+y 3/4-x,1/4-z,3/4-y " "3/4+x,3/4-z,1/4+y 1/4+z,1/4+y,1/4-x 3/4+z,3/4-y,1/4+x 1/4-z,3/4+y,3/4+x " "3/4-z,1/4-y,3/4-x 1/4-x,3/4-y,1/4-z 1/4+x,1/4+y,3/4-z 3/4+x,1/4-y,1/4+z " "3/4-x,3/4+y,3/4+z 1/4-z,3/4-x,1/4-y 3/4-z,3/4+x,3/4+y 1/4+z,1/4+x,3/4-y " "3/4+z,1/4-x,1/4+y 1/4-y,3/4-z,1/4-x 3/4+y,1/4-z,1/4+x 3/4-y,3/4+z,3/4+x " "1/4+y,1/4+z,3/4-x 1/2-y,1/2-x,1/2+z y,1/2+x,z -y,x,1/2-z 1/2+y,-x,-z " "1/2-x,1/2-z,1/2+y 1/2+x,-z,-y x,1/2+z,y -x,z,1/2-y 1/2-z,1/2-y,1/2+x " "-z,y,1/2-x 1/2+z,-y,-x z,1/2+y,x 1/2+x,1/2+y,z 1/2-x,-y,1/2+z -x,y,-z " "x,1/2-y,1/2-z 1/2+z,1/2+x,y z,1/2-x,1/2-y 1/2-z,-x,1/2+y -z,x,-y " "1/2+y,1/2+z,x -y,z,-x y,1/2-z,1/2-x 1/2-y,-z,1/2+x 1/4+y,3/4+x,3/4-z " "3/4-y,3/4-x,1/4-z 3/4+y,1/4-x,3/4+z 1/4-y,1/4+x,1/4+z 1/4+x,3/4+z,3/4-y " "1/4-x,1/4+z,1/4+y 3/4-x,3/4-z,1/4-y 3/4+x,1/4-z,3/4+y 1/4+z,3/4+y,3/4-x " "3/4+z,1/4-y,3/4+x 1/4-z,1/4+y,1/4+x 3/4-z,3/4-y,1/4-x 1/4-x,1/4-y,3/4-z " "1/4+x,3/4+y,1/4-z 3/4+x,3/4-y,3/4+z 3/4-x,1/4+y,1/4+z 1/4-z,1/4-x,3/4-y " "3/4-z,1/4+x,1/4+y 1/4+z,3/4+x,1/4-y 3/4+z,3/4-x,3/4+y 1/4-y,1/4-z,3/4-x " "3/4+y,3/4-z,3/4+x 3/4-y,1/4+z,1/4+x 1/4+y,3/4+z,1/4-x 1/2-y,-x,z y,x,1/2+z " "-y,1/2+x,-z 1/2+y,1/2-x,1/2-z 1/2-x,-z,y 1/2+x,1/2-z,1/2-y x,z,1/2+y " "-x,1/2+z,-y 1/2-z,-y,x -z,1/2+y,-x 1/2+z,1/2-y,1/2-x z,y,1/2+x", "x,y,z 1/4-x,3/4-y,1/2+z 3/4-x,1/2+y,1/4-z 1/2+x,1/4-y,3/4-z z,x,y " "1/2+z,1/4-x,3/4-y 1/4-z,3/4-x,1/2+y 3/4-z,1/2+x,1/4-y y,z,x " "3/4-y,1/2+z,1/4-x 1/2+y,1/4-z,3/4-x 1/4-y,3/4-z,1/2+x 3/4+y,1/4+x,-z " "1/2-y,1/2-x,1/2-z 1/4+y,-x,3/4+z -y,3/4+x,1/4+z 3/4+x,1/4+z,-y " "-x,3/4+z,1/4+y 1/2-x,1/2-z,1/2-y 1/4+x,-z,3/4+y 3/4+z,1/4+y,-x " "1/4+z,-y,3/4+x -z,3/4+y,1/4+x 1/2-z,1/2-y,1/2-x -x,-y,-z 3/4+x,1/4+y,1/2-z " "1/4+x,1/2-y,3/4+z 1/2-x,3/4+y,1/4+z -z,-x,-y 1/2-z,3/4+x,1/4+y " "3/4+z,1/4+x,1/2-y 1/4+z,1/2-x,3/4+y -y,-z,-x 1/4+y,1/2-z,3/4+x " "1/2-y,3/4+z,1/4+x 3/4+y,1/4+z,1/2-x 1/4-y,3/4-x,z 1/2+y,1/2+x,1/2+z " "3/4-y,x,1/4-z y,1/4-x,3/4-z 1/4-x,3/4-z,y x,1/4-z,3/4-y 1/2+x,1/2+z,1/2+y " "3/4-x,z,1/4-y 1/4-z,3/4-y,x 3/4-z,y,1/4-x z,1/4-y,3/4-x 1/2+z,1/2+y,1/2+x " "x,1/2+y,1/2+z 1/4-x,1/4-y,z 3/4-x,y,3/4-z 1/2+x,3/4-y,1/4-z z,1/2+x,1/2+y " "1/2+z,3/4-x,1/4-y 1/4-z,1/4-x,y 3/4-z,x,3/4-y y,1/2+z,1/2+x 3/4-y,z,3/4-x " "1/2+y,3/4-z,1/4-x 1/4-y,1/4-z,x 3/4+y,3/4+x,1/2-z 1/2-y,-x,-z " "1/4+y,1/2-x,1/4+z -y,1/4+x,3/4+z 3/4+x,3/4+z,1/2-y -x,1/4+z,3/4+y " "1/2-x,-z,-y 1/4+x,1/2-z,1/4+y 3/4+z,3/4+y,1/2-x 1/4+z,1/2-y,1/4+x " "-z,1/4+y,3/4+x 1/2-z,-y,-x -x,1/2-y,1/2-z 3/4+x,3/4+y,-z 1/4+x,-y,1/4+z " "1/2-x,1/4+y,3/4+z -z,1/2-x,1/2-y 1/2-z,1/4+x,3/4+y 3/4+z,3/4+x,-y " "1/4+z,-x,1/4+y -y,1/2-z,1/2-x 1/4+y,-z,1/4+x 1/2-y,1/4+z,3/4+x " "3/4+y,3/4+z,-x 1/4-y,1/4-x,1/2+z 1/2+y,x,z 3/4-y,1/2+x,3/4-z y,3/4-x,1/4-z " "1/4-x,1/4-z,1/2+y x,3/4-z,1/4-y 1/2+x,z,y 3/4-x,1/2+z,3/4-y " "1/4-z,1/4-y,1/2+x 3/4-z,1/2+y,3/4-x z,3/4-y,1/4-x 1/2+z,y,x 1/2+x,y,1/2+z " "3/4-x,3/4-y,z 1/4-x,1/2+y,3/4-z x,1/4-y,1/4-z 1/2+z,x,1/2+y z,1/4-x,1/4-y " "3/4-z,3/4-x,y 1/4-z,1/2+x,3/4-y 1/2+y,z,1/2+x 1/4-y,1/2+z,3/4-x " "y,1/4-z,1/4-x 3/4-y,3/4-z,x 1/4+y,1/4+x,1/2-z -y,1/2-x,-z 3/4+y,-x,1/4+z " "1/2-y,3/4+x,3/4+z 1/4+x,1/4+z,1/2-y 1/2-x,3/4+z,3/4+y -x,1/2-z,-y " "3/4+x,-z,1/4+y 1/4+z,1/4+y,1/2-x 3/4+z,-y,1/4+x 1/2-z,3/4+y,3/4+x " "-z,1/2-y,-x 1/2-x,-y,1/2-z 1/4+x,1/4+y,-z 3/4+x,1/2-y,1/4+z -x,3/4+y,3/4+z " "1/2-z,-x,1/2-y -z,3/4+x,3/4+y 1/4+z,1/4+x,-y 3/4+z,1/2-x,1/4+y " "1/2-y,-z,1/2-x 3/4+y,1/2-z,1/4+x -y,3/4+z,3/4+x 1/4+y,1/4+z,-x " "3/4-y,3/4-x,1/2+z y,1/2+x,z 1/4-y,x,3/4-z 1/2+y,1/4-x,1/4-z " "3/4-x,3/4-z,1/2+y 1/2+x,1/4-z,1/4-y x,1/2+z,y 1/4-x,z,3/4-y " "3/4-z,3/4-y,1/2+x 1/4-z,y,3/4-x 1/2+z,1/4-y,1/4-x z,1/2+y,x 1/2+x,1/2+y,z " "3/4-x,1/4-y,1/2+z 1/4-x,y,1/4-z x,3/4-y,3/4-z 1/2+z,1/2+x,y z,3/4-x,3/4-y " "3/4-z,1/4-x,1/2+y 1/4-z,x,1/4-y 1/2+y,1/2+z,x 1/4-y,z,1/4-x y,3/4-z,3/4-x " "3/4-y,1/4-z,1/2+x 1/4+y,3/4+x,-z -y,-x,1/2-z 3/4+y,1/2-x,3/4+z " "1/2-y,1/4+x,1/4+z 1/4+x,3/4+z,-y 1/2-x,1/4+z,1/4+y -x,-z,1/2-y " "3/4+x,1/2-z,3/4+y 1/4+z,3/4+y,-x 3/4+z,1/2-y,3/4+x 1/2-z,1/4+y,1/4+x " "-z,-y,1/2-x 1/2-x,1/2-y,-z 1/4+x,3/4+y,1/2-z 3/4+x,-y,3/4+z -x,1/4+y,1/4+z " "1/2-z,1/2-x,-y -z,1/4+x,1/4+y 1/4+z,3/4+x,1/2-y 3/4+z,-x,3/4+y " "1/2-y,1/2-z,-x 3/4+y,-z,3/4+x -y,1/4+z,1/4+x 1/4+y,3/4+z,1/2-x " "3/4-y,1/4-x,z y,x,1/2+z 1/4-y,1/2+x,1/4-z 1/2+y,3/4-x,3/4-z 3/4-x,1/4-z,y " "1/2+x,3/4-z,3/4-y x,z,1/2+y 1/4-x,1/2+z,1/4-y 3/4-z,1/4-y,x " "1/4-z,1/2+y,1/4-x 1/2+z,3/4-y,3/4-x z,y,1/2+x", "x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z y,x,-z -x,y,-z -y,-x,-z z,x,y -x,z,y " "-z,-x,y x,-z,y z,-x,-y x,z,-y -z,x,-y -x,-z,-y y,z,x y,-z,-x z,y,-x -y,z,-x " "-z,-y,-x -y,-z,x z,-y,x -z,y,x -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z " "-y,-x,z x,-y,z y,x,z -z,-x,-y x,-z,-y z,x,-y -x,z,-y -z,x,y -x,-z,y z,-x,y " "x,z,y -y,-z,-x -y,z,x -z,-y,x y,-z,x z,y,x y,z,-x -z,y,-x z,-y,-x " "x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 " "x+1/2,-y+1/2,-z+1/2 y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,-z+1/2 " "-y+1/2,-x+1/2,-z+1/2 z+1/2,x+1/2,y+1/2 -x+1/2,z+1/2,y+1/2 " "-z+1/2,-x+1/2,y+1/2 x+1/2,-z+1/2,y+1/2 z+1/2,-x+1/2,-y+1/2 " "x+1/2,z+1/2,-y+1/2 -z+1/2,x+1/2,-y+1/2 -x+1/2,-z+1/2,-y+1/2 " "y+1/2,z+1/2,x+1/2 y+1/2,-z+1/2,-x+1/2 z+1/2,y+1/2,-x+1/2 " "-y+1/2,z+1/2,-x+1/2 -z+1/2,-y+1/2,-x+1/2 -y+1/2,-z+1/2,x+1/2 " "z+1/2,-y+1/2,x+1/2 -z+1/2,y+1/2,x+1/2 -x+1/2,-y+1/2,-z+1/2 " "y+1/2,-x+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -y+1/2,x+1/2,-z+1/2 " "-x+1/2,y+1/2,z+1/2 -y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,z+1/2 y+1/2,x+1/2,z+1/2 " "-z+1/2,-x+1/2,-y+1/2 x+1/2,-z+1/2,-y+1/2 z+1/2,x+1/2,-y+1/2 " "-x+1/2,z+1/2,-y+1/2 -z+1/2,x+1/2,y+1/2 -x+1/2,-z+1/2,y+1/2 " "z+1/2,-x+1/2,y+1/2 x+1/2,z+1/2,y+1/2 -y+1/2,-z+1/2,-x+1/2 " "-y+1/2,z+1/2,x+1/2 -z+1/2,-y+1/2,x+1/2 y+1/2,-z+1/2,x+1/2 z+1/2,y+1/2,x+1/2 " "y+1/2,z+1/2,-x+1/2 -z+1/2,y+1/2,-x+1/2 z+1/2,-y+1/2,-x+1/2", "x,y,z 1/2+x,1/2+y,1/2+z z,1/2-x,1/2+y 1/2+z,-x,y -y,1/2+z,1/2-x 1/2-y,z,-x " "x,1/2-y,1/2+z 1/2+x,-y,z -z,1/2+x,1/2-y 1/2-z,x,-y y,1/2-z,1/2+x 1/2+y,-z,x " "-x,1/2+y,1/2-z 1/2-x,y,-z 3/4+x,1/4-z,3/4-y 1/4+x,3/4-z,1/4-y " "3/4-z,1/4+y,3/4+x 1/4-z,3/4+y,1/4+x 3/4+y,1/4-x,3/4-z 1/4+y,3/4-x,1/4-z " "3/4-x,1/4+z,3/4+y 1/4-x,3/4+z,1/4+y 3/4+z,1/4-y,3/4-x 1/4+z,3/4-y,1/4-x " "3/4-y,1/4+x,3/4+z 1/4-y,3/4+x,1/4+z 1/4+x,1/4+z,1/4+y 3/4+x,3/4+z,3/4+y " "1/4-z,1/4-y,1/4-x 3/4-z,3/4-y,3/4-x 1/4+y,1/4+x,1/4+z 3/4+y,3/4+x,3/4+z " "1/4-x,1/4-z,1/4-y 3/4-x,3/4-z,3/4-y 1/4+z,1/4+y,1/4+x 3/4+z,3/4+y,3/4+x " "1/4-y,1/4-x,1/4-z 3/4-y,3/4-x,3/4-z 1/2+z,x,1/2-y z,1/2+x,-y 1/2-y,-z,1/2+x " "-y,1/2-z,x 1/2+x,y,1/2-z x,1/2+y,-z 1/2-z,-x,1/2+y -z,1/2-x,y 1/2+y,z,1/2-x " "y,1/2+z,-x 1/2-x,-y,1/2+z -x,1/2-y,z 1/2-z,1/2+x,y -z,x,1/2+y " "1/2+y,1/2-z,-x y,-z,1/2-x 1/2-x,1/2+y,z -x,y,1/2+z 1/2+z,1/2-x,-y " "z,-x,1/2-y 1/2-y,1/2+z,x -y,z,1/2+x 1/2+x,1/2-y,-z x,-y,1/2-z " "3/4-x,3/4+z,1/4-y 1/4-x,1/4+z,3/4-y 3/4+z,3/4-y,1/4+x 1/4+z,1/4-y,3/4+x " "3/4-y,3/4+x,1/4-z 1/4-y,1/4+x,3/4-z 3/4+x,3/4-z,1/4+y 1/4+x,1/4-z,3/4+y " "3/4-z,3/4+y,1/4-x 1/4-z,1/4+y,3/4-x 3/4+y,3/4-x,1/4+z 1/4+y,1/4-x,3/4+z " "1/4-x,3/4-z,3/4+y 3/4-x,1/4-z,1/4+y 1/4+z,3/4+y,3/4-x 3/4+z,1/4+y,1/4-x " "1/4-y,3/4-x,3/4+z 3/4-y,1/4-x,1/4+z 1/4+x,3/4+z,3/4-y 3/4+x,1/4+z,1/4-y " "1/4-z,3/4-y,3/4+x 3/4-z,1/4-y,1/4+x 1/4+y,3/4+x,3/4-z 3/4+y,1/4+x,1/4-z " "-z,-x,-y 1/2-z,1/2-x,1/2-y y,z,x 1/2+y,1/2+z,1/2+x -x,-y,-z " "1/2-x,1/2-y,1/2-z z,x,y 1/2+z,1/2+x,1/2+y -y,-z,-x 1/2-y,1/2-z,1/2-x" }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_SPACE_GROUP_DATA avogadrolibs-1.100.0/avogadro/core/spacegroups.cpp000066400000000000000000000317171474375334400221450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "spacegroups.h" #include "crystaltools.h" #include "molecule.h" #include "spacegroupdata.h" #include "unitcell.h" #include "utilities.h" #include // for std::count() #include #include // for isdigit() #include namespace Avogadro::Core { unsigned short SpaceGroups::hallNumber(const std::string& spaceGroup) { unsigned short hall = 0; // can't find anything const unsigned short hall_count = 531; // 530 but first one is empty // some files use " instead of = for the space group symbol std::string sg = spaceGroup; std::replace(sg.begin(), sg.end(), '"', '='); // space_group_hall_symbol for (unsigned short i = 0; i < hall_count; ++i) { if (sg == space_group_hall_symbol[i]) { return i; // found a match } } // space_group_international for (unsigned short i = 0; i < hall_count; ++i) { if (sg == space_group_international[i]) { return i; // found a match } } // space_group_international_short for (unsigned short i = 0; i < hall_count; ++i) { if (sg == space_group_international_short[i]) { return i; // found a match } } // space_group_international_full for (unsigned short i = 0; i < hall_count; ++i) { if (sg == space_group_international_full[i]) { return i; // found a match } } return hall; // can't find anything } CrystalSystem SpaceGroups::crystalSystem(unsigned short hallNumber) { if (hallNumber == 1 || hallNumber == 2) return Triclinic; if (hallNumber >= 3 && hallNumber <= 107) return Monoclinic; if (hallNumber >= 108 && hallNumber <= 348) return Orthorhombic; if (hallNumber >= 349 && hallNumber <= 429) return Tetragonal; if (hallNumber >= 430 && hallNumber <= 461) { // 14 of these are rhombohedral and the rest are trigonal switch (hallNumber) { case 433: case 434: case 436: case 437: case 444: case 445: case 450: case 451: case 452: case 453: case 458: case 459: case 460: case 461: return Rhombohedral; default: return Trigonal; } } if (hallNumber >= 462 && hallNumber <= 488) return Hexagonal; if (hallNumber >= 489 && hallNumber <= 530) return Cubic; // hallNumber must be 0 or > 531 return None; // for (unsigned short i = 0; i < hallNumberCount; ++i) } unsigned short SpaceGroups::internationalNumber(unsigned short hallNumber) { if (hallNumber <= 530) return space_group_international_number[hallNumber]; else return space_group_international_number[0]; } const char* SpaceGroups::schoenflies(unsigned short hallNumber) { if (hallNumber <= 530) return space_group_schoenflies[hallNumber]; else return space_group_schoenflies[0]; } const char* SpaceGroups::hallSymbol(unsigned short hallNumber) { if (hallNumber <= 530) return space_group_hall_symbol[hallNumber]; else return space_group_hall_symbol[0]; } const char* SpaceGroups::international(unsigned short hallNumber) { if (hallNumber <= 530) return space_group_international[hallNumber]; else return space_group_international[0]; } const char* SpaceGroups::internationalFull(unsigned short hallNumber) { if (hallNumber <= 530) return space_group_international_full[hallNumber]; else return space_group_international_full[0]; } const char* SpaceGroups::internationalShort(unsigned short hallNumber) { if (hallNumber <= 530) return space_group_international_short[hallNumber]; else return space_group_international_short[0]; } const char* SpaceGroups::setting(unsigned short hallNumber) { if (hallNumber <= 530) return space_group_setting[hallNumber]; else return space_group_setting[0]; } unsigned short SpaceGroups::transformsCount(unsigned short hallNumber) { if (hallNumber <= 530) { std::string s = transformsString(hallNumber); return std::count(s.begin(), s.end(), ' ') + 1; } else { return 0; } } Real readTransformCoordinate(const std::string& coordinate, const Vector3& v) { // The coordinate should be at least 1 character assert(coordinate.size() != 0); Real ret = 0.0; Index i = 0; while (i < coordinate.size()) { bool isNeg = false; if (coordinate[i] == '-') { isNeg = true; ++i; assert(i < coordinate.size()); } // We assume we are adding, so no need for a boolean here else if (coordinate[i] == '+') { ++i; assert(i < coordinate.size()); } // Check to see if we have a digit if (isdigit(coordinate[i])) { // We SHOULD have a fraction. Also, we SHOULD only deal with single // digit numbers. Add assertions to make sure this is the case. assert(i + 2 < coordinate.size()); assert(coordinate[i + 1] == '/'); assert(isdigit(coordinate[i + 2])); // Assert that this is a single digit number if (coordinate.size() > i + 3) assert(!isdigit(coordinate[i + 3])); // Ancient methods used by our forefathers to cast a char to an int Real numerator = coordinate[i] - '0'; Real denominator = coordinate[i + 2] - '0'; Real fraction = numerator / denominator; fraction *= (isNeg) ? -1.0 : 1.0; ret += fraction; i += 3; } else if (coordinate[i] == 'x') { ret += (isNeg) ? -1.0 * v[0] : v[0]; ++i; } else if (coordinate[i] == 'y') { ret += (isNeg) ? -1.0 * v[1] : v[1]; ++i; } else if (coordinate[i] == 'z') { ret += (isNeg) ? -1.0 * v[2] : v[2]; ++i; } else { std::cerr << "In " << __FUNCTION__ << ", error reading string: '" << coordinate << "'\n"; return 0; } } return ret; } Vector3 getSingleTransform(const std::string& transform, const Vector3& v) { Vector3 ret; std::vector coordinates = split(transform, ','); // This should be 3 in size. Something very bad happened if it is not. assert(coordinates.size() == 3); ret[0] = readTransformCoordinate(coordinates[0], v); ret[1] = readTransformCoordinate(coordinates[1], v); ret[2] = readTransformCoordinate(coordinates[2], v); return ret; } Array SpaceGroups::getTransforms(unsigned short hallNumber, const Vector3& v) { if (hallNumber == 0 || hallNumber > 530) return Array(); Array ret; std::string transformsStr = transformsString(hallNumber); // These transforms are separated by spaces std::vector transforms = split(transformsStr, ' '); for (auto& transform : transforms) ret.push_back(getSingleTransform(transform, v)); return ret; } void SpaceGroups::fillUnitCell(Molecule& mol, unsigned short hallNumber, double cartTol, bool wrapToCell, bool allCopies) { if (!mol.unitCell()) return; UnitCell* uc = mol.unitCell(); Array atomicNumbers = mol.atomicNumbers(); Array positions = mol.atomPositions3d(); Index numAtoms = mol.atomCount(); // We are going to loop through the original atoms. That is why // we have numAtoms cached instead of using atomCount(). for (Index i = 0; i < numAtoms; ++i) { unsigned char atomicNum = atomicNumbers[i]; Vector3 pos = uc->toFractional(positions[i]); Array newAtoms = getTransforms(hallNumber, pos); // We skip 0 because it is the original atom. for (Index j = 1; j < newAtoms.size(); ++j) { // The new atoms are in fractional coordinates. Convert to cartesian. Vector3 newCandidate = uc->toCartesian(newAtoms[j]); // if we are wrapping to the cell, we need to wrap the new atom if (wrapToCell) newCandidate = uc->wrapCartesian(newCandidate); // If there is already an atom in this location within a // certain tolerance, do not add the atom. bool atomAlreadyPresent = false; for (Index k = 0; k < mol.atomCount(); k++) { // If it does not have the same atomic number, skip over it. if (mol.atomicNumber(k) != atomicNum) continue; Real distance = uc->distance(mol.atomPosition3d(k), newCandidate); if (distance <= cartTol) atomAlreadyPresent = true; } // If there is already an atom present here, just continue if (atomAlreadyPresent) continue; // If we got this far, add the atom! Atom newAtom = mol.addAtom(atomicNum); newAtom.setPosition3d(newCandidate); } } // Now we generate any copies on the unit boundary // We need to loop through all the atoms again // if a fractional coordinate contains 0.0, we need to generate a copy // of the atom at 1.0 if (!allCopies) return; atomicNumbers = mol.atomicNumbers(); positions = mol.atomPositions3d(); numAtoms = mol.atomCount(); for (Index i = 0; i < numAtoms; ++i) { unsigned char atomicNum = atomicNumbers[i]; Vector3 pos = uc->toFractional(positions[i]); Array newAtoms; // We need to check each coordinate to see if it is 0.0 or 1.0 // .. if so, we need to generate the symmetric copy for (Index j = 0; j < 3; ++j) { Vector3 newPos = pos; if (fabs(pos[j]) < 0.001) { newPos[j] = 1.0; newAtoms.push_back(newPos); } if (fabs(pos[j] - 1.0) < 0.001) { newPos[j] = 0.0; newAtoms.push_back(newPos); } for (Index k = j + 1; k < 3; ++k) { if (fabs(pos[k]) < 0.001) { newPos[k] = 1.0; newAtoms.push_back(newPos); newPos[k] = 0.0; // revert for the other coords } if (fabs(pos[k] - 1.0) < 0.001) { newPos[k] = 0.0; newAtoms.push_back(newPos); newPos[k] = 1.0; // revert } } } // finally, check if all coordinates are 0.0 if (fabs(pos[0]) < 0.001 && fabs(pos[1]) < 0.001 && fabs(pos[2]) < 0.001) newAtoms.push_back(Vector3(1.0, 1.0, 1.0)); // or 1.0 .. unlikely, but possible if (fabs(pos[0] - 1.0) < 0.001 && fabs(pos[1] - 1.0) < 0.001 && fabs(pos[2] - 1.0) < 0.001) newAtoms.push_back(Vector3(0.0, 0.0, 0.0)); for (const auto& atomMat : newAtoms) { // The new atoms are in fractional coordinates. Convert to cartesian. Vector3 newCandidate = uc->toCartesian(atomMat); // If there is already an atom in this location within a // certain tolerance, do not add the atom. bool atomAlreadyPresent = false; for (Index k = 0; k < mol.atomCount(); k++) { // If it does not have the same atomic number, skip over it. if (mol.atomicNumber(k) != atomicNum) continue; Real distance = (mol.atomPosition3d(k) - newCandidate).norm(); if (distance <= cartTol) { atomAlreadyPresent = true; break; } } // If there is already an atom present here, just continue if (atomAlreadyPresent) continue; // If we got this far, add the atom! Atom newAtom = mol.addAtom(atomicNum); newAtom.setPosition3d(newCandidate); } } } void SpaceGroups::reduceToAsymmetricUnit(Molecule& mol, unsigned short hallNumber, double cartTol) { if (!mol.unitCell()) return; UnitCell* uc = mol.unitCell(); // The number of atoms may change as we remove atoms, so don't cache // the number of atoms, atomic positions, or atomic numbers // There's no point in looking at the last atom for (Index i = 0; i + 1 < mol.atomCount(); ++i) { unsigned char atomicNum = mol.atomicNumber(i); Vector3 pos = uc->toFractional(mol.atomPosition3d(i)); Array transformAtoms = getTransforms(hallNumber, pos); // Loop through the rest of the atoms in this crystal and see if any match // up with a transform for (Index j = i + 1; j < mol.atomCount(); ++j) { // If the atomic number does not match, skip over it if (mol.atomicNumber(j) != atomicNum) continue; Vector3 trialPos = mol.atomPosition3d(j); // Loop through the transform atoms // We skip 0 because it is the original atom. for (Index k = 1; k < transformAtoms.size(); ++k) { // The transform atoms are in fractional coordinates. Convert to // cartesian. Vector3 transformPos = uc->toCartesian(transformAtoms[k]); Real distance = uc->distance(trialPos, transformPos); // Is the atom within the cartesian tolerance distance? if (distance <= cartTol) { // Remove this atom and adjust the index mol.removeAtom(j); --j; break; } } } } } const char* SpaceGroups::transformsString(unsigned short hallNumber) { if (hallNumber <= 530) return space_group_transforms[hallNumber]; else return ""; } } // namespace Avogadro::Core avogadrolibs-1.100.0/avogadro/core/spacegroups.h000066400000000000000000000113131474375334400216000ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_SPACE_GROUPS_H #define AVOGADRO_CORE_SPACE_GROUPS_H #include "avogadrocoreexport.h" #include "array.h" #include "vector.h" #include namespace Avogadro::Core { class Molecule; /** * Enumeration of the crystal system. */ enum CrystalSystem { None, Triclinic, Monoclinic, Orthorhombic, Tetragonal, Trigonal, Rhombohedral, Hexagonal, Cubic }; /** * @class SpaceGroups spacegroups.h * @brief The Spacegroups class stores basic data about crystal spacegroups. * * The spacegroups class gives a simple interface to basic data about crystal * spacegroups. The data is generated from information in spglib. */ class AVOGADROCORE_EXPORT SpaceGroups { public: SpaceGroups() = default; ~SpaceGroups() = default; /** * @return The hall number of the matching space group string or 0 if not * found */ static unsigned short hallNumber(const std::string& spaceGroup); /** * @return an enum representing the crystal system for a given hall number. * If an invalid hall number is given, None will be returned. */ static CrystalSystem crystalSystem(unsigned short hallNumber); /** * @return the international number for a given hall number. * If an invalid hall number is given, 0 will be returned. */ static unsigned short internationalNumber(unsigned short hallNumber); /** * @return the Schoenflies symbol for a given hall number. * If an invalid hall number is given, an empty string will be returned. */ static const char* schoenflies(unsigned short hallNumber); /** * @return the Hall symbol for a given hall number. '=' is used instead of * '"'. If an invalid hall number is given, an empty string will be returned. */ static const char* hallSymbol(unsigned short hallNumber); /** * @return the international symbol for a given hall number. * If an invalid hall number is given, an empty string will be returned. */ static const char* international(unsigned short hallNumber); /** * @return the full international symbol for a given hall number. * If an invalid hall number is given, an empty string will be returned. */ static const char* internationalFull(unsigned short hallNumber); /** * @return the short international symbol for a given hall number. * If an invalid hall number is given, an empty string will be returned. */ static const char* internationalShort(unsigned short hallNumber); /** * @return the setting for a given hall number. * If an invalid hall number is given, an empty string will be returned. * An empty string may also be returned if there are no settings for this * space group. */ static const char* setting(unsigned short hallNumber); /** * @return the number of transforms for a given hall number. * If an invalid hall number is given, 0 will be returned. */ static unsigned short transformsCount(unsigned short hallNumber); /** * @return an array of transforms for a given hall number and a vector v. * The vector should be in fractional coordinates. * If an invalid hall number is given, an empty array will be returned. */ static Array getTransforms(unsigned short hallNumber, const Vector3& v); /** * Fill a crystal with atoms by using transforms from a hall number. * Nothing will be done if the molecule does not have a unit cell. * The cartesian tolerance is used to check if an atom is already * present at that location. If there is another atom within that * distance, the new atom will not be placed there. */ static void fillUnitCell(Molecule& mol, unsigned short hallNumber, double cartTol = 1e-5, bool wrapToCell = true, bool allCopies = false); /** * Reduce a cell to its asymmetric unit. * Nothing will be done if the molecule does not have a unit cell. * The cartesian tolerance is used to check if an atom is present * at a location within the tolerance distance. * If an atom is present, the atom gets removed. */ static void reduceToAsymmetricUnit(Molecule& mol, unsigned short hallNumber, double cartTol = 1e-5); private: /** * Get the transforms string stored in the database. */ static const char* transformsString(unsigned short hallNumber); }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_SPACE_GROUPS_H avogadrolibs-1.100.0/avogadro/core/symbolatomtyper.cpp000066400000000000000000000011451474375334400230540ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "symbolatomtyper.h" #include "elements.h" namespace Avogadro::Core { SymbolAtomTyper::SymbolAtomTyper(const Molecule* mol) : AtomTyper(mol) { } std::string SymbolAtomTyper::type(const Atom& atom) { return std::string(Elements::symbol(atom.atomicNumber())); } } // namespace Avogadro::Core avogadrolibs-1.100.0/avogadro/core/symbolatomtyper.h000066400000000000000000000017741474375334400225310ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_SYMBOLATOMTYPER_H #define AVOGADRO_CORE_SYMBOLATOMTYPER_H #include "avogadrocoreexport.h" #include #include namespace Avogadro::Core { /** * @class SymbolAtomTyper symbolatomtyper.h * @brief The SymbolAtomTyper class is a simple implementation of AtomTyper that * assigns element symbols to each atom. */ class AVOGADROCORE_EXPORT SymbolAtomTyper : public AtomTyper { public: explicit SymbolAtomTyper(const Molecule* mol = nullptr); ~SymbolAtomTyper() override = default; protected: std::string type(const Atom& atom) override; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_SYMBOLATOMTYPER_H avogadrolibs-1.100.0/avogadro/core/types.h000066400000000000000000000036311474375334400204150ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_TYPES_H #define AVOGADRO_CORE_TYPES_H namespace Avogadro { /** Symbolic constants representing various built-in C++ types. */ enum Type { UnknownType = -1, CharType, UCharType, ShortType, UShortType, IntType, UIntType, FloatType, DoubleType }; template class TypeTraits { public: enum { EnumValue = -1 }; static const char* name() { return "Unsupported type."; } }; template <> class TypeTraits { public: enum { EnumValue = CharType }; static const char* name() { return "char"; } }; template <> class TypeTraits { public: enum { EnumValue = UCharType }; static const char* name() { return "unsigned char"; } }; template <> class TypeTraits { public: enum { EnumValue = ShortType }; static const char* name() { return "short"; } }; template <> class TypeTraits { public: enum { EnumValue = UShortType }; static const char* name() { return "unsigned short"; } }; template <> class TypeTraits { public: enum { EnumValue = IntType }; static const char* name() { return "int"; } }; template <> class TypeTraits { public: enum { EnumValue = UIntType }; static const char* name() { return "unsigned int"; } }; template <> class TypeTraits { public: enum { EnumValue = FloatType }; static const char* name() { return "float"; } }; template <> class TypeTraits { public: enum { EnumValue = DoubleType }; static const char* name() { return "double"; } }; } // end Avogadro namespace #endif // AVOGADRO_CORE_H avogadrolibs-1.100.0/avogadro/core/unitcell.cpp000066400000000000000000000035661474375334400214320ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "unitcell.h" #include namespace Avogadro::Core { void UnitCell::setCellParameters(Real a_, Real b_, Real c_, Real al, Real be, Real ga) { // Convert parameters to matrix. See "Appendix 2: Coordinate Systems and // Transformations" of the PDB guide (ref v2.2, 4/23/13, // http://www.bmsc.washington.edu/CrystaLinks/man/pdb/guide2.2_frame.html) const Real cosAlpha = std::cos(al); const Real cosBeta = std::cos(be); const Real cosGamma = std::cos(ga); const Real sinGamma = std::sin(ga); m_cellMatrix(0, 0) = a_; m_cellMatrix(1, 0) = static_cast(0.0); m_cellMatrix(2, 0) = static_cast(0.0); m_cellMatrix(0, 1) = b_ * cosGamma; m_cellMatrix(1, 1) = b_ * sinGamma; m_cellMatrix(2, 1) = static_cast(0.0); m_cellMatrix(0, 2) = c_ * cosBeta; m_cellMatrix(1, 2) = c_ * (cosAlpha - cosBeta * cosGamma) / sinGamma; m_cellMatrix(2, 2) = (c_ / sinGamma) * std::sqrt( static_cast(1.0) - ((cosAlpha * cosAlpha) + (cosBeta * cosBeta) + (cosGamma * cosGamma)) + (static_cast(2.0) * cosAlpha * cosBeta * cosGamma)); computeFractionalMatrix(); } Real UnitCell::signedAngleRadians(const Vector3& v1, const Vector3& v2, const Vector3& axis) { const Vector3 crossProduct(v1.cross(v2)); const Real crossProductNorm(crossProduct.norm()); const Real dotProduct(v1.dot(v2)); const Real signDet(crossProduct.dot(axis)); const Real angle(std::atan2(crossProductNorm, dotProduct)); return signDet > 0.f ? angle : -angle; } } // end namespace Avogadro avogadrolibs-1.100.0/avogadro/core/unitcell.h000066400000000000000000000232131474375334400210660ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_UNITCELL_H #define AVOGADRO_CORE_UNITCELL_H #include "avogadrocoreexport.h" #include "avogadrocore.h" #include "matrix.h" #include "vector.h" namespace Avogadro::Core { /** * @class UnitCell unitcell.h * @brief The UnitCell class provides a representation of a crystal's unit cell. */ class AVOGADROCORE_EXPORT UnitCell { public: UnitCell(); UnitCell(Real a, Real b, Real c, Real alpha, Real beta, Real gamma); UnitCell(const Vector3& a, const Vector3& b, const Vector3& c); explicit UnitCell(const Matrix3& cellMatrix); UnitCell(const UnitCell& other); ~UnitCell() = default; UnitCell& operator=(UnitCell other); friend void swap(UnitCell& lhs, UnitCell& rhs); /** The lattice vector in the unit cell. Units: Angstrom @{ */ Vector3 aVector() const { return m_cellMatrix.col(0); } Vector3 bVector() const { return m_cellMatrix.col(1); } Vector3 cVector() const { return m_cellMatrix.col(2); } void setAVector(const Vector3& v); void setBVector(const Vector3& v); void setCVector(const Vector3& v); /** @} */ /** The length of the lattice vector in the unit cell. Units: Angstrom @{ */ Real a() const { return m_cellMatrix.col(0).norm(); } Real b() const { return m_cellMatrix.col(1).norm(); } Real c() const { return m_cellMatrix.col(2).norm(); } /** @} */ /** The angle (radians) between the 'b' and 'c' lattice vectors. */ Real alpha() const; /** The angle (radians) between the 'c' and 'a' lattice vectors. */ Real beta() const; /** The angle (radians) between the 'a' and 'b' lattice vectors. */ Real gamma() const; /** * Set the cell parameters defining the unit cell. @a a, @a b, and @a c are * in Angstrom, @a alpha, @a beta, and @a gamma are in radians. */ void setCellParameters(Real a, Real b, Real c, Real alpha, Real beta, Real gamma); /** * The volume of the unit cell in cubic Angstroms. */ Real volume() const; /** * @return A vector pointing to the origin of the translational image that is * @a i images in the a() direction, @a j images in the b() direction, and * @a k images in the c() direction. */ Vector3 imageOffset(int i, int j, int k) const; /** * The cell matrix with lattice vectors as columns. Units: Angstrom @{ */ const Matrix3& cellMatrix() const; void setCellMatrix(const Matrix3& m); /** @} */ /** * The matrix used to convert cartesian to fractional coordinates. */ const Matrix3& fractionalMatrix() const; void setFractionalMatrix(const Matrix3& m); /** @} */ /** * Convert the cartesian coordinate @a cart to fractional (lattice) units. @{ */ Vector3 toFractional(const Vector3& cart) const; void toFractional(const Vector3& cart, Vector3& frac) const; /** * Convert the fractional (lattice) coordinate @a frac to cartesian units. @{ */ Vector3 toCartesian(const Vector3& frac) const; void toCartesian(const Vector3& frac, Vector3& cart) const; /** @} */ /** * Adjust the fractional (lattice) coordinate @a frac so that it lies within * the unit cell. @{ */ Vector3 wrapFractional(const Vector3& frac) const; void wrapFractional(const Vector3& frac, Vector3& wrapped) const; /** @} */ /** * Adjust the cartesian coordinate @a cart so that it lies within the unit * cell. @{ */ Vector3 wrapCartesian(const Vector3& cart) const; void wrapCartesian(const Vector3& cart, Vector3& wrapped) const; /** @} */ /** * Find the minimum fractional image of a fractional vector @a v. * A minimum image has all fractional coordinates between -0.5 and 0.5. */ static Vector3 minimumImageFractional(const Vector3& v); /** * Find the minimum image of a Cartesian vector @a v. * A minimum image has all fractional coordinates between -0.5 and 0.5 */ Vector3 minimumImage(const Vector3& v) const; /** * Find the shortest distance between vectors @a v1 and @a v2. */ Real distance(const Vector3& v1, const Vector3& v2) const; private: static Real signedAngleRadians(const Vector3& v1, const Vector3& v2, const Vector3& axis); void computeCellMatrix() { m_cellMatrix = m_fractionalMatrix.inverse(); } void computeFractionalMatrix() { m_fractionalMatrix = m_cellMatrix.inverse(); } Matrix3 m_cellMatrix; Matrix3 m_fractionalMatrix; }; inline UnitCell::UnitCell() : m_cellMatrix(Matrix3::Identity()), m_fractionalMatrix(Matrix3::Identity()) { } inline UnitCell::UnitCell(Real a_, Real b_, Real c_, Real alpha_, Real beta_, Real gamma_) { setCellParameters(a_, b_, c_, alpha_, beta_, gamma_); } inline UnitCell::UnitCell(const Vector3& a_, const Vector3& b_, const Vector3& c_) { m_cellMatrix.col(0) = a_; m_cellMatrix.col(1) = b_; m_cellMatrix.col(2) = c_; computeFractionalMatrix(); } inline UnitCell::UnitCell(const Matrix3& cellMatrix_) : m_cellMatrix(cellMatrix_) { computeFractionalMatrix(); } inline UnitCell::UnitCell(const UnitCell& other) : m_cellMatrix(other.m_cellMatrix), m_fractionalMatrix(other.m_fractionalMatrix) { } inline UnitCell& UnitCell::operator=(UnitCell other) { using std::swap; swap(*this, other); return *this; } inline void swap(UnitCell& lhs, UnitCell& rhs) { using std::swap; swap(lhs.m_cellMatrix, rhs.m_cellMatrix); swap(lhs.m_fractionalMatrix, rhs.m_fractionalMatrix); } inline void UnitCell::setAVector(const Vector3& v) { m_cellMatrix.col(0) = v; computeFractionalMatrix(); } inline void UnitCell::setBVector(const Vector3& v) { m_cellMatrix.col(1) = v; computeFractionalMatrix(); } inline void UnitCell::setCVector(const Vector3& v) { m_cellMatrix.col(2) = v; computeFractionalMatrix(); } inline Real UnitCell::alpha() const { return signedAngleRadians(bVector(), cVector(), aVector()); } inline Real UnitCell::beta() const { return signedAngleRadians(cVector(), aVector(), bVector()); } inline Real UnitCell::gamma() const { return signedAngleRadians(aVector(), bVector(), cVector()); } inline Real UnitCell::volume() const { return std::fabs(aVector().cross(bVector()).dot(cVector())); } inline Vector3 UnitCell::imageOffset(int i, int j, int k) const { return (static_cast(i) * m_cellMatrix.col(0) + static_cast(j) * m_cellMatrix.col(1) + static_cast(k) * m_cellMatrix.col(2)); } inline const Matrix3& UnitCell::cellMatrix() const { return m_cellMatrix; } inline void UnitCell::setCellMatrix(const Matrix3& m) { m_cellMatrix = m; computeFractionalMatrix(); } inline const Matrix3& UnitCell::fractionalMatrix() const { return m_fractionalMatrix; } inline void UnitCell::setFractionalMatrix(const Matrix3& m) { m_fractionalMatrix = m; computeCellMatrix(); } inline Vector3 UnitCell::toFractional(const Vector3& cart) const { return m_fractionalMatrix * cart; } inline void UnitCell::toFractional(const Vector3& cart, Vector3& frac) const { frac = m_fractionalMatrix * cart; } inline Vector3 UnitCell::toCartesian(const Vector3& f) const { return m_cellMatrix * f; } inline void UnitCell::toCartesian(const Vector3& frac, Vector3& cart) const { cart = m_cellMatrix * frac; } inline Vector3 UnitCell::wrapFractional(const Vector3& f) const { const Real one = static_cast(1.0); Vector3 result(std::fmod(f[0], one), std::fmod(f[1], one), std::fmod(f[2], one)); if (result[0] < static_cast(0.0)) ++result[0]; if (result[1] < static_cast(0.0)) ++result[1]; if (result[2] < static_cast(0.0)) ++result[2]; // set anything at 1.0 to 0.0 if (result[0] >= static_cast(0.999999)) result[0] = static_cast(0.0); if (result[1] == static_cast(0.999999)) result[1] = static_cast(0.0); if (result[2] == static_cast(0.999999)) result[2] = static_cast(0.0); return result; } inline void UnitCell::wrapFractional(const Vector3& f, Vector3& wrapped) const { const Real one = static_cast(1.0); wrapped = Vector3(std::fmod(f[0], one), std::fmod(f[1], one), std::fmod(f[2], one)); if (wrapped[0] < static_cast(0.0)) ++wrapped[0]; if (wrapped[1] < static_cast(0.0)) ++wrapped[1]; if (wrapped[2] < static_cast(0.0)) ++wrapped[2]; // set anything at 1.0 to 0.0 if (wrapped[0] >= static_cast(0.999999)) wrapped[0] = static_cast(0.0); if (wrapped[1] >= static_cast(0.999999)) wrapped[1] = static_cast(0.0); if (wrapped[2] >= static_cast(0.999999)) wrapped[2] = static_cast(0.0); } inline Vector3 UnitCell::wrapCartesian(const Vector3& cart) const { Vector3 result = toFractional(cart); wrapFractional(result, result); toCartesian(result, result); return result; } inline void UnitCell::wrapCartesian(const Vector3& cart, Vector3& wrapped) const { toFractional(cart, wrapped); wrapFractional(wrapped, wrapped); toCartesian(wrapped, wrapped); } inline Vector3 UnitCell::minimumImageFractional(const Vector3& v) { Real x = v[0] - rint(v[0]); Real y = v[1] - rint(v[1]); Real z = v[2] - rint(v[2]); return Vector3(x, y, z); } inline Vector3 UnitCell::minimumImage(const Vector3& v) const { return toCartesian(minimumImageFractional(toFractional(v))); } inline Real UnitCell::distance(const Vector3& v1, const Vector3& v2) const { return minimumImage(v1 - v2).norm(); } } // namespace Avogadro::Core #endif // AVOGADRO_CORE_UNITCELL_H avogadrolibs-1.100.0/avogadro/core/utilities.h000066400000000000000000000066161474375334400212720ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_UTILITIES_H #define AVOGADRO_CORE_UTILITIES_H #include #include #include #include namespace Avogadro::Core { /** * @brief Split the supplied @p string by the @p delimiter. * @param string The string to be split up. * @param delimiter The delimiter to split the string by. * @param skipEmpty If true any empty items will be skipped. * @return A vector containing the items. */ inline std::vector split(const std::string& string, char delimiter, bool skipEmpty = true) { std::vector elements; std::stringstream stringStream(string); std::string item; while (std::getline(stringStream, item, delimiter)) { if (skipEmpty && item.empty()) continue; elements.push_back(item); } return elements; } /** * @brief Search the input string for the search string. * @param input String to be examined. * @param search String that will be searched for. * @return True if the string contains search, false otherwise. */ inline bool contains(const std::string& input, const std::string& search, bool caseSensitive = true) { if (caseSensitive) { return input.find(search) != std::string::npos; } else { std::string inputLower = input; std::string searchLower = search; std::transform(inputLower.begin(), inputLower.end(), inputLower.begin(), ::tolower); std::transform(searchLower.begin(), searchLower.end(), searchLower.begin(), ::tolower); return inputLower.find(searchLower) != std::string::npos; } } /** * @brief Efficient method to confirm input starts with the search string. * @param input String to be examined. * @param search String that will be searched for. * @return True if the string starts with search, false otherwise. */ inline bool startsWith(const std::string& input, const std::string& search) { return input.size() >= search.size() && input.compare(0, search.size(), search) == 0; } /** * @brief Trim a string of whitespace from the left and right. */ inline std::string trimmed(const std::string& input) { size_t start = input.find_first_not_of(" \n\r\t"); size_t end = input.find_last_not_of(" \n\r\t"); if (start == std::string::npos && end == std::string::npos) return ""; return input.substr(start, end - start + 1); } /** * @brief Cast the inputString to the specified type. * @param inputString String to cast to the specified type. */ template T lexicalCast(const std::string& inputString) { T value; std::istringstream(inputString) >> value; return value; } /** * @brief Cast the inputString to the specified type. * @param inputString String to cast to the specified type. * @param ok Set to true on success, and false if the string could not be * converted to the specified type. */ template T lexicalCast(const std::string& inputString, bool& ok) { T value; std::istringstream stream(inputString); stream >> value; ok = !stream.fail(); return value; } } // namespace Avogadro::Core #endif // AVOGADRO_CORE_UTILITIES_H avogadrolibs-1.100.0/avogadro/core/variant-inline.h000066400000000000000000000246141474375334400221750ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_VARIANT_INLINE_H #define AVOGADRO_CORE_VARIANT_INLINE_H #include "variant.h" #include #include namespace Avogadro::Core { inline Variant::Variant() : m_type(Null) {} inline Variant::Variant(double x, double y, double z) : m_type(Vector) { Vector3* v = new Vector3(x, y, z); m_value.vector = v; } template inline Variant::Variant(T v) : m_type(Null) { setValue(v); } template <> inline Variant::Variant(const char* v) : m_type(String) { m_value.string = new std::string(v); } template <> inline Variant::Variant(const MatrixXf& v) : m_type(Matrix) { MatrixX* m = new MatrixX(v.rows(), v.cols()); *m = v.cast(); m_value.matrix = m; } template <> inline Variant::Variant(const Vector3& v) : m_type(Vector) { Vector3* _v = new Vector3(v); m_value.vector = _v; } template <> inline Variant::Variant(const Vector3f& v) : m_type(Vector) { Vector3* _v = new Vector3(v.x(), v.y(), v.z()); m_value.vector = _v; } template <> inline Variant::Variant(const std::vector& v) : m_type(Matrix) { MatrixX* m = new MatrixX(v.size(), 1); for (size_t i = 0; i < v.size(); ++i) m->coeffRef(i, 0) = v[i]; m_value.matrix = m; } inline Variant::Variant(const Variant& variant) : m_type(variant.type()) { if (m_type == String) m_value.string = new std::string(variant.toString()); else if (m_type == Matrix) m_value.matrix = new MatrixX(*variant.m_value.matrix); else if (m_type == Vector) m_value.vector = new Vector3(*variant.m_value.vector); else if (m_type != Null) m_value = variant.m_value; } inline Variant::~Variant() { clear(); } inline Variant::Type Variant::type() const { return m_type; } inline bool Variant::isNull() const { return m_type == Null; } inline bool Variant::setValue(double x, double y, double z) { clear(); m_type = Vector; m_value.vector = new Vector3(x, y, z); return true; } inline bool Variant::setValue(const std::vector& v) { clear(); m_type = Matrix; m_value.matrix = new MatrixX(v.size(), 1); for (size_t i = 0; i < v.size(); ++i) m_value.matrix->coeffRef(i, 0) = v[i]; return true; } template inline bool Variant::setValue(T v) { AVO_UNUSED(v); #ifndef NDEBUG #if defined(_MSC_VER) std::cerr << " Variant::setValue() not implemented for " << __FUNCSIG__ << std::endl; #else std::cerr << " Variant::setValue() not implemented for " << __PRETTY_FUNCTION__ << std::endl; #endif #endif clear(); return false; } template <> inline bool Variant::setValue(bool v) { clear(); m_type = Bool; m_value._bool = v; return true; } template <> inline bool Variant::setValue(char v) { clear(); m_type = Int; m_value._int = v; return true; } template <> inline bool Variant::setValue(short v) { clear(); m_type = Int; m_value._int = v; return true; } template <> inline bool Variant::setValue(int v) { clear(); m_type = Int; m_value._int = v; return true; } template <> inline bool Variant::setValue(long v) { clear(); m_type = Long; m_value._long = v; return true; } template <> inline bool Variant::setValue(float v) { clear(); m_type = Float; m_value._float = v; return true; } template <> inline bool Variant::setValue(double v) { clear(); m_type = Double; m_value._double = v; return true; } template <> inline bool Variant::setValue(std::string string) { clear(); m_type = String; m_value.string = new std::string(string); return true; } template <> inline bool Variant::setValue(const char* string) { return setValue(std::string(string)); } template <> inline bool Variant::setValue(void* pointer) { clear(); m_type = Pointer; m_value.pointer = pointer; return true; } template <> inline bool Variant::setValue(MatrixX matrix) { clear(); m_type = Matrix; m_value.matrix = new MatrixX(matrix); return true; } template <> inline bool Variant::setValue(Vector3 vector) { clear(); m_type = Vector; m_value.vector = new Vector3(vector); return true; } template <> inline bool Variant::setValue(Vector3f vector) { clear(); m_type = Vector; m_value.vector = new Vector3(vector.x(), vector.y(), vector.z()); return true; } template inline T Variant::value() const { return 0; } template <> inline bool Variant::value() const { if (m_type == Bool) return m_value._bool; else if (m_type == Int) return m_value._int != 0; return false; } template <> inline char Variant::value() const { if (m_type == Int) return static_cast(m_value._int); else if (m_type == String && !m_value.string->empty()) return m_value.string->at(0); return '\0'; } template <> inline short Variant::value() const { if (m_type == Int) return static_cast(m_value._int); else if (m_type == String) return lexical_cast(*m_value.string); return 0; } template <> inline int Variant::value() const { if (m_type == Int) return m_value._int; else if (m_type == Bool) return static_cast(m_value._bool); else if (m_type == Float) return static_cast(m_value._float); else if (m_type == Double) return static_cast(m_value._double); else if (m_type == String) return lexical_cast(*m_value.string); return 0; } template <> inline long Variant::value() const { if (m_type == Long) return m_value._long; else if (m_type == Int) return static_cast(m_value._int); else if (m_type == String) return lexical_cast(*m_value.string); return 0; } template <> inline float Variant::value() const { if (m_type == Float) return m_value._float; else if (m_type == Double) return static_cast(m_value._double); else if (m_type == Int) return static_cast(m_value._int); else if (m_type == String) return lexical_cast(*m_value.string); return 0; } template <> inline double Variant::value() const { if (m_type == Double) return m_value._double; else if (m_type == Float) return static_cast(m_value._float); else if (m_type == Int) return static_cast(m_value._int); else if (m_type == String) return lexical_cast(*m_value.string); return 0; } template <> inline void* Variant::value() const { if (m_type == Pointer) return m_value.pointer; return 0; } template <> inline std::string Variant::value() const { if (m_type == String) return *m_value.string; std::stringstream string; if (m_type == Int) string << m_value._int; else if (m_type == Float) string << m_value._float; else if (m_type == Double) string << m_value._double; return string.str(); } template <> inline MatrixX Variant::value() const { if (m_type == Matrix) return *m_value.matrix; return MatrixX(); } template <> inline const MatrixX& Variant::value() const { if (m_type == Matrix) return *m_value.matrix; // Use a static null matrix for the reference. static MatrixX nullMatrix(0, 0); return nullMatrix; } template <> inline Vector3 Variant::value() const { if (m_type == Vector) return *m_value.vector; return Vector3(); } template <> inline const Vector3& Variant::value() const { if (m_type == Vector) return *m_value.vector; static Vector3 nullVector(0, 0, 0); return nullVector; } template <> inline std::vector Variant::value() const { if (m_type == Matrix && m_value.matrix->cols() == 1) { std::vector list(m_value.matrix->rows()); for (int i = 0; i < m_value.matrix->rows(); ++i) list[i] = m_value.matrix->coeff(i, 0); return list; } return std::vector(); } inline void Variant::clear() { if (m_type == String) { delete m_value.string; m_value.string = 0; } else if (m_type == Matrix) { delete m_value.matrix; m_value.matrix = 0; } else if (m_type == Vector) { delete m_value.vector; m_value.vector = 0; } m_type = Null; } inline bool Variant::toBool() const { return value(); } inline char Variant::toChar() const { return value(); } inline unsigned char Variant::toUChar() const { return value(); } inline short Variant::toShort() const { return value(); } inline unsigned short Variant::toUShort() const { return value(); } inline int Variant::toInt() const { return value(); } inline unsigned int Variant::toUInt() const { return value(); } inline long Variant::toLong() const { return value(); } inline unsigned long Variant::toULong() const { return value(); } inline float Variant::toFloat() const { return value(); } inline double Variant::toDouble() const { return value(); } inline Real Variant::toReal() const { return value(); } inline void* Variant::toPointer() const { return value(); } inline std::string Variant::toString() const { return value(); } inline MatrixX Variant::toMatrix() const { return value(); } inline const MatrixX& Variant::toMatrixRef() const { return value(); } inline Vector3 Variant::toVector3() const { return value(); } inline std::vector Variant::toList() const { return value>(); } // --- Operators ----------------------------------------------------------- // inline Variant& Variant::operator=(const Variant& variant) { if (this != &variant) { // Clear previous data, clear(); // Set the new type. m_type = variant.m_type; // Set the new value, if (m_type == String) m_value.string = new std::string(variant.toString()); else if (m_type == Matrix) m_value.matrix = new MatrixX(*variant.m_value.matrix); else if (m_type == Vector) m_value.vector = new Vector3(*variant.m_value.vector); else if (m_type != Null) m_value = variant.m_value; } return *this; } // --- Internal Methods ---------------------------------------------------- // template inline T Variant::lexical_cast(const std::string& str) { T value; std::istringstream(str) >> value; return value; } } // namespace Avogadro::Core #endif // AVOGADRO_CORE_VARIANT_INLINE_H avogadrolibs-1.100.0/avogadro/core/variant.h000066400000000000000000000103751474375334400207200ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_VARIANT_H #define AVOGADRO_CORE_VARIANT_H #include "avogadrocoreexport.h" #include "avogadrocore.h" #include "matrix.h" #include "vector.h" #include namespace Avogadro::Core { /** * @class Variant variant.h * @brief The Variant class represents a union of data values. * * Variant objects allow for the storage of and conversion between a variety of * different data types. */ class AVOGADROCORE_EXPORT Variant { public: // enumerations enum Type { Null, Bool, Int, Long, Float, Double, Pointer, String, Vector, Matrix }; /** Creates a null variant. */ inline Variant(); /** Creates a variant to store @p value. */ template Variant(T value); /** Creates a new copy of @p variant. */ inline Variant(const Variant& variant); /** Creates a variant to store a 3D vector */ Variant(double x, double y, double z); /** Destroys the variant object. */ inline ~Variant(); /** @return variant's type. */ inline Type type() const; /** @return \c true if the variant is null. */ inline bool isNull() const; /** Sets the value of the variant to @p value. */ template bool setValue(T value); /** Sets the value of the variant to a 3D vector */ bool setValue(double x, double y, double z); /** Sets the value of the variant to a vector */ bool setValue(const std::vector& v); /** @return the value of the variant in the type given by \c T. */ template T value() const; /** Clears the variant's data and sets the variant to null. */ inline void clear(); /** @return the value of the variant as a \c bool. */ inline bool toBool() const; /** @return the value of the variant as a \c char. */ inline char toChar() const; /** @return the value of the variant as an \c unsigned \c char. */ inline unsigned char toUChar() const; /** @return the value of the variant as a \c short. */ inline short toShort() const; /** @return the value of the variant as an \c unsigned \c short. */ inline unsigned short toUShort() const; /** @return the value of the variant as an \c int. */ inline int toInt() const; /** @return the value of the variant as an \c unsigned \c int. */ inline unsigned int toUInt() const; /** @return the value of the variant as a \c long. */ inline long toLong() const; /** @return the value of the variant as an \c unsigned \c long. */ inline unsigned long toULong() const; /** @return the value of the variant as a \c float. */ inline float toFloat() const; /** @return the value of the variant as a \c double. */ inline double toDouble() const; /** @return the value of the variant as a \c Real. */ inline Real toReal() const; /** @return the value of the variant as a pointer. */ inline void* toPointer() const; /** @return the value of the variant as a string. */ inline std::string toString() const; /** @return the value of the variant as a MatrixX. */ inline MatrixX toMatrix() const; /** @return the value of the variant as a Vector3 */ inline Vector3 toVector3() const; /** @return the value as a vector */ inline std::vector toList() const; /** * @return a reference to the value of the variant as a MatrixX. * This method will not perform any casting -- if type() is not exactly * MatrixX, the function will fail and return a reference to an empty MatrixX. */ inline const MatrixX& toMatrixRef() const; // operators inline Variant& operator=(const Variant& variant); private: template static T lexical_cast(const std::string& string); private: Type m_type; union { bool _bool; char _char; int _int; long _long; float _float; double _double; void* pointer; std::string* string; Vector3* vector; MatrixX* matrix; } m_value; }; } // namespace Avogadro::Core #include "variant-inline.h" #endif // AVOGADRO_CORE_VARIANT_H avogadrolibs-1.100.0/avogadro/core/variantmap.cpp000066400000000000000000000030351474375334400217440ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "variantmap.h" namespace Avogadro::Core { size_t VariantMap::size() const { return m_map.size(); } bool VariantMap::isEmpty() const { return m_map.empty(); } std::vector VariantMap::names() const { std::vector result; result.reserve(size()); for (auto it = constBegin(), itEnd = constEnd(); it != itEnd; ++it) result.push_back((*it).first); return result; } void VariantMap::setValue(const std::string& name, const Variant& v) { m_map[name] = v; } Variant VariantMap::value(const std::string& name) const { auto iter = m_map.find(name); if (iter == m_map.end()) return Variant(); return iter->second; } bool VariantMap::hasValue(const std::string& name) const { return m_map.find(name) != m_map.end(); } VariantMap::iterator VariantMap::begin() { return m_map.begin(); } VariantMap::const_iterator VariantMap::begin() const { return m_map.begin(); } VariantMap::const_iterator VariantMap::constBegin() const { return m_map.begin(); } VariantMap::iterator VariantMap::end() { return m_map.end(); } VariantMap::const_iterator VariantMap::end() const { return m_map.end(); } VariantMap::const_iterator VariantMap::constEnd() const { return m_map.end(); } } // end Avogadro namespace avogadrolibs-1.100.0/avogadro/core/variantmap.h000066400000000000000000000043461474375334400214170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_VARIANTMAP_H #define AVOGADRO_CORE_VARIANTMAP_H #include "avogadrocoreexport.h" #include "variant.h" #include #include #include namespace Avogadro::Core { /** * @class VariantMap variantmap.h * @brief The VariantMap class provides a map between string keys and variant * values. */ class AVOGADROCORE_EXPORT VariantMap { public: using iterator = std::map::iterator; using const_iterator = std::map::const_iterator; /** Creates a new variant map object. */ VariantMap() = default; /** Destroys the variant map. */ ~VariantMap() = default; /** Returns the size of the variant map. */ size_t size() const; /** Returns \c true if the variant map is empty (i.e. size() == \c 0). */ bool isEmpty() const; /** Returns the names of the entries in the map. */ std::vector names() const; /** Sets the value of @p name to @p v. */ void setValue(const std::string& name, const Variant& v); /** * Returns the value for @p name. If @p name is not found a null variant is * returned. */ Variant value(const std::string& name) const; /** * Returns true if the key exists in the map. */ bool hasValue(const std::string& name) const; /** * Clears the map. */ void clear() { m_map.clear(); } /** Return an iterator pointing to the beginning of the map. */ iterator begin(); /** \overload */ const_iterator begin() const; /** Return a const_iterator pointing to the beginning of the map. */ const_iterator constBegin() const; /** Return an iterator pointing to the end of the map. */ iterator end(); /** \overload */ const_iterator end() const; /** Return a const_iterator pointing to the end of the map. */ const_iterator constEnd() const; private: std::map m_map; }; } // namespace Avogadro::Core #endif // AVOGADRO_CORE_VARIANTMAP_H avogadrolibs-1.100.0/avogadro/core/vector.h000066400000000000000000000023001474375334400205430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_CORE_VECTOR_H #define AVOGADRO_CORE_VECTOR_H #include "avogadrocore.h" #include namespace Avogadro { /** Typedefs for vector types. */ using Vector2 = Eigen::Matrix; using Vector3 = Eigen::Matrix; using Vector4 = Eigen::Matrix; using Vector2f = Eigen::Matrix; using Vector3f = Eigen::Matrix; using Vector4f = Eigen::Matrix; using Vector2i = Eigen::Matrix; using Vector3i = Eigen::Matrix; using Vector4i = Eigen::Matrix; using Vector2ub = Eigen::Matrix; using Vector3ub = Eigen::Matrix; using Vector4ub = Eigen::Matrix; /** A simple struct composed of Vector3f to represent a frustrum. */ struct Frustrum { Vector3f points[8]; Vector3f planes[4]; }; } // end Avogadro namespace #endif // AVOGADRO_CORE_VECTOR_H avogadrolibs-1.100.0/avogadro/core/version.cpp000066400000000000000000000006471474375334400212750ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "version.h" namespace Avogadro { const char* version() { return AvogadroLibs_VERSION; } } // end Avogadro namespace avogadrolibs-1.100.0/avogadro/io/000077500000000000000000000000001474375334400165545ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/io/CMakeLists.txt000066400000000000000000000024011474375334400213110ustar00rootroot00000000000000add_library(IO) avogadro_headers(IO cjsonformat.h cmlformat.h cmsgpackformat.h dcdformat.h fileformat.h fileformatmanager.h gromacsformat.h mdlformat.h lammpsformat.h pdbformat.h sdfformat.h trrformat.h turbomoleformat.h vaspformat.h xyzformat.h ) target_sources(IO PRIVATE cjsonformat.cpp cmlformat.cpp cmsgpackformat.cpp dcdformat.cpp fileformat.cpp fileformatmanager.cpp gromacsformat.cpp lammpsformat.cpp mdlformat.cpp pdbformat.cpp sdfformat.cpp trrformat.cpp turbomoleformat.cpp vaspformat.cpp xyzformat.cpp ) if(USE_HDF5) find_package(HDF5 REQUIRED COMPONENTS C) target_compile_definitions(IO PRIVATE AVO_USE_HDF5 H5_USE_110_API) avogadro_headers(IO hdf5dataformat.h) target_sources(IO PRIVATE hdf5dataformat.cpp) target_link_libraries(IO PRIVATE hdf5::hdf5) endif() if(USE_MMTF) find_package(MMTF REQUIRED) target_compile_definitions(IO PRIVATE AVO_USE_MMTF) avogadro_headers(IO mmtfformat.h) target_sources(IO PRIVATE mmtfformat.cpp) target_link_libraries(IO PRIVATE mmtf::mmtf) endif() avogadro_add_library(IO) target_link_libraries(IO PUBLIC Avogadro::Core PRIVATE struct pugixml::pugixml nlohmann_json::nlohmann_json) if(WIN32) target_link_libraries(IO PRIVATE ws2_32) endif() avogadrolibs-1.100.0/avogadro/io/cjsonformat.cpp000066400000000000000000001300331474375334400216050ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "cjsonformat.h" #include #include #include #include #include #include #include #include #include #include #include #include #include using json = nlohmann::json; namespace Avogadro::Io { using std::string; using std::vector; using Core::Array; using Core::Atom; using Core::BasisSet; using Core::Bond; using Core::CrystalTools; using Core::Cube; using Core::GaussianSet; using Core::LayerData; using Core::LayerManager; using Core::Molecule; using Core::Residue; using Core::Variant; bool setJsonKey(json& j, Molecule& m, const std::string& key) { if (j.count(key) && j.find(key)->is_string()) { m.setData(key, j.value(key, "undefined")); return true; } return false; } bool isNumericArray(json& j) { if (j.is_array() && j.size() > 0) { for (const auto& v : j) { if (!v.is_number()) { return false; } } return true; } return false; } bool isBooleanArray(json& j) { if (j.is_array() && j.size() > 0) { for (const auto& v : j) { if (!v.is_boolean()) { return false; } } return true; } return false; } json eigenColToJson(const MatrixX& matrix, int column) { json j; j = json::array(); for (Index i = 0; i < matrix.rows(); ++i) { j.push_back(matrix(i, column)); } return j; } bool CjsonFormat::read(std::istream& file, Molecule& molecule) { return deserialize(file, molecule, true); } bool CjsonFormat::deserialize(std::istream& file, Molecule& molecule, bool isJson) { json jsonRoot; if (isJson) jsonRoot = json::parse(file, nullptr, false); else // msgpack jsonRoot = json::from_msgpack(file); if (jsonRoot.is_discarded()) { appendError("Error reading CJSON file."); return false; } if (!jsonRoot.is_object()) { appendError("Error: Input is not a JSON object."); return false; } auto jsonValue = jsonRoot.find("chemicalJson"); if (jsonValue == jsonRoot.end()) jsonValue = jsonRoot.find("chemical json"); if (jsonValue == jsonRoot.end()) { appendError("Error: no \"chemical json\" key found."); return false; } if (*jsonValue != 0 && *jsonValue != 1) { appendError("Warning: chemical json version is not 0 or 1."); } // Read some basic key-value pairs (all strings). setJsonKey(jsonRoot, molecule, "name"); setJsonKey(jsonRoot, molecule, "inchi"); setJsonKey(jsonRoot, molecule, "formula"); // Read in the atoms. json atoms = jsonRoot["atoms"]; if (!atoms.is_object()) { appendError("The 'atoms' key does not contain an object."); return false; } json atomicNumbers = atoms["elements"]["number"]; // This represents our minimal spec for a molecule - atoms that have an // atomic number. if (isNumericArray(atomicNumbers) && atomicNumbers.size() > 0) { for (auto& atomicNumber : atomicNumbers) molecule.addAtom(atomicNumber); } else { // we're done, actually - this is an empty file return true; } Index atomCount = molecule.atomCount(); // 3d coordinates if available for our atoms json atomicCoords = atoms["coords"]["3d"]; if (isNumericArray(atomicCoords) && atomicCoords.size() == 3 * atomCount) { for (Index i = 0; i < atomCount; ++i) { auto a = molecule.atom(i); a.setPosition3d(Vector3(atomicCoords[3 * i], atomicCoords[3 * i + 1], atomicCoords[3 * i + 2])); } } // Array of vector3 for forces if available json forces = atoms["forces"]; if (isNumericArray(forces) && forces.size() == 3 * atomCount) { for (Index i = 0; i < atomCount; ++i) { auto a = molecule.atom(i); a.setForceVector( Vector3(forces[3 * i], forces[3 * i + 1], forces[3 * i + 2])); } } // labels json labels = atoms["labels"]; if (labels.is_array() && labels.size() == atomCount) { for (size_t i = 0; i < atomCount; ++i) { molecule.setAtomLabel(i, labels[i]); } } // formal charges json formalCharges = atoms["formalCharges"]; if (formalCharges.is_array() && formalCharges.size() == atomCount) { for (size_t i = 0; i < atomCount; ++i) { molecule.atom(i).setFormalCharge(formalCharges[i]); } } // Check for coordinate sets, and read them in if found, e.g. trajectories. json coordSets = atoms["coords"]["3dSets"]; if (coordSets.is_array() && coordSets.size()) { for (unsigned int i = 0; i < coordSets.size(); ++i) { Array setArray; json set = coordSets[i]; if (isNumericArray(set)) { for (unsigned int j = 0; j < set.size() / 3; ++j) { setArray.push_back( Vector3(set[3 * j], set[3 * j + 1], set[3 * j + 2])); } molecule.setCoordinate3d(setArray, i); } } // Make sure the first step is active once we are done loading the sets. molecule.setCoordinate3d(0); } // Read in colors if they are present. json colors = atoms["colors"]; if (colors.is_array() && colors.size() == 3 * atomCount) { for (Index i = 0; i < atomCount; ++i) { Vector3ub color(colors[3 * i], colors[3 * i + 1], colors[3 * i + 2]); molecule.setColor(i, color); } } // Selection is optional, but if present should be loaded. json selection = atoms["selected"]; if (isBooleanArray(selection) && selection.size() == atomCount) for (Index i = 0; i < atomCount; ++i) molecule.setAtomSelected(i, selection[i]); else if (isNumericArray(selection) && selection.size() == atomCount) for (Index i = 0; i < atomCount; ++i) molecule.setAtomSelected(i, selection[i] != 0); if (atoms.find("layer") != atoms.end()) { json layerJson = atoms["layer"]; if (isNumericArray(layerJson)) { auto& layer = LayerManager::getMoleculeInfo(&molecule)->layer; for (Index i = 0; i < atomCount && i < layerJson.size(); ++i) { while (layerJson[i] > layer.maxLayer()) { layer.addLayer(); } layer.addAtom(layerJson[i], i); } } } // Bonds are optional, but if present should be loaded. json bonds = jsonRoot["bonds"]; if (bonds.is_object() && isNumericArray(bonds["connections"]["index"])) { json connections = bonds["connections"]["index"]; for (unsigned int i = 0; i < connections.size() / 2; ++i) { molecule.addBond(static_cast(connections[2 * i]), static_cast(connections[2 * i + 1]), 1); } json order = bonds["order"]; if (isNumericArray(order)) { for (unsigned int i = 0; i < molecule.bondCount() && i < order.size(); ++i) { molecule.bond(i).setOrder(static_cast(order[i])); } } // are there bond labels? json bondLabels = bonds["labels"]; if (bondLabels.is_array()) { for (unsigned int i = 0; i < molecule.bondCount() && i < bondLabels.size(); ++i) { molecule.setBondLabel(i, bondLabels[i]); } } } // residues are optional, but should be loaded json residues = jsonRoot["residues"]; if (residues.is_array()) { for (auto residue : residues) { if (!residue.is_object()) continue; // malformed auto name = residue["name"].get(); auto id = static_cast(residue["id"]); auto chainId = residue["chainId"].get(); Residue newResidue(name, id, chainId); json hetero = residue["hetero"]; if (hetero == true) newResidue.setHeterogen(true); int secStruct = residue.value("secStruct", -1); if (secStruct != -1) newResidue.setSecondaryStructure( static_cast(secStruct)); json atomsResidue = residue["atoms"]; if (atomsResidue.is_object()) { for (auto& item : atomsResidue.items()) { if (item.value() < molecule.atomCount()) { const Atom& atom = molecule.atom(item.value()); newResidue.addResidueAtom(item.key(), atom); } } } json color = residue["color"]; if (color.is_array() && color.size() == 3) { Vector3ub col = Vector3ub(color[0], color[1], color[2]); newResidue.setColor(col); } molecule.addResidue(newResidue); } } json unitCell = jsonRoot["unitCell"]; if (!unitCell.is_object()) unitCell = jsonRoot["unit cell"]; if (unitCell.is_object()) { Core::UnitCell* unitCellObject = nullptr; // read in cell vectors in preference to a, b, c parameters json cellVectors = unitCell["cellVectors"]; if (cellVectors.is_array() && cellVectors.size() == 9 && isNumericArray(cellVectors)) { Vector3 aVector(cellVectors[0], cellVectors[1], cellVectors[2]); Vector3 bVector(cellVectors[3], cellVectors[4], cellVectors[5]); Vector3 cVector(cellVectors[6], cellVectors[7], cellVectors[8]); unitCellObject = new Core::UnitCell(aVector, bVector, cVector); } else if (unitCell["a"].is_number() && unitCell["b"].is_number() && unitCell["c"].is_number() && unitCell["alpha"].is_number() && unitCell["beta"].is_number() && unitCell["gamma"].is_number()) { Real a = static_cast(unitCell["a"]); Real b = static_cast(unitCell["b"]); Real c = static_cast(unitCell["c"]); Real alpha = static_cast(unitCell["alpha"]) * DEG_TO_RAD; Real beta = static_cast(unitCell["beta"]) * DEG_TO_RAD; Real gamma = static_cast(unitCell["gamma"]) * DEG_TO_RAD; unitCellObject = new Core::UnitCell(a, b, c, alpha, beta, gamma); } if (unitCellObject != nullptr) molecule.setUnitCell(unitCellObject); // check for Hall number if present if (unitCell["hallNumber"].is_number()) { auto hallNumber = static_cast(unitCell["hallNumber"]); if (hallNumber > 0 && hallNumber < 531) molecule.setHallNumber(hallNumber); } else if (unitCell["spaceGroup"].is_string()) { auto hallNumber = Core::SpaceGroups::hallNumber(unitCell["spaceGroup"]); if (hallNumber != 0) molecule.setHallNumber(hallNumber); } } json fractional = atoms["coords"]["3dFractional"]; if (!fractional.is_array()) fractional = atoms["coords"]["3d fractional"]; if (fractional.is_array() && fractional.size() == 3 * atomCount && isNumericArray(fractional) && molecule.unitCell()) { Array fcoords; fcoords.reserve(atomCount); for (Index i = 0; i < atomCount; ++i) { fcoords.push_back(Vector3(static_cast(fractional[i * 3 + 0]), static_cast(fractional[i * 3 + 1]), static_cast(fractional[i * 3 + 2]))); } CrystalTools::setFractionalCoordinates(molecule, fcoords); } // Basis set is optional, if present read it in. json basisSet = jsonRoot["basisSet"]; if (basisSet.is_object()) { auto* basis = new GaussianSet; basis->setMolecule(&molecule); // Gather the relevant pieces together so that they can be read in. json shellTypes = basisSet["shellTypes"]; json primitivesPerShell = basisSet["primitivesPerShell"]; json shellToAtomMap = basisSet["shellToAtomMap"]; json exponents = basisSet["exponents"]; json coefficients = basisSet["coefficients"]; int nGTO = 0; for (unsigned int i = 0; i < shellTypes.size(); ++i) { GaussianSet::orbital type; switch (static_cast(shellTypes[i])) { case 0: type = GaussianSet::S; break; case 1: type = GaussianSet::P; break; case 2: type = GaussianSet::D; break; case -2: type = GaussianSet::D5; break; default: // If we encounter GTOs we do not understand, the basis is likely // invalid type = GaussianSet::UU; } if (type != GaussianSet::UU) { int b = basis->addBasis(static_cast(shellToAtomMap[i]), type); for (int j = 0; j < static_cast(primitivesPerShell[i]); ++j) { basis->addGto(b, coefficients[nGTO], exponents[nGTO]); ++nGTO; } } } json orbitals = jsonRoot["orbitals"]; if (orbitals.is_object() && basis->isValid()) { basis->setElectronCount(orbitals["electronCount"]); json occupations = orbitals["occupations"]; if (isNumericArray(occupations)) { std::vector occs; for (auto& occupation : occupations) occs.push_back(static_cast(occupation)); basis->setMolecularOrbitalOccupancy(occupations); } json energies = orbitals["energies"]; if (isNumericArray(energies)) { std::vector energyArray; for (auto& energie : energies) energyArray.push_back(static_cast(energie)); basis->setMolecularOrbitalEnergy(energyArray); } json numbers = orbitals["numbers"]; if (isNumericArray(numbers)) { std::vector numArray; for (auto& number : numbers) numArray.push_back(static_cast(number)); basis->setMolecularOrbitalNumber(numArray); } json symmetryLabels = orbitals["symmetries"]; if (symmetryLabels.is_array()) { std::vector symArray; for (auto& sym : symmetryLabels) symArray.push_back(sym); basis->setSymmetryLabels(symArray); } json moCoefficients = orbitals["moCoefficients"]; json moCoefficientsA = orbitals["alphaCoefficients"]; json moCoefficientsB = orbitals["betaCoefficients"]; bool openShell = false; if (isNumericArray(moCoefficients)) { std::vector coeffs; for (auto& moCoefficient : moCoefficients) coeffs.push_back(static_cast(moCoefficient)); basis->setMolecularOrbitals(coeffs); } else if (isNumericArray(moCoefficientsA) && isNumericArray(moCoefficientsB)) { std::vector coeffsA; for (auto& i : moCoefficientsA) coeffsA.push_back(static_cast(i)); std::vector coeffsB; for (auto& i : moCoefficientsB) coeffsB.push_back(static_cast(i)); basis->setMolecularOrbitals(coeffsA, BasisSet::Alpha); basis->setMolecularOrbitals(coeffsB, BasisSet::Beta); openShell = true; } else { std::cout << "No orbital cofficients found!" << std::endl; } // Check for orbital coefficient sets, these are paired with coordinates // when they exist, but have constant basis set, atom types, etc. if (orbitals["sets"].is_array() && orbitals["sets"].size()) { json orbSets = orbitals["sets"]; for (unsigned int idx = 0; idx < orbSets.size(); ++idx) { moCoefficients = orbSets[idx]["moCoefficients"]; moCoefficientsA = orbSets[idx]["alphaCoefficients"]; moCoefficientsB = orbSets[idx]["betaCoefficients"]; if (isNumericArray(moCoefficients)) { std::vector coeffs; for (auto& moCoefficient : moCoefficients) coeffs.push_back(static_cast(moCoefficient)); basis->setMolecularOrbitals(coeffs, BasisSet::Paired, idx); } else if (isNumericArray(moCoefficientsA) && isNumericArray(moCoefficientsB)) { std::vector coeffsA; for (auto& i : moCoefficientsA) coeffsA.push_back(static_cast(i)); std::vector coeffsB; for (auto& i : moCoefficientsB) coeffsB.push_back(static_cast(i)); basis->setMolecularOrbitals(coeffsA, BasisSet::Alpha, idx); basis->setMolecularOrbitals(coeffsB, BasisSet::Beta, idx); openShell = true; } } // Set the first step as active. basis->setActiveSetStep(0); } if (openShell) { // look for alpha and beta orbital energies json energiesA = orbitals["alphaEnergies"]; json energiesB = orbitals["betaEnergies"]; // check if they are numeric arrays if (isNumericArray(energiesA) && isNumericArray(energiesB)) { std::vector moEnergiesA; for (auto& i : energiesA) moEnergiesA.push_back(static_cast(i)); std::vector moEnergiesB; for (auto& i : energiesB) moEnergiesB.push_back(static_cast(i)); basis->setMolecularOrbitalEnergy(moEnergiesA, BasisSet::Alpha); basis->setMolecularOrbitalEnergy(moEnergiesB, BasisSet::Beta); // look for alpha and beta orbital occupations json occupationsA = orbitals["alphaOccupations"]; json occupationsB = orbitals["betaOccupations"]; // check if they are numeric arrays if (isNumericArray(occupationsA) && isNumericArray(occupationsB)) { std::vector moOccupationsA; for (auto& i : occupationsA) moOccupationsA.push_back(static_cast(i)); std::vector moOccupationsB; for (auto& i : occupationsB) moOccupationsB.push_back(static_cast(i)); basis->setMolecularOrbitalOccupancy(moOccupationsA, BasisSet::Alpha); basis->setMolecularOrbitalOccupancy(moOccupationsB, BasisSet::Beta); } } } } molecule.setBasisSet(basis); } // See if there is any vibration data, load it if so. json vibrations = jsonRoot["vibrations"]; if (vibrations.is_object()) { json frequencies = vibrations["frequencies"]; if (isNumericArray(frequencies)) { Array freqs; for (auto& frequencie : frequencies) { freqs.push_back(static_cast(frequencie)); } molecule.setVibrationFrequencies(freqs); } json intensities = vibrations["intensities"]; if (isNumericArray(intensities)) { Array intens; for (auto& intensitie : intensities) { intens.push_back(static_cast(intensitie)); } molecule.setVibrationIRIntensities(intens); } json raman = vibrations["ramanIntensities"]; if (isNumericArray(raman)) { Array intens; for (auto& i : raman) { intens.push_back(static_cast(i)); } molecule.setVibrationRamanIntensities(intens); } json displacements = vibrations["eigenVectors"]; if (displacements.is_array()) { Array> disps; for (auto arr : displacements) { if (isNumericArray(arr)) { Array mode; mode.resize(arr.size() / 3); double* ptr = &mode[0][0]; for (auto& j : arr) { *(ptr++) = static_cast(j); } disps.push_back(mode); } } molecule.setVibrationLx(disps); } } // check for spectra data json spectra = jsonRoot["spectra"]; if (spectra.is_object()) { // electronic json electronic = spectra["electronic"]; if (electronic.is_object()) { // check to see "energies" and "intensities" json energies = electronic["energies"]; json intensities = electronic["intensities"]; // make sure they are both numeric arrays if (isNumericArray(energies) && isNumericArray(intensities)) { // make sure they are the same size if (energies.size() == intensities.size()) { // create the matrix MatrixX electronicData(energies.size(), 2); // copy the data for (std::size_t i = 0; i < energies.size(); ++i) { electronicData(i, 0) = energies[i]; electronicData(i, 1) = intensities[i]; } // set the data molecule.setSpectra("Electronic", electronicData); } } // check if there's CD data for "rotation" json rotation = electronic["rotation"]; if (isNumericArray(rotation) && rotation.size() == energies.size()) { MatrixX rotationData(rotation.size(), 2); for (std::size_t i = 0; i < rotation.size(); ++i) { rotationData(i, 0) = energies[i]; rotationData(i, 1) = rotation[i]; } molecule.setSpectra("CircularDichroism", rotationData); } } // nmr json nmr = spectra["nmr"]; if (nmr.is_object()) { // chemical shifts json chemicalShifts = nmr["shifts"]; if (isNumericArray(chemicalShifts)) { MatrixX chemicalShiftData(chemicalShifts.size(), 2); for (std::size_t i = 0; i < chemicalShifts.size(); ++i) { chemicalShiftData(i, 0) = static_cast(chemicalShifts[i]); chemicalShiftData(i, 1) = 1.0; } molecule.setSpectra("NMR", chemicalShiftData); } } } // properties if (jsonRoot.find("properties") != jsonRoot.end()) { json properties = jsonRoot["properties"]; if (properties.is_object()) { if (properties.find("totalCharge") != properties.end()) { molecule.setData("totalCharge", static_cast(properties["totalCharge"])); } else if (properties.find("totalSpinMultiplicity") != properties.end()) { molecule.setData("totalSpinMultiplicity", static_cast(properties["totalSpinMultiplicity"])); } else if (properties.find("dipoleMoment") != properties.end()) { // read the numeric array json dipole = properties["dipoleMoment"]; if (isNumericArray(dipole) && dipole.size() == 3) { Core::Variant dipoleMoment(dipole[0], dipole[1], dipole[2]); molecule.setData("dipoleMoment", dipoleMoment); } } // iterate through everything else for (auto& element : properties.items()) { if (element.key() == "totalCharge" || element.key() == "totalSpinMultiplicity" || element.key() == "dipoleMoment") { continue; } if (element.value().type() == json::value_t::array) { // check if it is a numeric array to go into Eigen::MatrixXd json j = element.value(); // convenience std::size_t rows = j.size(); MatrixX matrix; matrix.resize(rows, 1); // default to 1 columns bool isNumeric = true; for (std::size_t row = 0; row < j.size(); ++row) { const auto& jrow = j.at(row); // check to see if we have a simple vector or a matrix if (jrow.type() == json::value_t::array) { matrix.conservativeResize(rows, jrow.size()); for (std::size_t col = 0; col < jrow.size(); ++col) { const auto& value = jrow.at(col); if (value.type() == json::value_t::number_float || value.type() == json::value_t::number_integer || value.type() == json::value_t::number_unsigned) matrix(row, col) = value.get(); else { isNumeric = false; break; } } } else if (jrow.type() == json::value_t::number_float || jrow.type() == json::value_t::number_integer || jrow.type() == json::value_t::number_unsigned) { // just a row vector matrix(row, 0) = jrow.get(); } else { isNumeric = false; break; } } if (isNumeric) molecule.setData(element.key(), matrix); // TODO: add support for non-numeric arrays // std::cout << " property: " << element.key() << " = " << matrix // << " size " << matrix.rows() << 'x' << matrix.cols() // << std::endl; } else if (element.value().type() == json::value_t::number_float) { molecule.setData(element.key(), element.value().get()); } else if (element.value().type() == json::value_t::number_integer) { molecule.setData(element.key(), element.value().get()); } else if (element.value().type() == json::value_t::boolean) { molecule.setData(element.key(), element.value().get()); } else if (element.value().type() == json::value_t::string) { molecule.setData(element.key(), element.value().get()); } else { std::cout << " cannot store property: " << element.key() << " = " << element.value() << " type " << element.value().type_name() << std::endl; } } } } // inputParameters are calculation metadata if (jsonRoot.find("inputParameters") != jsonRoot.end()) { json inputParameters = jsonRoot["inputParameters"]; // add this as a string to the molecule data molecule.setData("inputParameters", inputParameters.dump()); } // Partial charges are optional, but if present should be loaded. json partialCharges = atoms["partialCharges"]; if (partialCharges.is_object()) { // keys are types, values are arrays of charges for (auto& kv : partialCharges.items()) { MatrixX charges(atomCount, 1); if (isNumericArray(kv.value()) && kv.value().size() == atomCount) { for (size_t i = 0; i < kv.value().size(); ++i) { charges(i, 0) = kv.value()[i]; } molecule.setPartialCharges(kv.key(), charges); } } } if (jsonRoot.find("layer") != jsonRoot.end()) { auto names = LayerManager::getMoleculeInfo(&molecule); json visible = jsonRoot["layer"]["visible"]; if (isBooleanArray(visible)) { for (const auto& v : visible) { names->visible.push_back(v); } } json locked = jsonRoot["layer"]["locked"]; if (isBooleanArray(locked)) { for (const auto& l : locked) { names->locked.push_back(l); } } json enables = jsonRoot["layer"]["enable"]; for (const auto& enable : enables.items()) { names->enable[enable.key()] = std::vector(); for (const auto& e : enable.value()) { names->enable[enable.key()].push_back(e); } } json settings = jsonRoot["layer"]["settings"]; for (const auto& setting : settings.items()) { names->settings[setting.key()] = Core::Array(); for (const auto& s : setting.value()) { names->settings[setting.key()].push_back(new LayerData(s)); } } } return true; } bool CjsonFormat::write(std::ostream& file, const Molecule& molecule) { return serialize(file, molecule, true); } bool CjsonFormat::serialize(std::ostream& file, const Molecule& molecule, bool isJson) { json opts; if (!options().empty()) opts = json::parse(options(), nullptr, false); else opts = json::object(); json root; root["chemicalJson"] = 1; if (opts.value("properties", true)) { if (molecule.data("name").type() == Variant::String) root["name"] = molecule.data("name").toString().c_str(); if (molecule.data("inchi").type() == Variant::String) root["inchi"] = molecule.data("inchi").toString().c_str(); } json properties; // these methods assume neutral singlet if not set // or approximate from formal charges and # of electrons properties["totalCharge"] = molecule.totalCharge(); properties["totalSpinMultiplicity"] = molecule.totalSpinMultiplicity(); // loop through all other properties const auto map = molecule.dataMap(); for (const auto& element : map) { if (element.first == "name" || element.first == "inchi") continue; // check for "inputParameters" and handle it separately if (element.first == "inputParameters") { json inputParameters = json::parse(element.second.toString()); root["inputParameters"] = inputParameters; continue; } if (element.second.type() == Variant::String) properties[element.first] = element.second.toString().c_str(); else if (element.second.type() == Variant::Double) properties[element.first] = element.second.toDouble(); else if (element.second.type() == Variant::Float) properties[element.first] = element.second.toFloat(); else if (element.second.type() == Variant::Int) properties[element.first] = element.second.toInt(); else if (element.second.type() == Variant::Bool) properties[element.first] = element.second.toBool(); else if (element.second.type() == Variant::Vector) { // e.g. dipole moment Vector3 v = element.second.toVector3(); json vector; vector.push_back(v.x()); vector.push_back(v.y()); vector.push_back(v.z()); properties[element.first] = vector; } else if (element.second.type() == Variant::Matrix) { MatrixX m = element.second.toMatrix(); json matrix; for (int i = 0; i < m.rows(); ++i) { json row; for (int j = 0; j < m.cols(); ++j) { row.push_back(m(i, j)); } matrix.push_back(row); } properties[element.first] = matrix; } } root["properties"] = properties; if (molecule.unitCell()) { json unitCell; unitCell["a"] = molecule.unitCell()->a(); unitCell["b"] = molecule.unitCell()->b(); unitCell["c"] = molecule.unitCell()->c(); unitCell["alpha"] = molecule.unitCell()->alpha() * RAD_TO_DEG; unitCell["beta"] = molecule.unitCell()->beta() * RAD_TO_DEG; unitCell["gamma"] = molecule.unitCell()->gamma() * RAD_TO_DEG; json vectors; vectors.push_back(molecule.unitCell()->aVector().x()); vectors.push_back(molecule.unitCell()->aVector().y()); vectors.push_back(molecule.unitCell()->aVector().z()); vectors.push_back(molecule.unitCell()->bVector().x()); vectors.push_back(molecule.unitCell()->bVector().y()); vectors.push_back(molecule.unitCell()->bVector().z()); vectors.push_back(molecule.unitCell()->cVector().x()); vectors.push_back(molecule.unitCell()->cVector().y()); vectors.push_back(molecule.unitCell()->cVector().z()); unitCell["cellVectors"] = vectors; // write the Hall number and space group unitCell["hallNumber"] = molecule.hallNumber(); unitCell["spaceGroup"] = Core::SpaceGroups::international(molecule.hallNumber()); root["unitCell"] = unitCell; } // check for spectra data // vibrations are separate if (molecule.spectraTypes().size() != 0) { json spectra, electronic, nmr; bool hasElectronic = false; for (const auto& type : molecule.spectraTypes()) { if (type == "Electronic") { hasElectronic = true; electronic["energies"] = eigenColToJson(molecule.spectra(type), 0); electronic["intensities"] = eigenColToJson(molecule.spectra(type), 1); } else if (type == "CircularDichroism") { electronic["rotation"] = eigenColToJson(molecule.spectra(type), 1); } else if (type == "NMR") { json data; data["shifts"] = eigenColToJson(molecule.spectra(type), 0); spectra["nmr"] = data; } } if (hasElectronic) { spectra["electronic"] = electronic; } root["spectra"] = spectra; } // Create a basis set/MO matrix we can round trip. if (molecule.basisSet() && dynamic_cast(molecule.basisSet())) { json basis; auto gaussian = dynamic_cast(molecule.basisSet()); // Map the shell types from enumeration to integer values. auto symmetry = gaussian->symmetry(); json shellTypes; for (int i : symmetry) { switch (i) { case GaussianSet::S: shellTypes.push_back(0); break; case GaussianSet::P: shellTypes.push_back(1); break; case GaussianSet::D: shellTypes.push_back(2); break; case GaussianSet::D5: shellTypes.push_back(-2); break; default: // Something bad, put in a silly number... shellTypes.push_back(426942); } } basis["shellTypes"] = shellTypes; // This bit is slightly tricky, map from our index to primitives per // shell. if (gaussian->gtoIndices().size() && gaussian->atomIndices().size()) { auto gtoIndices = gaussian->gtoIndices(); auto gtoA = gaussian->gtoA(); json primitivesPerShell; for (size_t i = 0; i < gtoIndices.size() - 1; ++i) primitivesPerShell.push_back(gtoIndices[i + 1] - gtoIndices[i]); primitivesPerShell.push_back(gtoA.size() - gtoIndices.back()); basis["primitivesPerShell"] = primitivesPerShell; auto atomIndices = gaussian->atomIndices(); json shellToAtomMap; for (unsigned int& atomIndice : atomIndices) shellToAtomMap.push_back(atomIndice); basis["shellToAtomMap"] = shellToAtomMap; auto gtoC = gaussian->gtoC(); json exponents; json coefficients; for (size_t i = 0; i < gtoA.size(); ++i) { exponents.push_back(gtoA[i]); coefficients.push_back(gtoC[i]); } basis["exponents"] = exponents; basis["coefficients"] = coefficients; // Write out the basis set if a valid one exists. root["basisSet"] = basis; } // Now get the MO matrix, potentially other things. Need to get a handle // on when we have just one (paired), or two (alpha and beta) to write. auto moMatrix = gaussian->moMatrix(); auto betaMatrix = gaussian->moMatrix(BasisSet::Beta); json moCoefficients; for (int j = 0; j < moMatrix.cols(); ++j) for (int i = 0; i < moMatrix.rows(); ++i) moCoefficients.push_back(moMatrix(i, j)); if (betaMatrix.cols() > 0 && betaMatrix.rows() > 0) { json moBeta; for (int j = 0; j < moMatrix.cols(); ++j) for (int i = 0; i < moMatrix.rows(); ++i) moBeta.push_back(moMatrix(i, j)); root["orbitals"]["alphaCoefficients"] = moCoefficients; root["orbitals"]["betaCoefficients"] = moBeta; } else { root["orbitals"]["moCoefficients"] = moCoefficients; } // Some energy, occupation, and number data potentially. auto energies = gaussian->moEnergy(); if (energies.size() > 0) { json energyData; for (double& energie : energies) { energyData.push_back(energie); } auto betaEnergies = gaussian->moEnergy(BasisSet::Beta); if (betaEnergies.size() > 0) { json betaEnergyData; for (double& energie : betaEnergies) { betaEnergyData.push_back(energie); } root["orbitals"]["alphaEnergies"] = energyData; root["orbitals"]["betaEnergies"] = betaEnergyData; } else root["orbitals"]["energies"] = energyData; } auto occ = gaussian->moOccupancy(); if (occ.size() > 0) { json occData; for (unsigned char& it : occ) occData.push_back(static_cast(it)); auto betaOcc = gaussian->moOccupancy(BasisSet::Beta); if (betaOcc.size() > 0) { json betaOccData; for (unsigned char& it : betaOcc) betaOccData.push_back(static_cast(it)); root["orbitals"]["alphaOccupations"] = occData; root["orbitals"]["betaOccupations"] = betaOccData; } else root["orbitals"]["occupations"] = occData; } auto num = gaussian->moNumber(); if (num.size() > 0) { json numData; for (unsigned int& it : num) numData.push_back(it); root["orbitals"]["numbers"] = numData; } root["orbitals"]["electronCount"] = gaussian->electronCount(); } // Write out any cubes that are present in the molecule. if (molecule.cubeCount() > 0) { const Cube* cube = molecule.cube(0); json cubeData; for (float it : *cube->data()) { cubeData.push_back(it); } // Get the origin, max, spacing, and dimensions to place in the object. json cubeObj; json cubeMin; cubeMin.push_back(cube->min().x()); cubeMin.push_back(cube->min().y()); cubeMin.push_back(cube->min().z()); cubeObj["origin"] = cubeMin; json cubeSpacing; cubeSpacing.push_back(cube->spacing().x()); cubeSpacing.push_back(cube->spacing().y()); cubeSpacing.push_back(cube->spacing().z()); cubeObj["spacing"] = cubeSpacing; json cubeDims; cubeDims.push_back(cube->dimensions().x()); cubeDims.push_back(cube->dimensions().y()); cubeDims.push_back(cube->dimensions().z()); cubeObj["dimensions"] = cubeDims; cubeObj["scalars"] = cubeData; root["cube"] = cubeObj; } // Create and populate the atom arrays. if (molecule.atomCount()) { json elements; json selected; json colors; Vector3ub color; bool hasCustomColors = molecule.colors().size() == molecule.atomCount(); for (Index i = 0; i < molecule.atomCount(); ++i) { elements.push_back(molecule.atom(i).atomicNumber()); selected.push_back(molecule.atomSelected(i)); color = molecule.color(i); colors.push_back(color.x()); colors.push_back(color.y()); colors.push_back(color.z()); } root["atoms"]["elements"]["number"] = elements; if (!molecule.isSelectionEmpty()) root["atoms"]["selected"] = selected; if (hasCustomColors) root["atoms"]["colors"] = colors; // check for partial charges auto partialCharges = molecule.partialChargeTypes(); if (!partialCharges.empty()) { // add them to the atoms object for (const auto& type : partialCharges) { MatrixX chargesMatrix = molecule.partialCharges(type); json charges; for (Index i = 0; i < molecule.atomCount(); ++i) { charges.push_back(chargesMatrix(i, 0)); } root["atoms"]["partialCharges"][type] = charges; } } // 3d positions: if (molecule.atomPositions3d().size() == molecule.atomCount()) { // everything gets real-space Cartesians json coords3d; for (const auto& it : molecule.atomPositions3d()) { coords3d.push_back(it.x()); coords3d.push_back(it.y()); coords3d.push_back(it.z()); } root["atoms"]["coords"]["3d"] = coords3d; // if the unit cell exists, also write fractional coords if (molecule.unitCell()) { json coordsFractional; Array fcoords; CrystalTools::fractionalCoordinates( *molecule.unitCell(), molecule.atomPositions3d(), fcoords); for (auto& fcoord : fcoords) { coordsFractional.push_back(fcoord.x()); coordsFractional.push_back(fcoord.y()); coordsFractional.push_back(fcoord.z()); } root["atoms"]["coords"]["3dFractional"] = coordsFractional; } } // 2d positions: if (molecule.atomPositions2d().size() == molecule.atomCount()) { json coords2d; for (const auto& it : molecule.atomPositions2d()) { coords2d.push_back(it.x()); coords2d.push_back(it.y()); } root["atoms"]["coords"]["2d"] = coords2d; } // forces if present const auto forceVectors = molecule.forceVectors(); if (forceVectors.size() == molecule.atomCount()) { json forces; for (const auto& force : forceVectors) { forces.push_back(force.x()); forces.push_back(force.y()); forces.push_back(force.z()); } root["atoms"]["forces"] = forces; } } // check for atom labels Array atomLabels = molecule.atomLabels(); if (atomLabels.size() == molecule.atomCount()) { json labels; for (Index i = 0; i < molecule.atomCount(); ++i) { labels.push_back(atomLabels[i]); } root["atoms"]["labels"] = labels; } // formal charges json formalCharges; for (size_t i = 0; i < molecule.atomCount(); ++i) { formalCharges.push_back(molecule.formalCharge(i)); } root["atoms"]["formalCharges"] = formalCharges; auto layer = LayerManager::getMoleculeInfo(&molecule)->layer; if (layer.atomCount()) { json atomLayer; for (Index i = 0; i < layer.atomCount(); ++i) { atomLayer.push_back(layer.getLayerID(i)); } root["atoms"]["layer"] = atomLayer; } // Create and populate the bond arrays. if (molecule.bondCount()) { json connections; json order; for (Index i = 0; i < molecule.bondCount(); ++i) { Bond bond = molecule.bond(i); connections.push_back(bond.atom1().index()); connections.push_back(bond.atom2().index()); order.push_back(bond.order()); } root["bonds"]["connections"]["index"] = connections; root["bonds"]["order"] = order; // check if there are bond labels Array bondLabels = molecule.bondLabels(); if (bondLabels.size() == molecule.bondCount()) { json labels; for (Index i = 0; i < molecule.bondCount(); ++i) { labels.push_back(bondLabels[i]); } root["bonds"]["labels"] = labels; } } // Create and populate any residue arrays if (molecule.residues().size() > 0) { json residues; // array of objects for (auto residue : molecule.residues()) { json entry; entry["name"] = residue.residueName(); entry["id"] = residue.residueId(); entry["chainId"] = residue.chainId(); entry["secStruct"] = residue.secondaryStructure(); if (residue.isHeterogen()) entry["hetero"] = true; json color; color.push_back(residue.color()[0]); color.push_back(residue.color()[1]); color.push_back(residue.color()[2]); entry["color"] = color; json atoms; for (const auto& item : residue.atomNameMap()) { // dictionary between names and atom Id atoms[item.first] = item.second.index(); } entry["atoms"] = atoms; residues.push_back(entry); } root["residues"] = residues; } // If there is vibrational data write this out too. if (molecule.vibrationFrequencies().size() > 0) { // A few sanity checks before we begin. assert(molecule.vibrationFrequencies().size() == molecule.vibrationIRIntensities().size()); json modes; json freqs; json inten; json raman; json eigenVectors; for (size_t i = 0; i < molecule.vibrationFrequencies().size(); ++i) { modes.push_back(static_cast(i) + 1); freqs.push_back(molecule.vibrationFrequencies()[i]); inten.push_back(molecule.vibrationIRIntensities()[i]); if (molecule.vibrationRamanIntensities().size() > i) raman.push_back(molecule.vibrationRamanIntensities()[i]); Core::Array atomDisplacements = molecule.vibrationLx(i); json eigenVector; for (auto pos : atomDisplacements) { eigenVector.push_back(pos[0]); eigenVector.push_back(pos[1]); eigenVector.push_back(pos[2]); } eigenVectors.push_back(eigenVector); } root["vibrations"]["modes"] = modes; root["vibrations"]["frequencies"] = freqs; root["vibrations"]["intensities"] = inten; if (molecule.vibrationRamanIntensities().size() > 0) root["vibrations"]["ramanIntensities"] = raman; root["vibrations"]["eigenVectors"] = eigenVectors; } auto names = LayerManager::getMoleculeInfo(&molecule); json visible; for (const bool v : names->visible) { visible.push_back(v); } root["layer"]["visible"] = visible; json locked; for (const bool l : names->locked) { locked.push_back(l); } root["layer"]["locked"] = locked; for (const auto& enables : names->enable) { json enable; for (const bool e : enables.second) { enable.push_back(e); } root["layer"]["enable"][enables.first] = enable; } for (const auto& settings : names->settings) { json setting; for (const auto& e : settings.second) { setting.push_back(e->serialize()); } root["layer"]["settings"][settings.first] = setting; } if (isJson) file << std::setw(2) << root; else { // write msgpack json::to_msgpack(root, file); } return true; } vector CjsonFormat::fileExtensions() const { vector ext; ext.emplace_back("cjson"); return ext; } vector CjsonFormat::mimeTypes() const { vector mime; mime.emplace_back("chemical/x-cjson"); return mime; } } // namespace Avogadro::Io avogadrolibs-1.100.0/avogadro/io/cjsonformat.h000066400000000000000000000035701474375334400212570ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_CJSONFORMAT_H #define AVOGADRO_IO_CJSONFORMAT_H #include "fileformat.h" namespace Avogadro { namespace Core { class GaussianSet; } namespace Io { /** * @class CjsonFormat cjsonformat.h * @brief Implementation of the Chemical JSON format. */ class AVOGADROIO_EXPORT CjsonFormat : public FileFormat { public: CjsonFormat() = default; ~CjsonFormat() override = default; Operations supportedOperations() const override { return ReadWrite | File | Stream | String; } FileFormat* newInstance() const override { return new CjsonFormat; } std::string identifier() const override { return "Avogadro: CJSON"; } std::string name() const override { return "Chemical JSON"; } std::string description() const override { return "CJSON format is a lightweight intermediate format used to exchange " "information between Avogadro and other data parsing applications"; } std::string specificationUrl() const override { return "https://github.com/openchemistry/chemicaljson"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& in, Core::Molecule& molecule) override; bool write(std::ostream& out, const Core::Molecule& molecule) override; // internal - to allow JSON or MsgPack to be written bool deserialize(std::istream& in, Core::Molecule& molecule, bool json); bool serialize(std::ostream& out, const Core::Molecule& molecule, bool json); }; } // namespace Io } // namespace Avogadro #endif // AVOGADRO_IO_CJSONFORMAT_H avogadrolibs-1.100.0/avogadro/io/cmlformat.cpp000066400000000000000000000541031474375334400212470ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "cmlformat.h" #ifdef AVO_USE_HDF5 #include "hdf5dataformat.h" #endif #include #include #include #include #include #include #include #include #include #include #include #include #include #ifndef M_PI #define M_PI 3.14159265358979323846 #endif namespace Avogadro::Io { namespace { const Real DEG_TO_RAD = static_cast(M_PI / 180.0); const Real RAD_TO_DEG = static_cast(180.0 / M_PI); } using std::string; using pugi::xml_document; using pugi::xml_node; using pugi::xml_attribute; using namespace Core; namespace { class CmlFormatPrivate { public: CmlFormatPrivate(Molecule* mol, xml_document& document, std::string filename_) : success(false), molecule(mol), moleculeNode(nullptr), filename(filename_) { // Parse the CML document, and create molecules/elements as necessary. moleculeNode = document.child("molecule"); xml_node cmlNode = document.child("cml"); if (cmlNode) moleculeNode = cmlNode.child("molecule"); if (moleculeNode) { // Parse the various components we know about. #ifdef AVO_USE_HDF5 data(); #endif success = properties(); if (success) success = atoms(); if (success) success = bonds(); } else { error += "Error, no molecule node found."; success = false; } } bool properties() { xml_attribute attribute; xml_node node; node = moleculeNode.child("name"); if (node && node.value()) molecule->setData("name", std::string(node.child_value())); node = moleculeNode.child("identifier"); if (node && node.value()) { attribute = node.attribute("convention"); if (attribute && std::string(attribute.value()) == "iupac:inchi") { attribute = node.attribute("value"); if (attribute && std::string(attribute.name()) == "value") molecule->setData("inchi", std::string(attribute.value())); } } // Unit cell: node = moleculeNode.child("crystal"); if (node) { float a(0); float b(0); float c(0); float alpha(0); float beta(0); float gamma(0); enum { CellA = 0, CellB, CellC, CellAlpha, CellBeta, CellGamma }; std::bitset<6> parsedValues; for (pugi::xml_node scalar = node.child("scalar"); scalar; scalar = scalar.next_sibling("scalar")) { pugi::xml_attribute title = scalar.attribute("title"); const float degToRad(static_cast(M_PI) / 180.0f); if (title) { std::string titleStr(title.value()); if (titleStr == "a") { a = scalar.text().as_float(); parsedValues.set(CellA); } else if (titleStr == "b") { b = scalar.text().as_float(); parsedValues.set(CellB); } else if (titleStr == "c") { c = scalar.text().as_float(); parsedValues.set(CellC); } else if (titleStr == "alpha") { alpha = scalar.text().as_float() * degToRad; parsedValues.set(CellAlpha); } else if (titleStr == "beta") { beta = scalar.text().as_float() * degToRad; parsedValues.set(CellBeta); } else if (titleStr == "gamma") { gamma = scalar.text().as_float() * degToRad; parsedValues.set(CellGamma); } } } if (parsedValues.count() != 6) { error += "Incomplete unit cell description."; return false; } // look for space group, e.g. // xml_node symmetry = node.child("symmetry"); unsigned short hall = 0; if (symmetry) { xml_attribute spaceGroup = symmetry.attribute("spaceGroup"); if (spaceGroup) { // look for space group in the space group table hall = Core::SpaceGroups::hallNumber(std::string(spaceGroup.value())); } } auto* cell = new UnitCell; cell->setCellParameters(a, b, c, alpha, beta, gamma); molecule->setUnitCell(cell); if (hall != 0) molecule->setHallNumber(hall); } return true; } bool atoms() { xml_node atomArray = moleculeNode.child("atomArray"); if (!atomArray) return false; xml_node node = atomArray.child("atom"); Atom atom; while (node) { // Step through all of the atom attributes and store them. { /* Element Attribute Check */ xml_attribute elementAtt = node.attribute("elementType"); if (elementAtt) { unsigned char atomicNumber = Elements::atomicNumberFromSymbol(elementAtt.value()); atom = molecule->addAtom(atomicNumber); } else { // There is no element data, this atom node is corrupt. error += "Warning, corrupt element node found."; return false; } } { /* ID Attribute Check */ xml_attribute idAtt = node.attribute("id"); if (idAtt) atomIds[std::string(idAtt.value())] = atom.index(); else // Atom nodes must have IDs - bail. return false; } // Check for 3D geometry. { /* XYZ3 and Fract Attribute Check */ xml_attribute x3Att = node.attribute("x3"); xml_attribute xFractAtt = node.attribute("xFract"); if (x3Att) { xml_attribute y3 = node.attribute("y3"); xml_attribute z3 = node.attribute("z3"); if (y3 && z3) { // It looks like we have a valid 3D position. Vector3 position(lexicalCast(x3Att.value()), lexicalCast(y3.value()), lexicalCast(z3.value())); atom.setPosition3d(position); } else { // Corrupt 3D position supplied for atom. return false; } } else if (xFractAtt) { if (!molecule->unitCell()) { error += "No unit cell defined. " "Cannot interpret fractional coordinates."; return false; } xml_attribute yF = node.attribute("yFract"); xml_attribute zF = node.attribute("zFract"); if (yF && zF) { Vector3 coord(static_cast(xFractAtt.as_float()), static_cast(yF.as_float()), static_cast(zF.as_float())); molecule->unitCell()->toCartesian(coord, coord); atom.setPosition3d(coord); } else { error += "Missing y or z fractional coordinate on atom."; return false; } } } // Check for 2D geometry. { /* XY2 Attribute Check */ xml_attribute x2Att = node.attribute("x2"); if (x2Att) { xml_attribute y2 = node.attribute("y2"); if (y2) { Vector2 position(lexicalCast(x2Att.value()), lexicalCast(y2.value())); atom.setPosition2d(position); } else { // Corrupt 2D position supplied for atom. return false; } } } // Check formal charge. { /* Formal Charge Attribute Check */ xml_attribute formalChargeAtt = node.attribute("formalCharge"); if (formalChargeAtt) { auto formalCharge = lexicalCast(formalChargeAtt.value()); atom.setFormalCharge(formalCharge); } } // Move on to the next atom node (if there is one). node = node.next_sibling("atom"); } return true; } bool bonds() { xml_node bondArray = moleculeNode.child("bondArray"); if (!bondArray) return true; xml_node node = bondArray.child("bond"); while (node) { xml_attribute attribute = node.attribute("atomRefs2"); Bond bond; if (attribute) { // Should contain two elements separated by a space. std::string refs(attribute.value()); std::vector tokens = split(refs, ' '); if (tokens.size() != 2) // Corrupted file/input we don't understand return false; std::map::const_iterator begin, end; begin = atomIds.find(tokens[0]); end = atomIds.find(tokens[1]); if (begin != atomIds.end() && end != atomIds.end() && begin->second < molecule->atomCount() && end->second < molecule->atomCount()) { bond = molecule->addBond(molecule->atom(begin->second), molecule->atom(end->second)); } else { // Couldn't parse the bond begin and end. return false; } } attribute = node.attribute("order"); if (attribute && strlen(attribute.value()) == 1) { char o = attribute.value()[0]; switch (o) { case '1': case 'S': case 's': bond.setOrder(1); break; case '2': case 'D': case 'd': bond.setOrder(2); break; case '3': case 'T': case 't': bond.setOrder(3); break; case '4': bond.setOrder(4); break; case '5': bond.setOrder(5); break; case '6': bond.setOrder(6); break; default: bond.setOrder(1); } } else { bond.setOrder(1); } // Move on to the next bond node (if there is one). node = node.next_sibling("bond"); } return true; } #ifdef AVO_USE_HDF5 bool data() { xml_node dataNode = moleculeNode.child("dataMap").first_child(); if (!dataNode) return true; Hdf5DataFormat hdf5; hdf5.openFile(filename + ".h5", Hdf5DataFormat::ReadOnly); do { std::string dataNodeName = dataNode.name(); std::string dataName = dataNode.attribute("name").as_string(); std::string dataType = dataNode.attribute("dataType").as_string(); std::stringstream dataStream(dataNode.text().as_string()); Variant variant; // Read data from HDF5? if (dataNodeName == "hdf5data") { if (!hdf5.isOpen()) { error += "CmlFormatPrivate::data: Cannot read data member '" + dataName + "'. Cannot open file " + filename + ".h5."; continue; } if (dataType != "xsd:double") { error += "CmlFormatPrivate::data: Cannot read data member '" + dataName + "'. Data type is not 'double'."; continue; } MatrixX matrix; if (!hdf5.readDataset(dataStream.str(), matrix)) { error += "CmlFormatPrivate::data: Cannot read data member '" + dataName + "': Unable to read data set '" + dataStream.str() + "' from " + filename + ".h5"; continue; } variant.setValue(matrix); } // or read data from CML? else if (dataNodeName == "scalar") { if (dataType == "xsd:boolean") { bool tmp; dataStream >> tmp; variant.setValue(tmp); } else if (dataType == "xsd:int") { int tmp; dataStream >> tmp; variant.setValue(tmp); } else if (dataType == "xsd:long") { long tmp; dataStream >> tmp; variant.setValue(tmp); } else if (dataType == "xsd:float") { float tmp; dataStream >> tmp; variant.setValue(tmp); } else if (dataType == "xsd:double") { double tmp; dataStream >> tmp; variant.setValue(tmp); } else if (dataType == "xsd:string") { string tmp; dataStream >> tmp; variant.setValue(tmp); } else { error += "CmlFormatPrivate::data: handled scalar data type: " + dataType; continue; } } molecule->setData(dataName, variant); } while ((dataNode = dataNode.next_sibling())); hdf5.closeFile(); return true; } #endif bool success; Molecule* molecule; xml_node moleculeNode; std::map atomIds; string filename; string error; }; } bool CmlFormat::read(std::istream& file, Core::Molecule& mol) { xml_document document; pugi::xml_parse_result result = document.load(file); if (!result) { appendError("Error parsing XML: " + std::string(result.description())); return false; } CmlFormatPrivate parser(&mol, document, fileName()); if (!parser.success) appendError(parser.error); return parser.success; } std::string formatNumber(std::stringstream &s, double n) { s.str(""); // clear it s.precision(6); s << n; return s.str(); } std::string formatNumber(std::stringstream &s, int n) { s.str(""); // clear it s << n; return s.str(); } bool CmlFormat::write(std::ostream& out, const Core::Molecule& mol) { xml_document document; // Imbue the output stream with the C numeric locale // i.e. modify current stream locale with "C" numeric std::locale currentLocale(""); std::locale numLocale(out.getloc(), "C", std::locale::numeric); out.imbue(numLocale); // imbue modified locale // We also need to set the locale temporarily for XML string formatting std::stringstream numberStream; // use this to format floats as C-format strings numberStream.imbue(numLocale); // Add a custom declaration node. xml_node declaration = document.prepend_child(pugi::node_declaration); declaration.append_attribute("version") = "1.0"; declaration.append_attribute("encoding") = "UTF-8"; xml_node moleculeNode = document.append_child("molecule"); // Standard XML namespaces for CML. moleculeNode.append_attribute("xmlns") = "http://www.xml-cml.org/schema"; moleculeNode.append_attribute("xmlns:cml") = "http://www.xml-cml.org/dict/cml"; moleculeNode.append_attribute("xmlns:units") = "http://www.xml-cml.org/units/units"; moleculeNode.append_attribute("xmlns:xsd") = "http://www.w3c.org/2001/XMLSchema"; moleculeNode.append_attribute("xmlns:iupac") = "http://www.iupac.org"; // Save the name if present into the file. if (mol.data("name").type() == Variant::String) { xml_node node = moleculeNode.append_child("name"); node.text() = mol.data("name").toString().c_str(); } // If the InChI is available, embed that in the CML file. if (mol.data("inchi").type() == Variant::String) { xml_node node = moleculeNode.append_child("identifier"); node.append_attribute("convention") = "iupac:inchi"; node.append_attribute("value") = mol.data("inchi").toString().c_str(); } // Cell specification const UnitCell* cell = mol.unitCell(); if (cell) { xml_node crystalNode = moleculeNode.append_child("crystal"); // Add the unit cell parameters. xml_node crystalANode = crystalNode.append_child("scalar"); xml_node crystalBNode = crystalNode.append_child("scalar"); xml_node crystalCNode = crystalNode.append_child("scalar"); xml_node crystalAlphaNode = crystalNode.append_child("scalar"); xml_node crystalBetaNode = crystalNode.append_child("scalar"); xml_node crystalGammaNode = crystalNode.append_child("scalar"); crystalANode.append_attribute("title") = "a"; crystalBNode.append_attribute("title") = "b"; crystalCNode.append_attribute("title") = "c"; crystalAlphaNode.append_attribute("title") = "alpha"; crystalBetaNode.append_attribute("title") = "beta"; crystalGammaNode.append_attribute("title") = "gamma"; crystalANode.append_attribute("units") = "units:angstrom"; crystalBNode.append_attribute("units") = "units:angstrom"; crystalCNode.append_attribute("units") = "units:angstrom"; crystalAlphaNode.append_attribute("units") = "units:degree"; crystalBetaNode.append_attribute("units") = "units:degree"; crystalGammaNode.append_attribute("units") = "units:degree"; crystalANode.text() = formatNumber(numberStream, cell->a()).c_str(); crystalBNode.text() = formatNumber(numberStream, cell->b()).c_str(); crystalCNode.text() = formatNumber(numberStream, cell->c()).c_str(); crystalAlphaNode.text() = formatNumber(numberStream, cell->alpha() * RAD_TO_DEG).c_str(); crystalBetaNode.text() = formatNumber(numberStream, cell->beta() * RAD_TO_DEG).c_str(); crystalGammaNode.text() = formatNumber(numberStream, cell->gamma() * RAD_TO_DEG).c_str(); // add the space group unsigned short hall = mol.hallNumber(); if (hall != 0) { xml_node spaceGroupNode = crystalNode.append_child("symmetry"); spaceGroupNode.append_attribute("spaceGroup") = Core::SpaceGroups::international(hall); } } xml_node atomArrayNode = moleculeNode.append_child("atomArray"); for (Index i = 0; i < mol.atomCount(); ++i) { xml_node atomNode = atomArrayNode.append_child("atom"); std::ostringstream index; index << 'a' << i + 1; atomNode.append_attribute("id") = index.str().c_str(); Atom a = mol.atom(i); atomNode.append_attribute("elementType") = Elements::symbol(a.atomicNumber()); if (cell) { Vector3 fracPos = cell->toFractional(a.position3d()); atomNode.append_attribute("xFract") = formatNumber(numberStream,fracPos.x()).c_str(); atomNode.append_attribute("yFract") = formatNumber(numberStream,fracPos.y()).c_str(); atomNode.append_attribute("zFract") = formatNumber(numberStream,fracPos.z()).c_str(); } else { atomNode.append_attribute("x3") = formatNumber(numberStream,a.position3d().x()).c_str(); atomNode.append_attribute("y3") = formatNumber(numberStream,a.position3d().y()).c_str(); atomNode.append_attribute("z3") = formatNumber(numberStream,a.position3d().z()).c_str(); } if(a.formalCharge() != 0) { atomNode.append_attribute("formalCharge") = formatNumber(numberStream, a.formalCharge()).c_str(); } } xml_node bondArrayNode = moleculeNode.append_child("bondArray"); for (Index i = 0; i < mol.bondCount(); ++i) { xml_node bondNode = bondArrayNode.append_child("bond"); Bond b = mol.bond(i); std::ostringstream index; index << "a" << b.atom1().index() + 1 << " a" << b.atom2().index() + 1; bondNode.append_attribute("atomRefs2") = index.str().c_str(); bondNode.append_attribute("order") = b.order(); } #ifdef AVO_USE_HDF5 Hdf5DataFormat hdf5; bool openFile = true; xml_node dataMapNode = moleculeNode.append_child("dataMap"); VariantMap dataMap = mol.dataMap(); for (VariantMap::const_iterator it = dataMap.constBegin(), itEnd = dataMap.constEnd(); it != itEnd; ++it) { const std::string& name_ = (*it).first; // Skip names that are handled elsewhere: if (name_ == "inchi") continue; const Variant& var = (*it).second; if (var.type() == Variant::Null) { appendError("CmlFormat::writeFile: skipping null dataMap member '" + name_ + "'."); continue; } xml_node dataNode = dataMapNode.append_child(); dataNode.append_attribute("name") = name_.c_str(); switch (var.type()) { case Variant::Null: // Already skipped above break; case Variant::Bool: dataNode.set_name("scalar"); dataNode.append_attribute("dataType") = "xsd:boolean"; dataNode.text() = var.toBool(); break; case Variant::Int: dataNode.set_name("scalar"); dataNode.append_attribute("dataType") = "xsd:int"; dataNode.text() = var.toInt(); break; case Variant::Long: dataNode.set_name("scalar"); dataNode.append_attribute("dataType") = "xsd:long"; dataNode.text() = var.toString().c_str(); break; case Variant::Float: dataNode.set_name("scalar"); dataNode.append_attribute("dataType") = "xsd:float"; dataNode.text() = var.toFloat(); break; case Variant::Double: dataNode.set_name("scalar"); dataNode.append_attribute("dataType") = "xsd:double"; dataNode.text() = var.toDouble(); break; case Variant::Pointer: appendError( "CmlFormat::writeFile: Skipping void* molecule data member '" + name_ + "'"); break; case Variant::String: dataNode.set_name("scalar"); dataNode.append_attribute("dataType") = "xsd:string"; dataNode.text() = var.toString().c_str(); break; case Variant::Matrix: { if (openFile) { if (!hdf5.openFile(fileName() + ".h5", Hdf5DataFormat::ReadWriteAppend)) { appendError("CmlFormat::writeFile: Cannot open file: " + fileName() + ".h5"); } openFile = false; } dataNode.set_name("hdf5data"); dataNode.append_attribute("dataType") = "xsd:double"; dataNode.append_attribute("ndims") = "2"; const MatrixX& matrix = var.toMatrixRef(); std::stringstream stream; stream << matrix.rows() << " " << matrix.cols(); dataNode.append_attribute("dims") = stream.str().c_str(); std::string h5Path = std::string("molecule/dataMap/") + name_; dataNode.text() = h5Path.c_str(); hdf5.writeDataset(h5Path, matrix); } break; default: appendError("CmlFormat::writeFile: Unrecognized type for member '" + name_ + "'."); break; } } hdf5.closeFile(); #endif document.save(out, " "); return true; } std::vector CmlFormat::fileExtensions() const { std::vector ext; ext.emplace_back("cml"); return ext; } std::vector CmlFormat::mimeTypes() const { std::vector mime; mime.emplace_back("chemical/x-cml"); return mime; } } // namespace Avogadro::Io avogadrolibs-1.100.0/avogadro/io/cmlformat.h000066400000000000000000000027711474375334400207200ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_CMLFORMAT_H #define AVOGADRO_IO_CMLFORMAT_H #include "fileformat.h" namespace Avogadro::Io { /** * @class CmlFormat cmlformat.h * @brief Implementation of the Chemical Markup Language format. * @author Marcus D. Hanwell */ class AVOGADROIO_EXPORT CmlFormat : public FileFormat { public: CmlFormat() = default; ~CmlFormat() override = default; Operations supportedOperations() const override { return ReadWrite | File | Stream | String; } FileFormat* newInstance() const override { return new CmlFormat; } std::string identifier() const override { return "Avogadro: CML"; } std::string name() const override { return "Chemical Markup Language"; } std::string description() const override { return "TODO: Describe the format."; } std::string specificationUrl() const override { return "http://www.xml-cml.org/schema/schema3/"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& in, Core::Molecule& molecule) override; bool write(std::ostream& out, const Core::Molecule& molecule) override; }; } // namespace Avogadro::Io #endif // CMLFORMAT_H avogadrolibs-1.100.0/avogadro/io/cmsgpackformat.cpp000066400000000000000000000017031474375334400222620ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "cmsgpackformat.h" #include namespace Avogadro::Io { std::vector CMsgPackFormat::fileExtensions() const { std::vector ext; ext.emplace_back("cmpk"); return ext; } std::vector CMsgPackFormat::mimeTypes() const { std::vector mime; mime.emplace_back("chemical/x-cmpack"); return mime; } bool CMsgPackFormat::read(std::istream& in, Core::Molecule& molecule) { return CjsonFormat::deserialize(in, molecule, false); } bool CMsgPackFormat::write(std::ostream& out, const Core::Molecule& molecule) { return CjsonFormat::serialize(out, molecule, false); } } // namespace Avogadro::Io avogadrolibs-1.100.0/avogadro/io/cmsgpackformat.h000066400000000000000000000035441474375334400217340ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_CMSGPACKFORMAT_H #define AVOGADRO_IO_CMSGPACKFORMAT_H #include "cjsonformat.h" #include "fileformat.h" namespace Avogadro { namespace Core { class GaussianSet; } namespace Io { /** * @class CMsgPackFormat cmsgpackformat.h * @brief Implementation of the Chemical MessagePack format. */ class AVOGADROIO_EXPORT CMsgPackFormat : public CjsonFormat { public: // Base class constructors are called automatically CMsgPackFormat() = default; ~CMsgPackFormat() override = default; Operations supportedOperations() const override { return ReadWrite | File | Stream | String; } FileFormat* newInstance() const override { return new CMsgPackFormat; } std::string identifier() const override { return "Avogadro: CMsgPack"; } std::string name() const override { return "Chemical MessagePack"; } std::string description() const override { return "CMsgPack format is a lightweight intermediate format used to " "exchange " "information between Avogadro and other data parsing applications"; } std::string specificationUrl() const override { return "https://github.com/openchemistry/chemicaljson"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& in, Core::Molecule& molecule) override; bool write(std::ostream& out, const Core::Molecule& molecule) override; // write MessagePack bool m_json = false; }; } // namespace Io } // namespace Avogadro #endif // AVOGADRO_IO_CMSGPACKFORMAT_H avogadrolibs-1.100.0/avogadro/io/dcdformat.cpp000066400000000000000000000277661474375334400212450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "dcdformat.h" #include "struct.h" #include #include #include #include #include #include #include #include #include using std::map; using std::string; using std::to_string; using std::vector; namespace Avogadro::Io { using Core::Array; using Core::Atom; using Core::Molecule; using Core::UnitCell; #ifndef _WIN32 #endif #define DCD_EOF (-1) constexpr int DCD_MAGIC = 84; constexpr int DCD_IS_CHARMM = 0x01; constexpr int DCD_HAS_4DIMS = 0x02; constexpr int DCD_HAS_EXTRA_BLOCK = 0x04; int swap_integer(int inp) { return (((inp << 24) & 0xff000000) | ((inp << 8) & 0x00ff0000) | ((inp >> 8) & 0x0000ff00) | ((inp >> 24) & 0x000000ff)); } char swap_endian(char endian) { if (endian == '>') return '<'; else return '>'; } bool DcdFormat::read(std::istream& inStream, Core::Molecule& mol) { /** Endian type, Buffer and Format char containers for unpacking and storing * data using struct library */ char endian = '>'; char buff[BUFSIZ]; char fmt[BUFSIZ]; /** Variables to store various components from the binary data unpacked using * the struct library */ char raw[84]; char* remarks; double DELTA; int magic; int charmm; int NAMNF; int NTITLE; int lenRemarks; int NATOMS; int blockSize; // Determining size of file inStream.seekg(0, inStream.end); int fileLen = inStream.tellg(); inStream.seekg(0, inStream.beg); // Reading magic number snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &magic); if (magic != DCD_MAGIC) { magic = swap_integer(magic); endian = swap_endian(endian); if (magic != DCD_MAGIC) { appendError("File does not start with magic number 84."); return false; } } // CORD snprintf(fmt, sizeof(fmt), "%c%ds", endian, magic); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, raw); if (raw[0] != 'C' || raw[1] != 'O' || raw[2] != 'R' || raw[3] != 'D') { appendError("Keyword CORD not found."); return false; } // Determining whether the trajectory file is from CHARMM or not if (*(reinterpret_cast(raw + 80)) != 0) { charmm = DCD_IS_CHARMM; if (*(reinterpret_cast(raw + 44)) != 0) charmm |= DCD_HAS_EXTRA_BLOCK; if (*(reinterpret_cast(raw + 48)) == 1) charmm |= DCD_HAS_4DIMS; } else { charmm = 0; } // number of fixed atoms NAMNF = *(reinterpret_cast(raw + 36)); // DELTA (timestep) is stored as a double with X-PLOR but as a float with // CHARMM if (charmm & DCD_IS_CHARMM) { float ftmp; ftmp = *(reinterpret_cast(raw + 40)); DELTA = static_cast(ftmp); } else { (DELTA) = *(reinterpret_cast(raw + 40)); } snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &magic); snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &blockSize); if (((blockSize - 4) % 80) == 0) { // Read NTITLE, the number of 80 character title strings snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &NTITLE); lenRemarks = NTITLE * 80; remarks = reinterpret_cast(malloc(lenRemarks)); snprintf(fmt, sizeof(fmt), "%c%ds", endian, lenRemarks); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, remarks); snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); int endSize; struct_unpack(buff, fmt, &endSize); } else { appendError("Block size must be 4 plus a multiple of 80."); return false; } snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); int fourInput; struct_unpack(buff, fmt, &fourInput); if (fourInput != 4) { // Error } snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &NATOMS); snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &fourInput); if (fourInput != 4) { appendError("Expected token 4. Read token " + to_string(fourInput)); return false; } if (NAMNF != 0) { int** FREEINDEXES = reinterpret_cast(calloc((NATOMS - NAMNF), sizeof(int))); if (*FREEINDEXES == nullptr) { appendError("MALLOC failed."); return false; } /* Read in index array size */ snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); int arrSize; struct_unpack(buff, fmt, &arrSize); if (arrSize != (NATOMS - NAMNF) * 4) { appendError("DCD file contains bad format."); return false; } snprintf(fmt, sizeof(fmt), "%c%di", endian, (NATOMS - NAMNF)); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, *FREEINDEXES); snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &arrSize); if (arrSize != (NATOMS - NAMNF) * 4) { appendError("DCD file contains bad format."); return false; } } // CHARMM trajectories have an extra block to be read, that contains // information about the unit cell if ((charmm & DCD_IS_CHARMM) && (charmm & DCD_HAS_EXTRA_BLOCK)) { snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); int leadingNum; struct_unpack(buff, fmt, &leadingNum); if (leadingNum == 48) { double unitcell[6]; for (double & aa : unitcell) { snprintf(fmt, sizeof(fmt), "%c%dd", endian, 1); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &aa); } if (unitcell[1] >= -1.0 && unitcell[1] <= 1.0 && unitcell[3] >= -1.0 && unitcell[3] <= 1.0 && unitcell[4] >= -1.0 && unitcell[4] <= 1.0) { // CHARMM and certain NAMD files have the cosines instead of angles // This formulation improves rounding behavior for orthogonal cells // so that the angles end up at precisely 90 degrees, unlike acos() unitcell[4] = M_PI_2 - asin(unitcell[4]); /* cosBC */ unitcell[3] = M_PI_2 - asin(unitcell[3]); /* cosAC */ unitcell[1] = M_PI_2 - asin(unitcell[1]); /* cosAB */ } mol.setUnitCell(new UnitCell(unitcell[0], unitcell[2], unitcell[5], unitcell[4], unitcell[3], unitcell[1])); } else { inStream.read(buff, leadingNum); } inStream.read(buff, sizeof(int)); } // Reading the atom coordinates int formatint[6]; Array cx, cy, cz; cx.reserve(NATOMS); cy.reserve(NATOMS); cz.reserve(NATOMS); snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &formatint[0]); for (int i = 0; i < NATOMS; ++i) { // X coordinates snprintf(fmt, sizeof(fmt), "%c%df", endian, 1); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &cx[i]); /* code */ } snprintf(fmt, sizeof(fmt), "%c2i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &formatint[1], &formatint[2]); for (int i = 0; i < NATOMS; ++i) { // Y coordinates snprintf(fmt, sizeof(fmt), "%c%df", endian, 1); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &cy[i]); } snprintf(fmt, sizeof(fmt), "%c2i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &formatint[3], &formatint[4]); for (int i = 0; i < NATOMS; ++i) { // Z coordinates snprintf(fmt, sizeof(fmt), "%c%df", endian, 1); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &cz[i]); } snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &formatint[5]); typedef map AtomTypeMap; AtomTypeMap atomTypes; unsigned char customElementCounter = CustomElementMin; for (int i = 0; i < NATOMS; ++i) { Vector3 pos(cx[i], cy[i], cz[i]); AtomTypeMap::const_iterator it; atomTypes.insert(std::make_pair(to_string(i), customElementCounter++)); it = atomTypes.find(to_string(i)); // if (customElementCounter > CustomElementMax) { // appendError("Custom element type limit exceeded."); // return false; // } Atom newAtom = mol.addAtom(it->second); newAtom.setPosition3d(pos); } mol.setTimeStep(0, 0); // Skipping fourth dimension block if ((charmm & DCD_IS_CHARMM) && (charmm & DCD_HAS_EXTRA_BLOCK)) { snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); int sizeToRead; struct_unpack(buff, fmt, &sizeToRead); inStream.read(buff, sizeToRead); inStream.read(buff, sizeof(int)); } // Set the custom element map if needed if (!atomTypes.empty()) { Molecule::CustomElementMap elementMap; for (const auto & atomType : atomTypes) { elementMap.insert(std::make_pair(atomType.second, "Atom " + atomType.first)); } mol.setCustomElementMap(elementMap); } mol.setCoordinate3d(mol.atomPositions3d(), 0); // Do we have an animation? int coordSet = 1; while ((static_cast(inStream.tellg()) != fileLen) && (static_cast(inStream.tellg()) != DCD_EOF)) { // Reading the atom coordinates Array positions; positions.reserve(NATOMS); snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &formatint[0]); for (int i = 0; i < NATOMS; ++i) { // X coordinates snprintf(fmt, sizeof(fmt), "%c%df", endian, 1); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &cx[i]); } snprintf(fmt, sizeof(fmt), "%c2i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &formatint[1], &formatint[2]); for (int i = 0; i < NATOMS; ++i) { // Y coordinates snprintf(fmt, sizeof(fmt), "%c%df", endian, 1); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &cy[i]); } snprintf(fmt, sizeof(fmt), "%c2i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &formatint[3], &formatint[4]); for (int i = 0; i < NATOMS; ++i) { // Z coordinates snprintf(fmt, sizeof(fmt), "%c%df", endian, 1); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &cz[i]); } snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &formatint[5]); for (int i = 0; i < NATOMS; ++i) { Vector3 pos(cx[i], cy[i], cz[i]); positions.push_back(pos); } mol.setTimeStep(DELTA * coordSet, coordSet); // Skipping fourth dimension block if ((charmm & DCD_IS_CHARMM) && (charmm & DCD_HAS_EXTRA_BLOCK)) { snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); int sizeToRead; struct_unpack(buff, fmt, &sizeToRead); inStream.read(buff, sizeToRead); inStream.read(buff, sizeof(int)); } mol.setCoordinate3d(positions, coordSet++); } return true; } bool DcdFormat::write(std::ostream&, const Core::Molecule&) { return false; } std::vector DcdFormat::fileExtensions() const { std::vector ext; ext.emplace_back("dcd"); return ext; } std::vector DcdFormat::mimeTypes() const { std::vector mime; mime.emplace_back("application/octet-stream"); return mime; } } // end Avogadro namespace avogadrolibs-1.100.0/avogadro/io/dcdformat.h000066400000000000000000000027421474375334400206750ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_DCDFORMAT_H #define AVOGADRO_IO_DCDFORMAT_H #include "fileformat.h" namespace Avogadro::Io { /** * @class DcdFormat dcdformat.h * @brief Implementation of the generic dcd trajectory format. * @author Adarsh B */ class AVOGADROIO_EXPORT DcdFormat : public FileFormat { public: DcdFormat() = default; ~DcdFormat() override = default; Operations supportedOperations() const override { return ReadWrite | MultiMolecule | File | Stream | String; } FileFormat* newInstance() const override { return new DcdFormat; } std::string identifier() const override { return "Avogadro: DCD"; } std::string name() const override { return "DCD"; } std::string description() const override { return "CHARMM/NAMD/LAMMPS DCD Trajectory format."; } std::string specificationUrl() const override { return ""; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& inStream, Core::Molecule& molecule) override; bool write(std::ostream& outStream, const Core::Molecule& molecule) override; }; } // namespace Avogadro::Io #endif // AVOGADRO_IO_DCDFORMAT_H avogadrolibs-1.100.0/avogadro/io/fileformat.cpp000066400000000000000000000106621474375334400214150ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "fileformat.h" #include #include #include #include namespace Avogadro::Io { using std::ifstream; using std::locale; using std::ofstream; FileFormat::FileFormat() : m_mode(None), m_in(nullptr), m_out(nullptr) {} FileFormat::~FileFormat() { delete m_in; delete m_out; } bool FileFormat::validateFileName(const std::string& fileName) { bool valid = !fileName.empty(); if (valid) { // check if the filename contains invalid characters static std::string forbiddenChars(",^@={}[]~!?:&*\"|#%<>$\"'();`'"); valid = fileName.find_first_of(forbiddenChars) == std::string::npos; // check if the filename contains ".." which we should not allow valid = valid && fileName.find("..") == std::string::npos; } // Finally check against Windows names // .. we do this on all platforms because CON.cif, for example // is problematic to send to a Windows user. if (valid) { static std::string forbiddenNames( "CON PRN AUX NUL COM1 COM2 COM3 COM4 COM5 " "COM6 COM7 COM8 COM9 LPT1 LPT2 LPT3 LPT4 " "LPT5 LPT6 LPT7 LPT8 LPT9"); // case insensitive search, since con.txt is also a problem // https://stackoverflow.com/a/19839371/131896 auto it = std::search(fileName.begin(), fileName.end(), forbiddenNames.begin(), forbiddenNames.end(), [](unsigned char ch1, unsigned char ch2) { return std::toupper(ch1) == std::toupper(ch2); }); valid = (it == fileName.end()); } return valid; } bool FileFormat::open(const std::string& fileName_, Operation mode_) { close(); m_fileName = fileName_; m_mode = mode_; if (!m_fileName.empty()) { // Imbue the standard C locale. locale cLocale("C"); if (m_mode & Read) { auto* file = new ifstream(m_fileName.c_str(), std::ifstream::binary); m_in = file; if (file->is_open()) { m_in->imbue(cLocale); return true; } else { appendError("Error opening file: " + fileName_); return false; } } else if (m_mode & Write) { auto* file = new ofstream(m_fileName.c_str(), std::ofstream::binary); m_out = file; if (file->is_open()) { m_out->imbue(cLocale); return true; } else { appendError("Error opening file: " + fileName_); return false; } } } return false; } void FileFormat::close() { if (m_in) { delete m_in; m_in = nullptr; } if (m_out) { delete m_out; m_out = nullptr; } m_mode = None; } bool FileFormat::readMolecule(Core::Molecule& molecule) { if (!m_in) return false; return read(*m_in, molecule); } bool FileFormat::writeMolecule(const Core::Molecule& molecule) { if (!m_out) return false; return write(*m_out, molecule); } bool FileFormat::readFile(const std::string& fileName_, Core::Molecule& molecule) { bool result = open(fileName_, Read); if (!result) return false; result = readMolecule(molecule); close(); return result; } bool FileFormat::writeFile(const std::string& fileName_, const Core::Molecule& molecule) { bool result = open(fileName_, Write); if (!result) return false; result = writeMolecule(molecule); close(); return result; } bool FileFormat::readString(const std::string& string, Core::Molecule& molecule) { std::istringstream stream(string, std::istringstream::in); // Imbue the standard C locale. locale cLocale("C"); stream.imbue(cLocale); return read(stream, molecule); } bool FileFormat::writeString(std::string& string, const Core::Molecule& molecule) { std::ostringstream stream(string, std::ostringstream::out); // Imbue the standard C locale. locale cLocale("C"); stream.imbue(cLocale); bool result = write(stream, molecule); string = stream.str(); return result; } void FileFormat::clear() { m_fileName.clear(); m_error.clear(); } void FileFormat::appendError(const std::string& errorString, bool newLine) { m_error += errorString; if (newLine) m_error += "\n"; } } // namespace Avogadro::Io avogadrolibs-1.100.0/avogadro/io/fileformat.h000066400000000000000000000204321474375334400210560ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_FILEFORMAT_H #define AVOGADRO_IO_FILEFORMAT_H #include "avogadroioexport.h" #include #include #include #include #include namespace Avogadro { namespace Core { class Molecule; } namespace Io { /** * @class FileFormat fileformat.h * @brief General API for file formats. * @author Marcus D. Hanwell * * This serves as the common base class for chemical file formats. Classes * deriving from this one override the read and write virtual methods and * operate on the given streams. Several other signatures are available for * convenience. If there is an error reading or writing a file the string * returned by error() will give more details. */ class AVOGADROIO_EXPORT FileFormat { public: FileFormat(); virtual ~FileFormat(); /** * @brief Flags defining supported operations. */ enum Operation { None = 0x0, Read = 0x1, Write = 0x2, ReadWrite = Read | Write, MultiMolecule = 0x4, Stream = 0x10, String = 0x20, File = 0x40, All = ReadWrite | MultiMolecule | Stream | String | File }; using Operations = int; /** * @return Operation flags defining the capabilities of this format. */ virtual Operations supportedOperations() const = 0; /** * @brief Validates the given file name. * * Checks if the filename contains any invalid characters (e.g. ..) * Also checks if the filename contains a restricted name on Windows. * e.g., CON, PRN, AUX, NUL, COM1, COM2, COM3, COM4, COM5, etc. * * @param fileName The name of the file to be validated. * @return true if the file name is valid, false otherwise. */ static bool validateFileName(const std::string& fileName); /** * @brief Open the specified file in Read or Write mode. * @return True on success, false on failure. */ bool open(const std::string& fileName, Operation mode); /** * @brief The mode the format is currently operating in. * @return The mode the format is in. */ Operation mode() { return m_mode; } /** * @brief Check if the supplied mode(s) is being used. * @param isInMode The mode(s) to test against * @return True if the format is currently in the supplied mode(s). */ bool isMode(Operation isInMode) { return (m_mode & isInMode) != None; } /** * @brief Close any opened file handles. */ void close(); /** * @brief Read in a molecule, if there are no molecules to read molecule will * be empty. This can be used to read in one or more molecules from a given * file using repeated calls for each molecule. * @param molecule The molecule the data will be read into. * @return True on success, false on failure. */ bool readMolecule(Core::Molecule& molecule); /** * @brief Write out a molecule. This can be used to write one or more * molecules to a given file using repeated calls for each molecule. * @param molecule The molecule the data will be written from. * @return True on success, false on failure. */ bool writeMolecule(const Core::Molecule& molecule); /** * @brief Read the given @p in stream and load it into @p molecule. * @param in The input file stream. * @param molecule The molecule the data will be read into. * @return True on success, false on failure. */ virtual bool read(std::istream& in, Core::Molecule& molecule) = 0; /** * @brief Write to the given @p out stream the contents of @p molecule. * @param out The output stream to write the data to. * @param molecule The contents of this molecule will be written to output. * @return True on success, false on failure. */ virtual bool write(std::ostream& out, const Core::Molecule& molecule) = 0; /** * @brief Read the given @p fileName and load it into @p molecule. * @param fileName The full path to the file to be read in. * @param molecule The molecule the data will be read into. * @return True on success, false on failure. */ bool readFile(const std::string& fileName, Core::Molecule& molecule); /** * @brief Write to the given @p fileName the contents of @p molecule. * @param fileName The full path to the file to be written. * @param molecule The contents of this molecule will be written to the file. * @return True on success, false on failure. */ bool writeFile(const std::string& fileName, const Core::Molecule& molecule); /** * @brief Read the given @p string and load it into @p molecule. * @param string The string containing the molecule file contents. * @param molecule The molecule the data will be read into. * @return True on success, false on failure. */ bool readString(const std::string& string, Core::Molecule& molecule); /** * @brief Write to the given @p string the contents of @p molecule. * @param string The string to write the contents of the molecule into. * @param molecule The contents of this molecule will be written to the * string. * @return True on success, false on failure. */ bool writeString(std::string& string, const Core::Molecule& molecule); /** * @brief Get the error string, contains errors/warnings encountered. * @return String containing any errors or warnings encountered. */ std::string error() const { return m_error; } /** * @brief Get the file name (if known). * @return The full path to the file name as supplied, can be empty. */ std::string fileName() const { return m_fileName; } /** * @brief Set options for the file reader. * @param options The options, each reader chooses how to use/interpret them. */ void setOptions(const std::string& options) { m_options = options; } /** * @brief Get the file format options, can be used to change file IO. * @return The options set for the reader (defaults to empty). */ std::string options() const { return m_options; } /** * Clear the format and reset all state. */ virtual void clear(); /** * Create a new instance of the file format class. Ownership passes to the * caller. */ virtual FileFormat* newInstance() const = 0; /** * @brief A unique identifier, used to retrieve formats programmatically. * CML, XYZ, PDB etc. A runtime warning will be generated if the identifier * is not unique. */ virtual std::string identifier() const = 0; /** * @brief The name of the format, should be short such as Chemical Markup * Language, XYZ format, Protein Databank etc. */ virtual std::string name() const = 0; /** * A description of the format, along with any relevant help text for users. */ virtual std::string description() const = 0; /** * The URL of the format specification if available (relevant web page/wiki * otherwise). */ virtual std::string specificationUrl() const = 0; /** * @brief Get the file name extension(s) that the format supports reading. * @return A vector containing a list of extensions (in lower case). */ virtual std::vector fileExtensions() const = 0; /** * @brief Get the MIME type(s) that the format supports reading. * @return A vector containing a list of MIME type(s) (in lower case). */ virtual std::vector mimeTypes() const = 0; protected: /** * @brief Append an error to the error string for the format. * @param errorString The error to be added. * @param newLine Add a new line after the error string? */ void appendError(const std::string& errorString, bool newLine = true); private: std::string m_error; std::string m_fileName; std::string m_options; // Streams for reading/writing data, especially streaming data in/out. Operation m_mode; std::istream* m_in; std::ostream* m_out; }; inline FileFormat::Operation operator|(FileFormat::Operation a, FileFormat::Operation b) { return static_cast(static_cast(a) | static_cast(b)); } } // namespace Io } // namespace Avogadro #endif // AVOGADRO_IO_FILEFORMAT_H avogadrolibs-1.100.0/avogadro/io/fileformatmanager.cpp000066400000000000000000000263551474375334400227560ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "fileformatmanager.h" #include "fileformat.h" #include "cjsonformat.h" #include "cmlformat.h" #include "cmsgpackformat.h" #include "dcdformat.h" #include "gromacsformat.h" #include "lammpsformat.h" #include "mdlformat.h" #include "pdbformat.h" #include "sdfformat.h" #include "trrformat.h" #include "turbomoleformat.h" #include "vaspformat.h" #include "xyzformat.h" #ifdef AVO_USE_MMTF #include "mmtfformat.h" #endif #include #include using std::unique_ptr; namespace Avogadro::Io { FileFormatManager& FileFormatManager::instance() { static FileFormatManager instance; return instance; } bool FileFormatManager::readFile(Core::Molecule& molecule, const std::string& fileName, const std::string& fileExtension, const std::string& options) const { FileFormat* format(nullptr); if (fileExtension.empty()) { // We need to guess the file extension. size_t pos = fileName.find_last_of('.'); format = filteredFormatFromFormatMap(fileName.substr(pos + 1), FileFormat::Read | FileFormat::File, m_fileExtensions); } else { format = filteredFormatFromFormatMap( fileExtension, FileFormat::Read | FileFormat::File, m_fileExtensions); } if (!format) return false; unique_ptr formatInstance(format->newInstance()); formatInstance->setOptions(options); return formatInstance->readFile(fileName, molecule); } bool FileFormatManager::writeFile(const Core::Molecule& molecule, const std::string& fileName, const std::string& fileExtension, const std::string& options) const { FileFormat* format(nullptr); if (fileExtension.empty()) { // We need to guess the file extension. size_t pos = fileName.find_last_of('.'); format = filteredFormatFromFormatMap(fileName.substr(pos + 1), FileFormat::Write | FileFormat::File, m_fileExtensions); } else { format = filteredFormatFromFormatMap( fileExtension, FileFormat::Write | FileFormat::File, m_fileExtensions); } if (!format) return false; unique_ptr formatInstance(format->newInstance()); formatInstance->setOptions(options); return formatInstance->writeFile(fileName, molecule); } bool FileFormatManager::readString(Core::Molecule& molecule, const std::string& string, const std::string& fileExtension, const std::string& options) const { FileFormat* format(filteredFormatFromFormatMap( fileExtension, FileFormat::Read | FileFormat::String, m_fileExtensions)); if (!format) return false; unique_ptr formatInstance(format->newInstance()); formatInstance->setOptions(options); return formatInstance->readString(string, molecule); } bool FileFormatManager::writeString(const Core::Molecule& molecule, std::string& string, const std::string& fileExtension, const std::string& options) const { FileFormat* format(filteredFormatFromFormatMap( fileExtension, FileFormat::Write | FileFormat::String, m_fileExtensions)); if (!format) return false; unique_ptr formatInstance(format->newInstance()); formatInstance->setOptions(options); return formatInstance->writeString(string, molecule); } bool FileFormatManager::registerFormat(FileFormat* format) { return instance().addFormat(format); } bool FileFormatManager::unregisterFormat(const std::string& identifier) { return instance().removeFormat(identifier); } bool FileFormatManager::addFormat(FileFormat* format) { if (!format) { appendError("Supplied format was null."); return false; } if (m_identifiers.count(format->identifier()) > 0) { appendError("Format " + format->identifier() + " already loaded."); return false; } for (auto& m_format : m_formats) { if (m_format == format) { appendError("The format object was already loaded."); return false; } } // If we got here then the format is unique enough to be added. size_t index = m_formats.size(); m_formats.push_back(format); m_identifiers[format->identifier()].push_back(index); std::vector mimes = format->mimeTypes(); for (auto& mime : mimes) { m_mimeTypes[mime].push_back(index); } std::vector extensions = format->fileExtensions(); for (auto& extension : extensions) { m_fileExtensions[extension].push_back(index); } return true; } namespace { // Lookup each key from "keys" in "map", and remove "val" from the Map's // data value (which is a vector of ValueType) template void removeFromMap(Map& map, const VectorOfKeys& keys, const ValueType& val) { for (auto key = keys.begin(), keyEnd = keys.end(); key != keyEnd; ++key) { auto mapMatch = map.find(*key); if (mapMatch == map.end()) continue; typename Map::mapped_type& vec = mapMatch->second; if (vec.size() <= 1) { map.erase(*key); } else { auto newEnd = std::remove(vec.begin(), vec.end(), val); vec.resize(newEnd - vec.begin()); } } } } // namespace bool FileFormatManager::removeFormat(const std::string& identifier) { FormatIdVector ids = m_identifiers[identifier]; m_identifiers.erase(identifier); if (ids.empty()) return false; for (size_t id : ids) { FileFormat* fmt = m_formats[id]; if (fmt == nullptr) continue; removeFromMap(m_mimeTypes, fmt->mimeTypes(), id); removeFromMap(m_fileExtensions, fmt->fileExtensions(), id); m_formats[id] = nullptr; delete fmt; } return true; } FileFormat* FileFormatManager::newFormatFromIdentifier( const std::string& id, FileFormat::Operations filter) const { FileFormat* format(filteredFormatFromFormatMap(id, filter, m_identifiers)); return format ? format->newInstance() : nullptr; } FileFormat* FileFormatManager::newFormatFromMimeType( const std::string& mime, FileFormat::Operations filter) const { FileFormat* format(filteredFormatFromFormatMap(mime, filter, m_mimeTypes)); return format ? format->newInstance() : nullptr; } FileFormat* FileFormatManager::newFormatFromFileExtension( const std::string& extension, FileFormat::Operations filter) const { FileFormat* format( filteredFormatFromFormatMap(extension, filter, m_fileExtensions)); return format ? format->newInstance() : nullptr; } std::vector FileFormatManager::identifiers( FileFormat::Operations filter) const { return filteredKeysFromFormatMap(filter, m_identifiers); } std::vector FileFormatManager::mimeTypes( FileFormat::Operations filter) const { return filteredKeysFromFormatMap(filter, m_mimeTypes); } std::vector FileFormatManager::fileExtensions( FileFormat::Operations filter) const { return filteredKeysFromFormatMap(filter, m_fileExtensions); } std::vector FileFormatManager::fileFormats( FileFormat::Operations filter) const { std::vector result; for (auto m_format : m_formats) { if (filter == FileFormat::None || (filter & m_format->supportedOperations()) == filter) { result.push_back(m_format); } } return result; } std::vector FileFormatManager::fileFormatsFromMimeType( const std::string& mimeType, FileFormat::Operations filter) const { std::vector matches = filteredFormatsFromFormatMap(mimeType, filter, m_mimeTypes); return std::vector(matches.begin(), matches.end()); } std::vector FileFormatManager::fileFormatsFromFileExtension( const std::string& extension, FileFormat::Operations filter) const { std::vector matches = filteredFormatsFromFormatMap(extension, filter, m_fileExtensions); return std::vector(matches.begin(), matches.end()); } std::string FileFormatManager::error() const { return m_error; } FileFormatManager::FileFormatManager() { addFormat(new CmlFormat); addFormat(new CjsonFormat); addFormat(new CMsgPackFormat); addFormat(new DcdFormat); addFormat(new GromacsFormat); addFormat(new LammpsTrajectoryFormat); addFormat(new LammpsDataFormat); addFormat(new MdlFormat); addFormat(new OutcarFormat); addFormat(new PdbFormat); addFormat(new PoscarFormat); addFormat(new SdfFormat); addFormat(new TrrFormat); addFormat(new TurbomoleFormat); addFormat(new XyzFormat); #ifdef AVO_USE_MMTF addFormat(new MMTFFormat); #endif } FileFormatManager::~FileFormatManager() { // Delete the file formats that were loaded. for (auto& m_format : m_formats) { delete m_format; } m_formats.clear(); } std::vector FileFormatManager::filteredKeysFromFormatMap( FileFormat::Operations filter, const FileFormatManager::FormatIdMap& fmap) const { std::vector result; for (const auto& it : fmap) { for (auto formatIt = it.second.begin(); formatIt != it.second.end(); ++formatIt) { if (filter == FileFormat::None || (m_formats[*formatIt]->supportedOperations() & filter) == filter) { result.push_back(it.first); break; } } } return result; } std::vector FileFormatManager::filteredFormatsFromFormatMap( const std::string& key, FileFormat::Operations filter, const FileFormatManager::FormatIdMap& fmap) const { std::vector result; auto it = fmap.find(key); if (it != fmap.end()) result = filteredFormatsFromFormatVector(filter, it->second); return result; } FileFormat* FileFormatManager::filteredFormatFromFormatMap( const std::string& key, FileFormat::Operations filter, const FileFormatManager::FormatIdMap& fmap) const { auto it = fmap.find(key); if (it != fmap.end()) return filteredFormatFromFormatVector(filter, it->second); return nullptr; } std::vector FileFormatManager::filteredFormatsFromFormatVector( FileFormat::Operations filter, const FileFormatManager::FormatIdVector& v) const { std::vector result; for (unsigned long it : v) { if (filter == FileFormat::None || (m_formats[it]->supportedOperations() & filter) == filter) { result.push_back(m_formats[it]); } } return result; } FileFormat* FileFormatManager::filteredFormatFromFormatVector( FileFormat::Operations filter, const FileFormatManager::FormatIdVector& v) const { for (unsigned long it : v) { if (filter == FileFormat::None || (m_formats[it]->supportedOperations() & filter) == filter) { return m_formats[it]; } } return nullptr; } void FileFormatManager::appendError(const std::string& errorMessage) { m_error += errorMessage + "\n"; } } // namespace Avogadro::Io avogadrolibs-1.100.0/avogadro/io/fileformatmanager.h000066400000000000000000000316651474375334400224230ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_FILEFORMATMANAGER_H #define AVOGADRO_IO_FILEFORMATMANAGER_H #include "avogadroioexport.h" #include "fileformat.h" // For FileFormat::Operation enum. #include #include #include namespace Avogadro { namespace Core { class Molecule; } namespace Io { /** * @struct CaseInsensitiveComparator fileformatmanager.h * * @brief Class to handle case-insensitive comparisons of file extensions. * Adapted from https://stackoverflow.com/a/3009806/131896 **/ struct CaseInsensitiveComparator { // case-independent (ci) compare_less binary function struct lowerCaseCompare { bool operator()(const unsigned char& c1, const unsigned char& c2) const { return tolower(c1) < tolower(c2); } }; bool operator()(const std::string& s1, const std::string& s2) const noexcept { return std::lexicographical_compare(s1.begin(), s1.end(), // source range s2.begin(), s2.end(), // dest range lowerCaseCompare()); // comparison } }; /** * @class FileFormatManager fileformatmanager.h * * @brief Class to manage registration, searching and creation of file formats. * @author Marcus D. Hanwell * * The file format manager is a singleton class that handles the runtime * registration, search, creation and eventual destruction of file formats. It * can be used to gain a listing of available formats, register new formats and * retrieve the correct format to facilitate file IO. * * All files IO can take place independent of this manager, but for automated * registration and look up this is the preferred API. It is possible to use * the convenience API without ever dealing directly with a format class. */ class AVOGADROIO_EXPORT FileFormatManager { public: /** * Get the singleton instance of the file format manager. This instance should * not be deleted. */ static FileFormatManager& instance(); /** * Load @p molecule with the @p fileName contents supplied, inferring the * @p fileExtension if it is empty. The @p options can be used to modify * the behavior of the file format. * @return True on success, false on failure. */ bool readFile(Core::Molecule& molecule, const std::string& fileName, const std::string& fileExtension = std::string(), const std::string& options = std::string()) const; /** * Write @p molecule to the @p fileName supplied, inferring the * @p fileExtension if it is empty. The @p options can be used to modify * the behavior of the file format. * @return True on success, false on failure. */ bool writeFile(const Core::Molecule& molecule, const std::string& fileName, const std::string& fileExtension = std::string(), const std::string& options = std::string()) const; /** * Load @p molecule with the contents of @p string, using the supplied * @p fileExtension to determine the format. The @p options can be used to * modify the behavior of the file format. * @return True on success, false on failure. */ bool readString(Core::Molecule& molecule, const std::string& string, const std::string& fileExtension, const std::string& options = std::string()) const; /** * Write @p molecule to the @p string, using the supplied @p fileExtension * to determine the format. The @p options can be used to modify the behavior * of the file format. * @return True on success, false on failure. */ bool writeString(const Core::Molecule& molecule, std::string& string, const std::string& fileExtension, const std::string& options = std::string()) const; /** * @brief Register a new file format with the format manager. * @param format An instance of the format to manage, the manager assumes * ownership of the object passed in. * @return True on success, false on failure. */ static bool registerFormat(FileFormat* format); /** * @brief Unregister a file format from the format manager. * @param identifier The identifier for the format to remove. * @return True on success, false on failure. */ static bool unregisterFormat(const std::string& identifier); /** * Add the supplied @p format to the manager, registering its ID, MIME type, * file extension and other relevant data for later lookup. The manager * assumes ownership of the supplied object. * @return True on success, false on failure. */ bool addFormat(FileFormat* format); /** * Remove the format with the identifier @a identifier from the manager. * @return True on success, false on failure. */ bool removeFormat(const std::string& identifier); /** * New instance of the format for the specified @p identifier. Ownership * is passed to the caller. * @param identifier The unique identifier of the format. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. * @return Instance of the format, nullptr if not found. Ownership passes to * the * caller. */ FileFormat* newFormatFromIdentifier( const std::string& identifier, FileFormat::Operations filter = FileFormat::None) const; /** * New instance of the format for the specified @p mimeType. Ownership * is passed to the caller. * @param mimeType The MIME type (in lower case). * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. * @return Instance of the format, nullptr if not found. Ownership passes to * the * caller. */ FileFormat* newFormatFromMimeType( const std::string& mimeType, FileFormat::Operations filter = FileFormat::None) const; /** * New instance of the format for the specified file @p extension. Ownership * is passed to the caller. * @param extension The file extension (in lower case). * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. * @return Instance of the format, nullptr if not found. Ownership passes to * the * caller. */ FileFormat* newFormatFromFileExtension( const std::string& extension, FileFormat::Operations filter = FileFormat::None) const; /** * Get a list of all loaded identifiers, optionally matching the specified * filter. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. */ std::vector identifiers( FileFormat::Operations filter = FileFormat::None) const; /** * Get a list of all loaded MIME types, optionally matching the specified * filter. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. */ std::vector mimeTypes( FileFormat::Operations filter = FileFormat::None) const; /** * Get a list of the file extensions supported, optionally matching the * specified filter. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. */ std::vector fileExtensions( FileFormat::Operations filter = FileFormat::None) const; /** * Get a list of known FileFormat objects, optionally matching the * specified filter. * @warning The objects in the returned list are owned by the * FileFormatManager and cannot be modified. Use FileFormat::newInstance() * to create mutable copies. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. */ std::vector fileFormats( FileFormat::Operations filter = FileFormat::None) const; /** * Get a list of known FileFormat objects that handle the specified MIME type, * optionally matching a filter. * @warning The objects in the returned list are owned by the * FileFormatManager and cannot be modified. Use FileFormat::newInstance() * to create mutable copies. * @param mimeType MIME type. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. */ std::vector fileFormatsFromMimeType( const std::string& mimeType, FileFormat::Operations filter = FileFormat::None) const; /** * Get a list of known FileFormat objects that handle the specified file * extension, optionally matching a filter. * @warning The objects in the returned list are owned by the * FileFormatManager and cannot be modified. Use FileFormat::newInstance() * to create mutable copies. * @param extension File extension. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. */ std::vector fileFormatsFromFileExtension( const std::string& extension, FileFormat::Operations filter = FileFormat::None) const; /** * Get any errors that have been logged when loading formats. */ std::string error() const; private: using FormatIdVector = std::vector; using FormatIdMap = std::map; FileFormatManager(); ~FileFormatManager(); FileFormatManager(const FileFormatManager&); // Not implemented. FileFormatManager& operator=(const FileFormatManager&); // Not implemented. /** * @brief Return keys from a map that have formats matching the supplied * operation filter. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. * @param fmap The FormatMap to operate on. */ std::vector filteredKeysFromFormatMap( FileFormat::Operations filter, const FormatIdMap& fmap) const; /** * @brief Return formats from a map that match the supplied key and operation * filter. * @note Ownership of the format filter(s) remains with the FileFormatManager. * Use FileFormat::newInstance to clone each format before use. * @param key The map key. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. * @param fmap The FormatIdMap to operate on. */ std::vector filteredFormatsFromFormatMap( const std::string& key, FileFormat::Operations filter, const FormatIdMap& fmap) const; /** * @brief Return a format from a map that matches the supplied key and * operation filter. * @note Ownership of the format filter(s) remains with the FileFormatManager. * Use FileFormat::newInstance to clone each format before use. * @param key The map key. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. * @param fmap The FormatIdMap to operate on. */ FileFormat* filteredFormatFromFormatMap(const std::string& key, FileFormat::Operations filter, const FormatIdMap& fmap) const; /** * @brief Return formats from a vector that match the supplied operation * filter. * @note Ownership of the format filter(s) remains with the FileFormatManager. * Use FileFormat::newInstance to clone each format before use. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. * @param fvec The FormatIdVector to operate on. */ std::vector filteredFormatsFromFormatVector( FileFormat::Operations filter, const FormatIdVector& fvec) const; /** * @brief Return the first format from a vector that matches the supplied * operation filter. * @note Ownership of the format filter(s) remains with the FileFormatManager. * Use FileFormat::newInstance to clone each format before use. * @param filter Bitwise combination of FileFormat::Operation values that * represents the minimum required capabilities. * @param fmap The FormatIdVector to operate on. */ FileFormat* filteredFormatFromFormatVector(FileFormat::Operations filter, const FormatIdVector& fvec) const; /** * @brief Append warnings/errors to the error message string. * @param errorMessage The error message to append. */ void appendError(const std::string& errorMessage); std::vector m_formats; FormatIdMap m_identifiers; FormatIdMap m_mimeTypes; FormatIdMap m_fileExtensions; std::string m_error; }; } // namespace Io } // namespace Avogadro #endif // AVOGADRO_IO_FILEFORMATMANAGER_H avogadrolibs-1.100.0/avogadro/io/gromacsformat.cpp000066400000000000000000000156111474375334400221300ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "gromacsformat.h" #include #include #include #include #include #include #include #include #include #include namespace Avogadro::Io { using Core::Atom; using Core::Elements; using Core::lexicalCast; using Core::Molecule; using Core::Residue; using Core::split; using Core::trimmed; using Core::UnitCell; std::vector GromacsFormat::fileExtensions() const { return std::vector(1, std::string("gro")); } std::vector GromacsFormat::mimeTypes() const { return std::vector(1, std::string("chemical/x-gro")); } bool GromacsFormat::read(std::istream& in, Molecule& molecule) { // Allow ADL ofr string using std::string; string buffer; string value; Residue* r = nullptr; size_t currentResidueId = 0; // Title std::getline(in, buffer); if (!buffer.empty()) molecule.setData("name", trimmed(buffer)); // Atom count std::getline(in, buffer); buffer = trimmed(buffer); bool ok; auto numAtoms = lexicalCast(buffer, ok); if (buffer.empty() || !ok) { appendError("Number of atoms (line 2) invalid."); return false; } // read atom info: using AtomTypeMap = std::map; AtomTypeMap atomTypes; unsigned char customElementCounter = CustomElementMin; Vector3 pos; while (numAtoms-- > 0) { std::getline(in, buffer); // Figure out the distance between decimal points, implement support for // variable precision as specified: // "any number of decimal places, the format will then be n+5 positions with // n decimal places (n+1 for velocities) in stead of 8 with 3 (with 4 for // velocities)". size_t decimal1 = buffer.find(".", 20); size_t decimal2 = string::npos; int decimalSep = 0; if (decimal1 != string::npos) decimal2 = buffer.find(".", decimal1 + 1); if (decimal2 != string::npos) decimalSep = decimal2 - decimal1; if (decimalSep == 0) { appendError("Decimal separation of 0 found in atom positions: " + buffer); return false; } if (buffer.size() < static_cast(20 + 3 * decimalSep)) { appendError("Error reading atom specification -- line too short: " + buffer); return false; } // Format of buffer is: (all indices start at 1, variable dp throws this). // Offset: 0 format: %5i value: Residue number // Offset: 5 format: %-5s value: Residue name // Offset: 10 format: %5s value: Atom name // Offset: 15 format: %5i value: Atom number // Offset: 20 format: %8.3f value: x coordinate (nm) // Offset: 28 format: %8.3f value: y coordinate (nm) // Offset: 36 format: %8.3f value: z coordinate (nm) // Offset: 44 format: %8.4f value: x velocity (nm/ps, a.k.a. km/s) // Offset: 52 format: %8.4f value: y velocity (nm/ps, a.k.a. km/s) // Offset: 60 format: %8.4f value: z velocity (nm/ps, a.k.a. km/s) auto residueId = lexicalCast(buffer.substr(0, 5), ok); if (!ok) { appendError("Failed to parse residue sequence number: " + buffer.substr(0, 5)); return false; } if (residueId != currentResidueId) { currentResidueId = residueId; auto residueName = lexicalCast(buffer.substr(5, 5), ok); if (!ok) { appendError("Failed to parse residue name: " + buffer.substr(5, 5)); return false; } // gro files do not have a chain ID. So we use a makeshift dummy ID char dummyChainId = '0'; r = &molecule.addResidue(residueName, currentResidueId, dummyChainId); } // Atom name: value = trimmed(buffer.substr(10, 5)); Atom atom; int atomicNum = 0; if (r != nullptr) r->getAtomicNumber(value); if (atomicNum) { atom = molecule.addAtom(atomicNum); } else { unsigned char atomicNumFromSymbol = Elements::atomicNumberFromSymbol(value); if (atomicNumFromSymbol != 255) { atom = molecule.addAtom(atomicNumFromSymbol); } else { auto it = atomTypes.find(value); if (it == atomTypes.end()) { atomTypes.insert(std::make_pair(value, customElementCounter++)); it = atomTypes.find(value); if (customElementCounter > CustomElementMax) { appendError("Custom element type limit exceeded."); return false; } } atom = molecule.addAtom(it->second); } } // Coords for (int i = 0; i < 3; ++i) { value = trimmed(buffer.substr(20 + i * decimalSep, decimalSep)); pos[i] = lexicalCast(value, ok); if (!ok || value.empty()) { appendError( "Error reading atom specification -- invalid coordinate: '" + buffer + "' (bad coord: '" + value + "')"); return false; } } atom.setPosition3d(pos * static_cast(10.0)); // nm --> Angstrom if (r) { r->addResidueAtom(value, atom); } } // Set the custom element map if needed: if (!atomTypes.empty()) { Molecule::CustomElementMap elementMap; for (const auto & atomType : atomTypes) { elementMap.insert(std::make_pair(atomType.second, atomType.first)); } molecule.setCustomElementMap(elementMap); } // Box description: // v1(x) v2(y) v3(z) [v1(y) v1(z) v2(x) v2(z) v3(x) v3(y)] // The last six values may be omitted, set all non-specified values to 0. // v1(y) == v1(z) == v2(z) == 0 always. std::getline(in, buffer); std::vector tokens(split(buffer, ' ', true)); if (tokens.size() > 0) { if (tokens.size() != 3 && tokens.size() != 9) { appendError("Invalid box specification -- need either 3 or 9 values: '" + buffer + "'"); return false; } // Index arrays for parsing loop: const int rows[] = { 0, 1, 2, 1, 2, 0, 2, 0, 1 }; const int cols[] = { 0, 1, 2, 0, 0, 1, 1, 2, 2 }; Matrix3 cellMatrix = Matrix3::Zero(); for (size_t i = 0; i < tokens.size(); ++i) { cellMatrix(rows[i], cols[i]) = lexicalCast(tokens[i], ok); if (!ok || tokens[i].empty()) { appendError("Invalid box specification -- bad value: '" + tokens[i] + "'"); return false; } } auto* cell = new UnitCell; cell->setCellMatrix(cellMatrix * static_cast(10)); // nm --> Angstrom molecule.setUnitCell(cell); } return true; } bool GromacsFormat::write(std::ostream&, const Core::Molecule&) { return false; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/io/gromacsformat.h000066400000000000000000000031251474375334400215720ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_GROMACSFORMAT_H #define AVOGADRO_IO_GROMACSFORMAT_H #include "avogadroioexport.h" #include "fileformat.h" #include namespace Avogadro::Io { /** * @class GromacsFormat gromacsformat.h * @brief Simple GROMACS .gro file reader. */ class AVOGADROIO_EXPORT GromacsFormat : public FileFormat { public: GromacsFormat() = default; ~GromacsFormat() override = default; Operations supportedOperations() const override { return Read | File | Stream | String; } FileFormat* newInstance() const override { return new GromacsFormat; } std::string identifier() const override { return "Avogadro: GROMACS"; } std::string name() const override { return "GROMACS"; } std::string description() const override { return "Read GROMACS .gro files."; } std::string specificationUrl() const override { return "http://www.gromacs.org/Documentation/File_Formats/.gro_File"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& in, Core::Molecule& molecule) override; // Unimplemented bool write(std::ostream& out, const Core::Molecule& molecule) override; }; } // namespace Avogadro::Io #endif // AVOGADRO_IO_GROMACSFORMAT_H avogadrolibs-1.100.0/avogadro/io/hdf5dataformat.cpp000066400000000000000000000302311474375334400221500ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "hdf5dataformat.h" #include "hdf5.h" #include #include #include namespace Avogadro { namespace Io { // Exclude from Doxygen: /// @cond class Hdf5DataFormat::ResizeContainer { public: virtual ~ResizeContainer(){}; virtual bool resize(const std::vector& dims) = 0; virtual void* dataPointer() = 0; protected: int dimsToNumberOfElements(const std::vector& vec) { if (vec.empty()) return 0; int result = vec.front(); for (size_t i = 1; i < vec.size(); ++i) result *= vec[i]; return result; } }; // Internal storage. Used to keep HDF5 stuff out of the header. class Hdf5DataFormat::Private { public: Private() : fileId(H5I_INVALID_HID), threshold(1024) {} std::string filename; hid_t fileId; size_t threshold; }; namespace { // Build up a list of absolute paths to all datasets in the file. To be used // with H5Ovisit (see Hdf5DataFormat::datasets()). class ListDatasetsVisitor { public: std::vector datasets; static herr_t operation(hid_t /*o_id*/, const char* name, const H5O_info_t* object_info, void* op_data) { // If this object isn't a dataset, continue if (object_info->type != H5O_TYPE_DATASET) return 0; ListDatasetsVisitor* self = reinterpret_cast(op_data); self->datasets.push_back(std::string(name)); return 0; } }; class ResizeMatrixX : public Avogadro::Io::Hdf5DataFormat::ResizeContainer { MatrixX& m_data; public: ResizeMatrixX(MatrixX& data) : m_data(data) {} bool resize(const std::vector& dims) { if (dims.size() != 2) return false; m_data.resize(dims[0], dims[1]); return true; } void* dataPointer() { return m_data.data(); } }; class ResizeVector : public Avogadro::Io::Hdf5DataFormat::ResizeContainer { std::vector& m_data; public: ResizeVector(std::vector& data) : m_data(data) {} bool resize(const std::vector& dims) { m_data.resize(dimsToNumberOfElements(dims)); return true; } void* dataPointer() { return &m_data[0]; } }; class ResizeArray : public Avogadro::Io::Hdf5DataFormat::ResizeContainer { Avogadro::Core::Array& m_data; public: ResizeArray(Avogadro::Core::Array& data) : m_data(data) {} bool resize(const std::vector& dims) { m_data.resize(dimsToNumberOfElements(dims)); return true; } void* dataPointer() { return &m_data[0]; } }; } // end unnamed namespace // end doxygen exclude: /// @endcond Hdf5DataFormat::Hdf5DataFormat() : d(new Private()) { } Hdf5DataFormat::~Hdf5DataFormat() { if (isOpen()) closeFile(); delete d; } bool Hdf5DataFormat::isOpen() const { return d->fileId != H5I_INVALID_HID; } bool Hdf5DataFormat::openFile(const std::string& filename_, Hdf5DataFormat::OpenMode mode) { // File already open? if (isOpen()) return false; switch (mode) { case ReadOnly: // File must exist -- use open d->fileId = H5Fopen(filename_.c_str(), H5F_ACC_RDONLY, H5P_DEFAULT); break; case ReadWriteTruncate: // Create new file: d->fileId = H5Fcreate(filename_.c_str(), H5F_ACC_TRUNC, H5P_DEFAULT, H5P_DEFAULT); break; case ReadWriteAppend: // Test if the file exists: if (FILE* handle = fopen(filename_.c_str(), "r")) { // Exists! Use open fclose(handle); d->fileId = H5Fopen(filename_.c_str(), H5F_ACC_RDWR, H5P_DEFAULT); } else { // File doesn't exist yet. Create it. d->fileId = H5Fcreate(filename_.c_str(), H5F_ACC_EXCL, H5P_DEFAULT, H5P_DEFAULT); } break; } // Error opening if file id is negative if (d->fileId < 0) { d->fileId = H5I_INVALID_HID; return false; } d->filename = filename_; return true; } std::string Hdf5DataFormat::filename() const { return d->filename; } bool Hdf5DataFormat::closeFile() { // Is there a file open? if (!isOpen()) return false; herr_t err = H5Fclose(d->fileId); if (err < 0) return false; d->fileId = H5I_INVALID_HID; d->filename.clear(); return true; } void Hdf5DataFormat::setThreshold(size_t bytes) { d->threshold = bytes; } size_t Hdf5DataFormat::threshold() const { return d->threshold; } bool Hdf5DataFormat::exceedsThreshold(size_t bytes) const { return bytes > d->threshold; } bool Hdf5DataFormat::exceedsThreshold(const MatrixX& data) const { return exceedsThreshold(data.rows() * data.cols() * sizeof(double)); } bool Hdf5DataFormat::exceedsThreshold(const std::vector& data) const { return exceedsThreshold(data.size() * sizeof(double)); } bool Hdf5DataFormat::exceedsThreshold(const Core::Array& data) const { return exceedsThreshold(data.size() * sizeof(double)); } bool Hdf5DataFormat::datasetExists(const std::string& path) const { if (!isOpen()) return false; // "/" cannot be a valid dataset, and this function must take an absolute path if (path.size() < 2) return false; // Verify that all paths leading to the target exist, one by one (grr...) size_t slashIndex = 0; do { slashIndex = path.find('/', slashIndex + 1); if (slashIndex != std::string::npos) { htri_t exists = H5Lexists(d->fileId, path.substr(0, slashIndex).c_str(), H5P_DEFAULT); if (exists != 1) return false; } } while (slashIndex != std::string::npos); // Verify that the deepest link exists if (H5Lexists(d->fileId, path.c_str(), H5P_DEFAULT) != 1) return false; // Verify that the deepest link resolves to an object if (H5Oexists_by_name(d->fileId, path.c_str(), H5P_DEFAULT) != 1) return false; // See if the object is a dataset H5O_info_t info; if (H5Oget_info_by_name(d->fileId, path.c_str(), &info, H5P_DEFAULT) < 0) return false; return info.type == H5O_TYPE_DATASET; } bool Hdf5DataFormat::removeDataset(const std::string& path) const { if (!isOpen()) return false; return H5Ldelete(d->fileId, path.c_str(), H5P_DEFAULT) >= 0; } std::vector Hdf5DataFormat::datasetDimensions( const std::string& path) const { std::vector result; if (!isOpen()) return result; if (!datasetExists(path)) return result; // Open dataset hid_t dataset_id = H5Dopen(d->fileId, path.c_str(), H5P_DEFAULT); if (dataset_id < 0) return result; // Lookup dimensions // Get dataspace for dataset hid_t dataspace_id = H5Dget_space(dataset_id); if (dataset_id < 0) { H5Dclose(dataset_id); return result; } // Get number of dimensions. int ndims = H5Sget_simple_extent_ndims(dataspace_id); if (ndims <= 0) { H5Sclose(dataspace_id); H5Dclose(dataset_id); return result; } // Get actual dimensions. hsize_t* hdims = new hsize_t[ndims]; int checkDims = H5Sget_simple_extent_dims(dataspace_id, hdims, nullptr); // Copy dimensions if successful. if (checkDims == ndims) { result.resize(ndims); std::copy(hdims, hdims + ndims, result.begin()); } // Cleanup. delete[] hdims; H5Sclose(dataspace_id); H5Dclose(dataset_id); return result; } bool Hdf5DataFormat::writeRawDataset(const std::string& path, const double data[], int ndims, size_t dims[]) const { if (!isOpen()) return false; // Remove old data set if it exists. if (datasetExists(path)) { if (!removeDataset(path)) return false; } // Get dimensions of data. hsize_t* hdims = new hsize_t[ndims]; for (int i = 0; i < ndims; ++i) { hdims[i] = static_cast(dims[i]); } // Create a dataspace description. hid_t dataspace_id = H5Screate_simple(ndims, hdims, nullptr); delete[] hdims; if (dataspace_id < 0) return false; // Create any intermediate groups if needed: hid_t lcpl_id = H5Pcreate(H5P_LINK_CREATE); if (lcpl_id == -1 || H5Pset_create_intermediate_group(lcpl_id, 1) < 0) { H5Sclose(dataspace_id); return false; } // Create the dataset. hid_t dataset_id = H5Dcreate(d->fileId, path.c_str(), H5T_NATIVE_DOUBLE, dataspace_id, lcpl_id, H5P_DEFAULT, H5P_DEFAULT); if (dataset_id < 0) { H5Sclose(dataspace_id); return false; } // Write the actual data. herr_t err = H5Dwrite(dataset_id, H5T_NATIVE_DOUBLE, H5S_ALL, dataspace_id, H5P_DEFAULT, data); // Cleanup. H5Dclose(dataset_id); H5Sclose(dataspace_id); if (err < 0) return false; return true; } bool Hdf5DataFormat::writeDataset(const std::string& path, const MatrixX& data) const { size_t dims[2] = { static_cast(data.rows()), static_cast(data.cols()) }; // Transpose data -- Eigen uses column-major ordering. return this->writeRawDataset(path, data.transpose().data(), 2, dims); } bool Hdf5DataFormat::writeDataset(const std::string& path, const std::vector& data, int ndims, size_t* dims) const { size_t size = data.size(); return this->writeRawDataset(path, &(data[0]), ndims, dims ? dims : &size); } bool Hdf5DataFormat::writeDataset(const std::string& path, const Core::Array& data, int ndims, size_t* dims) const { size_t size = data.size(); return this->writeRawDataset(path, &(data[0]), ndims, dims ? dims : &size); } std::vector Hdf5DataFormat::readRawDataset( const std::string& path, ResizeContainer& container) const { std::vector result; if (!isOpen()) return result; if (!datasetExists(path)) return result; // Open dataset hid_t dataset_id = H5Dopen(d->fileId, path.c_str(), H5P_DEFAULT); if (dataset_id < 0) return result; // Lookup dimensions // Get dataspace for dataset hid_t dataspace_id = H5Dget_space(dataset_id); if (dataset_id < 0) { H5Dclose(dataset_id); return result; } // Get number of dimensions. int ndims = H5Sget_simple_extent_ndims(dataspace_id); if (ndims <= 0) { H5Sclose(dataspace_id); H5Dclose(dataset_id); return result; } // Get actual dimensions. hsize_t* hdims = new hsize_t[ndims]; if (H5Sget_simple_extent_dims(dataspace_id, hdims, nullptr) != ndims) { delete[] hdims; H5Sclose(dataspace_id); H5Dclose(dataset_id); return result; } result.reserve(ndims); for (int i = 0; i < ndims; ++i) { result.push_back(static_cast(hdims[i])); } // Allocate and read into data. if (!container.resize(result)) { result.clear(); H5Sclose(dataspace_id); H5Dclose(dataset_id); return result; } if (H5Dread(dataset_id, H5T_NATIVE_DOUBLE, H5S_ALL, dataspace_id, H5P_DEFAULT, container.dataPointer()) < 0) { result.clear(); H5Sclose(dataspace_id); H5Dclose(dataset_id); return result; } // Cleanup H5Sclose(dataspace_id); H5Dclose(dataset_id); return result; } bool Hdf5DataFormat::readDataset(const std::string& path, MatrixX& data) const { ResizeMatrixX container(data); return !readRawDataset(path, container).empty(); } std::vector Hdf5DataFormat::readDataset(const std::string& path, std::vector& data) const { ResizeVector container(data); return readRawDataset(path, container); } std::vector Hdf5DataFormat::readDataset(const std::string& path, Core::Array& data) const { ResizeArray container(data); return readRawDataset(path, container); } std::vector Hdf5DataFormat::datasets() const { if (!isOpen()) return std::vector(); ListDatasetsVisitor visitor; herr_t code = H5Ovisit(d->fileId, H5_INDEX_NAME, H5_ITER_INC, &visitor.operation, &visitor); if (code < 0) return std::vector(); return visitor.datasets; } } // namespace Io } // namespace Avogadro avogadrolibs-1.100.0/avogadro/io/hdf5dataformat.h000066400000000000000000000330501474375334400216170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_HDF5DATAFORMAT_H #define AVOGADRO_HDF5DATAFORMAT_H #include "avogadroioexport.h" #include // can't forward declare eigen types #include #include #include namespace Avogadro { namespace Core { template class Array; } namespace Io { /** * @class Hdf5DataFormat hdf5dataformat.h * @brief The Hdf5DataFormat class provides access to data stored in HDF5 files. * @author Allison Vacanti * * This class is intended to supplement an existing format reader/writer by * providing the option to write large data to an HDF5 file store. The purpose * is to keep text format files at a manageable size. * * To use this class, open or create an HDF5 file with the openFile method, * using the appropriate OpenMode for the intended operation. Data can be * written to the file using the writeDataset methods and retrieved using the * readDataset methods. When finished, call closeFile to release the file * resources from the HDF5 library. * * A complete set of datasets available in an open file can be retrieved with * the datasets() method, and the existence of a particular dataset can be * tested with datasetExists(). removeDataset() can be used to unlink an * existing dataset from the file, though this will not free any space on disk. * The space occupied by an unlinked dataset may be reclaimed by new write * operations, but only if they occur before the file is closed. * * A convenient thresholding system is implemented to help the accompanying text * format writer determine which data is "large" enough to be stored in HDF5. A * size threshold (in bytes) may be set with the setThreshold() function (the * default is 1KB). A data object may be passed to the exceedsThreshold method * to see if the size of the data in the container exceeds the currently set * threshold. If so, it should be written into the HDF5 file by writeDataset. * If not, it should be serialized into the text file in a suitable format. The * thresholding operations are optional; the threshold size does not affect the * behavior of the read/write methods and are only for user convenience. */ class AVOGADROIO_EXPORT Hdf5DataFormat { public: Hdf5DataFormat(); /** Destructor. Closes any open file before freeing memory. */ ~Hdf5DataFormat(); /** Open modes for use with openFile(). */ enum OpenMode { /** Open an existing file in read-only mode. The file must exist. */ ReadOnly = 0, /** * Create a file in read/write mode, removing any existing file with the * same name. */ ReadWriteTruncate, /** * Open an file in read/write mode. If the file exist, its contents will be * preserved. If it does not, a new file will be created. */ ReadWriteAppend }; /** @return true if a file is open. */ bool isOpen() const; /** * @brief openFile Open a file for use by this reader/writer. * @param filename_ Name of the file to open. * @param mode OpenMode for the file. Default is ReadWriteAppend. * @note Only a single file may be opened at a time. Attempting to open * multiple files without calling closeFile() will fail. * @return True if the file is successfully opened/create by the HDF5 * subsystem, false otherwise. */ bool openFile(const std::string& filename_, OpenMode mode = ReadWriteAppend); /** * @return The name of the open file, or an empty string if no file is open. */ std::string filename() const; /** * @brief closeFile Close the file and reset the reader/writer. Another file * may be opened after calling this function. * @return true if the file is successfully released by the HDF5 subsystem. */ bool closeFile(); /** * @brief setThreshold Set the threshold size in bytes that will be used in * the exceedsThreshold functions. The threshold can be used to determine * which * data is considered "large enough" to be stored in HDF5, rather than an * accompanying format. * @param bytes The size in bytes for the threshold. Default: 1KB. */ void setThreshold(size_t bytes); /** @return The current threshold size in bytes. Default: 1KB. */ size_t threshold() const; /** * @brief exceedsThreshold Test if a data set is "large enough" to be stored * in HDF5 format. If this function returns true, the number of bytes tested * is larger than the threshold and the data should be written into the HDF5 * file. If false, the data should be written into the accompanying format. * @param bytes The size of the dataset in bytes * @return true if the size exceeds the threshold set by setThreshold. */ bool exceedsThreshold(size_t bytes) const; /** * @brief exceedsThreshold Test if a data set is "large enough" to be stored * in HDF5 format. If this function returns true, the size of the data in the * object is larger than the threshold and should be written into the HDF5 * file. If false, the data should be written into the accompanying format. * @param data Data object to test. * @return true if the size of the serializable data in @a data exceeds the * threshold set by setThreshold. */ bool exceedsThreshold(const MatrixX& data) const; /** * @brief exceedsThreshold Test if a data set is "large enough" to be stored * in HDF5 format. If this function returns true, the size of the data in the * object is larger than the threshold and should be written into the HDF5 * file. If false, the data should be written into the accompanying format. * @param data Data object to test. * @return true if the size of the serializable data in @a data exceeds the * threshold set by setThreshold. */ bool exceedsThreshold(const std::vector& data) const; /** * @brief exceedsThreshold Test if a data set is "large enough" to be stored * in HDF5 format. If this function returns true, the size of the data in the * object is larger than the threshold and should be written into the HDF5 * file. If false, the data should be written into the accompanying format. * @param data Data object to test. * @return true if the size of the serializable data in @a data exceeds the * threshold set by setThreshold. */ bool exceedsThreshold(const Core::Array& data) const; /** * @brief datasetExists Test if the currently open file contains a dataset at * the HDF5 absolute path @a path. * @param path An absolute path into the HDF5 data. * @return true if the object at @a path both exists and is a dataset, false * otherwise. */ bool datasetExists(const std::string& path) const; /** * @brief removeDataset Remove a dataset from the currently opened file. * @param path An absolute path into the HDF5 data. * @return true if the dataset exists and has been successfully removed. * \warning Removing datasets can be expensive in terms of filesize, as * deleted space cannot be reclaimed by HDF5 once the file is closed, and the * file will not decrease in size as datasets are removed. For details, see * http://www.hdfgroup.org/HDF5/doc/H5.user/Performance.html#Freespace. */ bool removeDataset(const std::string& path) const; /** * @brief datasetDimensions Find the dimensions of a dataset. * @param path An absolute path into the HDF5 data. * @return A vector containing the dimensionality of the data, major dimension * first. If an error is encountered, an empty vector is returned. */ std::vector datasetDimensions(const std::string& path) const; /** * @brief writeDataset Write the data to the currently opened file at the * specified absolute HDF5 path. * @param path An absolute path into the HDF5 data. * @param data The data container to serialize to HDF5. * @return true if the data is successfully written, false otherwise. */ bool writeDataset(const std::string& path, const MatrixX& data) const; /** * @brief writeDataset Write the data to the currently opened file at the * specified absolute HDF5 path. * @param path An absolute path into the HDF5 data. * @param data The data container to serialize to HDF5. * @param ndims The number of dimensions in the data. Default: 1. * @param dims The dimensionality of the data, major dimension first. Default: * data.size(). * @note Since std::vector is a flat container, the dimensionality data is * only used to set up the dataset metadata in the HDF5 container. Omitting * the dimensionality parameters will write a flat array. * @return true if the data is successfully written, false otherwise. */ bool writeDataset(const std::string& path, const std::vector& data, int ndims = 1, size_t* dims = nullptr) const; /** * @brief writeDataset Write the data to the currently opened file at the * specified absolute HDF5 path. * @param path An absolute path into the HDF5 data. * @param data The data container to serialize to HDF5. * @param ndims The number of dimensions in the data. Default: 1. * @param dims The dimensionality of the data, major dimension first. Default: * data.size(). * @note Since this is a flat container, the dimensionality data is * only used to set up the dataset metadata in the HDF5 container. Omitting * the dimensionality parameters will write a flat array. * @return true if the data is successfully written, false otherwise. */ bool writeDataset(const std::string& path, const Core::Array& data, int ndims = 1, size_t* dims = nullptr) const; /** * @brief readDataset Populate the data container @data with data at from the * specified path in the currently opened HDF5 file. * @param path An absolute path into the HDF5 data. * @param data The data container to into which the HDF5 data shall be * deserialized. @a data will be resized to fit the data. * @return true if the data is successfully read, false otherwise. If the * read fails, the @a data object may be left in an unpredictable state. */ bool readDataset(const std::string& path, MatrixX& data) const; /** * @brief readDataset Populate the data container @data with data at from the * specified path in the currently opened HDF5 file. * @param path An absolute path into the HDF5 data. * @param data The data container to into which the HDF5 data shall be * deserialized. @a data will be resized to fit the data. * @return A vector containing the dimensionality of the dataset, major * dimension first. If an error occurs, an empty vector is returned and *data * will be set to nullptr. */ std::vector readDataset(const std::string& path, std::vector& data) const; /** * @brief readDataset Populate the data container @data with data at from the * specified path in the currently opened HDF5 file. * @param path An absolute path into the HDF5 data. * @param data The data container to into which the HDF5 data shall be * deserialized. @a data will be resized to fit the data. * @return A vector containing the dimensionality of the dataset, major * dimension first. If an error occurs, an empty vector is returned and *data * will be set to nullptr. */ std::vector readDataset(const std::string& path, Core::Array& data) const; /** * @brief datasets Traverse the currently opened file and return a list of all * dataset objects in the file. * @return A list of datasets in the current file. * \warning The list is not cached internal and is recalculated on each call. * This may be expensive on large HDF5 files, so external caching is * recommended if this data is frequently needed. */ std::vector datasets() const; /** Used to abstract details of container resizing. */ class ResizeContainer; private: /** * @brief writeRawDataset Write the data to the currently opened file at the * specified absolute HDF5 path. * @param path An absolute path into the HDF5 data. * @param data The data container to serialize to HDF5. * @param ndims The number of dimensions in the data. * @param dims The data dimensions, major dimension first. * @note Since a double[] is a flat container, the dimensionality data is * only used to set up the dataset metadata in the HDF5 container. The result * of multiplying all values in @a dims must equal the length of the @a data. * @return true if the data is successfully written, false otherwise. */ bool writeRawDataset(const std::string& path, const double data[], int ndims, size_t dims[]) const; /** * @brief readRawDataset Populate the data container @data with data from the * specified path in the currently opened HDF5 file. * @param path An absolute path into the HDF5 data. * @param container A subclass of ResizeContainer with the container to read * data into. * @return A vector containing the dimensionality of the dataset, major * dimension first. If an error occurs, an empty vector is returned. */ std::vector readRawDataset(const std::string& path, ResizeContainer& container) const; class Private; /** Internal storage, used to encapsulate HDF5 data. */ Private* const d; }; } // namespace Io } // namespace Avogadro #endif // AVOGADRO_HDF5DATAFORMAT_H avogadrolibs-1.100.0/avogadro/io/lammpsformat.cpp000066400000000000000000000463641474375334400217770ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "lammpsformat.h" #include #include #include #include #include #include #include #include #include #include using std::getline; using std::map; using std::string; using std::to_string; namespace Avogadro::Io { using Core::Array; using Core::Atom; using Core::Bond; using Core::CrystalTools; using Core::Elements; using Core::lexicalCast; using Core::Molecule; using Core::split; using Core::trimmed; using Core::UnitCell; bool LammpsTrajectoryFormat::read(std::istream& inStream, Core::Molecule& mol) { size_t numAtoms = 0, timestep = 0, x_idx = -1, y_idx = -1, z_idx = -1, type_idx = -1, id_idx = -1; double x_min = 0, x_max = 0, y_min = 0, y_max = 0, z_min = 0, z_max = 0, tilt_xy = 0, tilt_xz = 0, tilt_yz = 0, scale_x = 0., scale_y = 0., scale_z = 0.; // This can likely be removed as it is clearly not used anywhere, suppress for // now. AVO_UNUSED(id_idx); string buffer; getline(inStream, buffer); // Finish the first line buffer = trimmed(buffer); if (buffer != "ITEM: TIMESTEP") { appendError("No timestep item found."); return false; } getline(inStream, buffer); if (!buffer.empty()) { timestep = lexicalCast(buffer); mol.setTimeStep(timestep, 0); } getline(inStream, buffer); buffer = trimmed(buffer); if (buffer != "ITEM: NUMBER OF ATOMS") { appendError("No number of atoms item found."); return false; } getline(inStream, buffer); if (!buffer.empty()) numAtoms = lexicalCast(buffer); // If unit cell is triclinic, tilt factors are needed to define the supercell getline(inStream, buffer); if (buffer.find("ITEM: BOX BOUNDS xy xz yz") == 0) { // Read x_min, x_max, tiltfactor_xy getline(inStream, buffer); std::vector box_bounds_x(split(buffer, ' ')); x_min = lexicalCast(box_bounds_x.at(0)); x_max = lexicalCast(box_bounds_x.at(1)); tilt_xy = lexicalCast(box_bounds_x.at(2)); // Read y_min, y_max, tiltfactor_xz getline(inStream, buffer); std::vector box_bounds_y(split(buffer, ' ')); y_min = lexicalCast(box_bounds_y.at(0)); y_max = lexicalCast(box_bounds_y.at(1)); tilt_xz = lexicalCast(box_bounds_y.at(2)); getline(inStream, buffer); // Read z_min, z_max, tiltfactor_yz std::vector box_bounds_z(split(buffer, ' ')); z_min = lexicalCast(box_bounds_z.at(0)); z_max = lexicalCast(box_bounds_z.at(1)); tilt_yz = lexicalCast(box_bounds_z.at(2)); x_min -= std::min(std::min(std::min(tilt_xy, tilt_xz), tilt_xy + tilt_xz), (double)0); x_max -= std::max(std::max(std::max(tilt_xy, tilt_xz), tilt_xy + tilt_xz), (double)0); y_min -= std::min(tilt_yz, (double)0); y_max -= std::max(tilt_yz, (double)0); } // Else if unit cell is orthogonal, tilt factors are zero else if (buffer.find("ITEM: BOX BOUNDS") == 0) { // Read x_min, x_max getline(inStream, buffer); std::vector box_bounds_x(split(buffer, ' ')); x_min = lexicalCast(box_bounds_x.at(0)); x_max = lexicalCast(box_bounds_x.at(1)); // Read y_min, y_max getline(inStream, buffer); std::vector box_bounds_y(split(buffer, ' ')); y_min = lexicalCast(box_bounds_y.at(0)); y_max = lexicalCast(box_bounds_y.at(1)); // Read z_min, z_max getline(inStream, buffer); std::vector box_bounds_z(split(buffer, ' ')); z_min = lexicalCast(box_bounds_z.at(0)); z_max = lexicalCast(box_bounds_z.at(1)); } typedef map AtomTypeMap; AtomTypeMap atomTypes; unsigned char customElementCounter = CustomElementMin; // x,y,z stand for the coordinate axes // s stands for scaled coordinates // u stands for unwrapped coordinates // scale_x = 0. if coordinates are cartesian and 1 if fractional (scaled) getline(inStream, buffer); std::vector labels(split(buffer, ' ')); for (size_t i = 0; i < labels.size(); i++) { if (labels[i] == "x" || labels[i] == "xu") { x_idx = i; scale_x = 0.; } else if (labels[i] == "xs" || labels[i] == "xsu") { x_idx = i; scale_x = 1.; } else if (labels[i] == "y" || labels[i] == "yu") { y_idx = i; scale_y = 0.; } else if (labels[i] == "ys" || labels[i] == "ysu") { y_idx = i; scale_y = 1.; } else if (labels[i] == "z" || labels[i] == "zu") { z_idx = i; scale_z = 0.; } else if (labels[i] == "zs" || labels[i] == "zsu") { z_idx = i; scale_z = 1.; } else if (labels[i] == "type") { type_idx = i; } else if (labels[i] == "id") { id_idx = i; } } // Parse atoms for (size_t i = 0; i < numAtoms; ++i) { getline(inStream, buffer); std::vector tokens(split(buffer, ' ')); if (tokens.size() < labels.size() - 2) { appendError("Not enough tokens in this line: " + buffer); return false; } unsigned char atomicNum(0); atomicNum = lexicalCast(tokens[type_idx - 2]); // If parsed coordinates are fractional, the corresponding unscaling is // done. Else the positions are assigned as parsed. Vector3 pos((1 - scale_x) * lexicalCast(tokens[x_idx - 2]) + scale_x * (x_min + (x_max - x_min) * lexicalCast(tokens[x_idx - 2])), (1 - scale_y) * lexicalCast(tokens[y_idx - 2]) + scale_y * (y_min + (y_max - y_min) * lexicalCast(tokens[y_idx - 2])), (1 - scale_z) * lexicalCast(tokens[z_idx - 2]) + scale_z * (z_min + (z_max - z_min) * lexicalCast(tokens[z_idx - 2]))); auto it = atomTypes.find(to_string(atomicNum)); if (it == atomTypes.end()) { atomTypes.insert( std::make_pair(to_string(atomicNum), customElementCounter++)); it = atomTypes.find(to_string(atomicNum)); if (customElementCounter > CustomElementMax) { appendError("Custom element type limit exceeded."); return false; } } Atom newAtom = mol.addAtom(it->second); newAtom.setPosition3d(pos); } // Set the custom element map if needed: if (!atomTypes.empty()) { Molecule::CustomElementMap elementMap; for (const auto& atomType : atomTypes) { elementMap.insert(std::make_pair(atomType.second, atomType.first)); } mol.setCustomElementMap(elementMap); } // Check that all atoms were handled. if (mol.atomCount() != numAtoms) { std::ostringstream errorStream; errorStream << "Error parsing atom at index " << mol.atomCount() << " (line " << 10 + mol.atomCount() << ").\n" << buffer; appendError(errorStream.str()); return false; } mol.setCoordinate3d(mol.atomPositions3d(), 0); mol.setUnitCell(new UnitCell(Vector3(x_max - x_min, 0, 0), Vector3(tilt_xy, y_max - y_min, 0), Vector3(tilt_xz, tilt_yz, z_max - z_min))); // Do we have an animation? size_t numAtoms2; int coordSet = 1; while (getline(inStream, buffer) && trimmed(buffer) == "ITEM: TIMESTEP") { x_idx = -1; y_idx = -1; z_idx = -1; type_idx = -1; id_idx = -1; x_min = 0; x_max = 0; y_min = 0; y_max = 0; z_min = 0; z_max = 0; tilt_xy = 0; tilt_xz = 0; tilt_yz = 0; scale_x = 0.; scale_y = 0.; scale_z = 0.; getline(inStream, buffer); if (!buffer.empty()) { timestep = lexicalCast(buffer); mol.setTimeStep(timestep, coordSet); } getline(inStream, buffer); buffer = trimmed(buffer); if (buffer != "ITEM: NUMBER OF ATOMS") { appendError("No number of atoms item found."); return false; } getline(inStream, buffer); if (!buffer.empty()) numAtoms2 = lexicalCast(buffer); if (numAtoms2 != numAtoms) { appendError("Number of atoms isn't constant in the trajectory."); } // If unit cell is triclinic, tilt factors are needed to define the // supercell getline(inStream, buffer); if (buffer.find("ITEM: BOX BOUNDS xy xz yz") == 0) { // Read x_min, x_max, tiltfactor_xy getline(inStream, buffer); std::vector box_bounds_x(split(buffer, ' ')); x_min = lexicalCast(box_bounds_x.at(0)); x_max = lexicalCast(box_bounds_x.at(1)); tilt_xy = lexicalCast(box_bounds_x.at(2)); // Read y_min, y_max, tiltfactor_xz getline(inStream, buffer); std::vector box_bounds_y(split(buffer, ' ')); y_min = lexicalCast(box_bounds_y.at(0)); y_max = lexicalCast(box_bounds_y.at(1)); tilt_xz = lexicalCast(box_bounds_y.at(2)); getline(inStream, buffer); // Read z_min, z_max, tiltfactor_yz std::vector box_bounds_z(split(buffer, ' ')); z_min = lexicalCast(box_bounds_z.at(0)); z_max = lexicalCast(box_bounds_z.at(1)); tilt_yz = lexicalCast(box_bounds_z.at(2)); x_min -= std::min(std::min(std::min(tilt_xy, tilt_xz), tilt_xy + tilt_xz), (double)0); x_max -= std::max(std::max(std::max(tilt_xy, tilt_xz), tilt_xy + tilt_xz), (double)0); y_min -= std::min(tilt_yz, (double)0); y_max -= std::max(tilt_yz, (double)0); } // Else if unit cell is orthogonal, tilt factors are zero else if (buffer.find("ITEM: BOX BOUNDS") == 0) { // Read x_min, x_max getline(inStream, buffer); std::vector box_bounds_x(split(buffer, ' ')); x_min = lexicalCast(box_bounds_x.at(0)); x_max = lexicalCast(box_bounds_x.at(1)); // Read y_min, y_max getline(inStream, buffer); std::vector box_bounds_y(split(buffer, ' ')); y_min = lexicalCast(box_bounds_y.at(0)); y_max = lexicalCast(box_bounds_y.at(1)); // Read z_min, z_max getline(inStream, buffer); std::vector box_bounds_z(split(buffer, ' ')); z_min = lexicalCast(box_bounds_z.at(0)); z_max = lexicalCast(box_bounds_z.at(1)); } // x,y,z stand for the coordinate axes // s stands for scaled coordinates // u stands for unwrapped coordinates // scale_x = 0. if coordinates are cartesian and 1 if fractional (scaled) getline(inStream, buffer); labels = std::vector(split(buffer, ' ')); for (size_t i = 0; i < labels.size(); ++i) { if (labels[i] == "x" || labels[i] == "xu") { x_idx = i; scale_x = 0.; } else if (labels[i] == "xs" || labels[i] == "xsu") { x_idx = i; scale_x = 1.; } else if (labels[i] == "y" || labels[i] == "yu") { y_idx = i; scale_y = 0.; } else if (labels[i] == "ys" || labels[i] == "ysu") { y_idx = i; scale_y = 1.; } else if (labels[i] == "z" || labels[i] == "zu") { z_idx = i; scale_z = 0.; } else if (labels[i] == "zs" || labels[i] == "zsu") { z_idx = i; scale_z = 1.; } else if (labels[i] == "type") { type_idx = i; } else if (labels[i] == "id") { id_idx = i; } } Array positions; positions.reserve(numAtoms); for (size_t i = 0; i < numAtoms; ++i) { getline(inStream, buffer); std::vector tokens(split(buffer, ' ')); if (tokens.size() < 5) { appendError("Not enough tokens in this line: " + buffer); return false; } // If parsed coordinates are fractional, the corresponding unscaling is // done. Else the positions are assigned as parsed. Vector3 pos( (1 - scale_x) * lexicalCast(tokens[x_idx - 2]) + scale_x * (x_min + (x_max - x_min) * lexicalCast(tokens[x_idx - 2])), (1 - scale_y) * lexicalCast(tokens[y_idx - 2]) + scale_y * (y_min + (y_max - y_min) * lexicalCast(tokens[y_idx - 2])), (1 - scale_z) * lexicalCast(tokens[z_idx - 2]) + scale_z * (z_min + (z_max - z_min) * lexicalCast(tokens[z_idx - 2]))); positions.push_back(pos); } mol.setCoordinate3d(positions, coordSet++); mol.setUnitCell(new UnitCell(Vector3(x_max - x_min, 0, 0), Vector3(tilt_xy, y_max - y_min, 0), Vector3(tilt_xz, tilt_yz, z_max - z_min))); } return true; } bool LammpsTrajectoryFormat::write(std::ostream&, const Core::Molecule&) { return false; } std::vector LammpsTrajectoryFormat::fileExtensions() const { std::vector ext; ext.emplace_back("dump"); return ext; } std::vector LammpsTrajectoryFormat::mimeTypes() const { std::vector mime; mime.emplace_back("text/lammps"); return mime; } bool LammpsDataFormat::read(std::istream&, Core::Molecule&) { return false; } bool LammpsDataFormat::write(std::ostream& outStream, const Core::Molecule& mol) { Core::Molecule mol2(mol); CrystalTools::rotateToStandardOrientation(mol2, CrystalTools::TransformAtoms); // Title if (mol2.data("name").toString().length()) outStream << mol2.data("name").toString() << std::endl; else outStream << "LAMMPS data file generated by Avogadro" << std::endl; std::ostringstream massStream, atomStream, bondStream; double xmin, xmax, ymin, ymax, zmin, zmax; xmin = xmax = ymin = ymax = zmin = zmax = 0.0; size_t numAtoms = mol2.atomCount(); outStream << to_string(numAtoms) << " atoms\n"; size_t numBonds = mol2.bondCount(); outStream << to_string(numBonds) << " bonds\n"; // A map of atomic symbols to their quantity. size_t idx = 1; Array atomicNumbers = mol2.atomicNumbers(); std::map composition; for (unsigned char& atomicNumber : atomicNumbers) { if (composition.find(atomicNumber) == composition.end()) { composition[atomicNumber] = idx++; } } outStream << composition.size() << " atom types\n"; // Masses massStream << "Masses\n\n"; auto iter = composition.begin(); while (iter != composition.end()) { massStream << iter->second << " " << Elements::mass(iter->first) << "\n"; ++iter; } massStream << std::endl << std::endl << std::endl; if (numAtoms) { // Atomic coordinates atomStream << "Atoms\n\n"; for (Index i = 0; i < numAtoms; ++i) { Atom atom = mol2.atom(i); if (!atom.isValid()) { appendError("Internal error: Atom invalid."); return false; } Vector3 coords = atom.position3d(); if (i == 0) { xmin = coords[0]; xmax = coords[0]; ymin = coords[1]; ymax = coords[1]; zmin = coords[2]; zmax = coords[2]; } else { xmin = std::min(coords[0], xmin); xmax = std::max(coords[0], xmax); ymin = std::min(coords[1], ymin); ymax = std::max(coords[1], ymax); zmin = std::min(coords[2], zmin); zmax = std::max(coords[2], zmax); } const unsigned int lineSize = 256; char atomline[lineSize]; snprintf(atomline, lineSize - 1, "%-*d %d %10f %10f %10f\n", static_cast(log(numAtoms)) + 1, static_cast(i + 1), static_cast(composition[atomicNumbers[i]]), coords.x(), coords.y(), coords.z()); atomStream << atomline; } atomStream << std::endl << std::endl; } if (numBonds) { // Bonds std::map, int> bondIds; int bondItr = 1; bondStream << "Bonds\n\n"; const unsigned int lineSize = 256; for (Index i = 0; i < numBonds; ++i) { char bondline[lineSize]; Bond b = mol2.bond(i); if (bondIds.find(std::make_pair(b.atom1().atomicNumber(), b.atom2().atomicNumber())) != bondIds.end()) { snprintf(bondline, lineSize - 1, "%-*d %7d %7d %7d\n", static_cast(log(numAtoms) + 1), static_cast(i + 1), bondIds[std::make_pair(b.atom1().atomicNumber(), b.atom2().atomicNumber())], static_cast(b.atom1().index() + 1), static_cast(b.atom2().index() + 1)); bondStream << bondline; } else if (bondIds.find(std::make_pair(b.atom2().atomicNumber(), b.atom1().atomicNumber())) != bondIds.end()) { snprintf(bondline, lineSize - 1, "%-*d %7d %7d %7d\n", static_cast(log(numAtoms) + 1), static_cast(i + 1), bondIds[std::make_pair(b.atom1().atomicNumber(), b.atom2().atomicNumber())], static_cast(b.atom2().index() + 1), static_cast(b.atom1().index() + 1)); bondStream << bondline; } else { bondIds.insert(std::make_pair( std::make_pair(b.atom1().atomicNumber(), b.atom2().atomicNumber()), bondItr++)); snprintf(bondline, lineSize - 1, "%-*d %7d %7d %7d\n", static_cast(log(numAtoms) + 1), static_cast(i + 1), bondIds[std::make_pair(b.atom1().atomicNumber(), b.atom2().atomicNumber())], static_cast(b.atom1().index() + 1), static_cast(b.atom2().index() + 1)); bondStream << bondline; } } } UnitCell* unitcell = mol2.unitCell(); const unsigned int lineSize = 256; char simBoxBlock[lineSize]; if (unitcell) { const Matrix3& mat = unitcell->cellMatrix().transpose(); snprintf(simBoxBlock, lineSize - 1, "%10f %10f xlo xhi\n%10f %10f ylo yhi\n%10f %10f zlo zhi\n%10f " "%10f %10f xy xz yz", 0.0, mat(0, 0), 0.0, mat(1, 1), 0.0, mat(2, 2), mat(1, 0), mat(2, 0), mat(2, 1)); outStream << simBoxBlock; } else { snprintf(simBoxBlock, lineSize - 1, "%10f %10f xlo xhi\n%10f %10f ylo yhi\n%10f %10f zlo zhi\n%10f " "%10f %10f xy xz yz", xmin - 0.5, xmax - 0.5, ymin - 0.5, ymax - 0.5, zmin - 0.5, zmax - 0.5, 0.0, 0.0, 0.0); outStream << simBoxBlock; } outStream << std::endl << std::endl << std::endl; outStream << massStream.str(); outStream << atomStream.str(); outStream << bondStream.str(); return true; } std::vector LammpsDataFormat::fileExtensions() const { std::vector ext; ext.emplace_back("lmpdat"); return ext; } std::vector LammpsDataFormat::mimeTypes() const { std::vector mime; mime.emplace_back("N/A"); return mime; } } // namespace Avogadro::Io avogadrolibs-1.100.0/avogadro/io/lammpsformat.h000066400000000000000000000050761474375334400214370ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_LAMMPSFORMAT_H #define AVOGADRO_IO_LAMMPSFORMAT_H #include "fileformat.h" namespace Avogadro::Io { /** * @class LammpsTrajectoryFormat lammpsformat.h * @brief Implementation of the generic lammps trajectory format. * @author Adarsh B */ class AVOGADROIO_EXPORT LammpsTrajectoryFormat : public FileFormat { public: LammpsTrajectoryFormat() = default; ~LammpsTrajectoryFormat() override = default; Operations supportedOperations() const override { return ReadWrite | MultiMolecule | File | Stream | String; } FileFormat* newInstance() const override { return new LammpsTrajectoryFormat; } std::string identifier() const override { return "Avogadro: LAMMPS Trajectory dump"; } std::string name() const override { return "LAMMPS"; } std::string description() const override { return "Generic LAMMPS Trajectory format."; } std::string specificationUrl() const override { return "http://lammps.sandia.gov/"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& inStream, Core::Molecule& molecule) override; bool write(std::ostream& outStream, const Core::Molecule& molecule) override; }; class AVOGADROIO_EXPORT LammpsDataFormat : public FileFormat { public: LammpsDataFormat() = default; ~LammpsDataFormat() override = default; Operations supportedOperations() const override { return ReadWrite | MultiMolecule | File | Stream | String; } FileFormat* newInstance() const override { return new LammpsDataFormat; } std::string identifier() const override { return "Avogadro: LAMMPS Data"; } std::string name() const override { return "LAMMPS"; } std::string description() const override { return "Generic LAMMPS Data format."; } std::string specificationUrl() const override { return "http://lammps.sandia.gov/"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& inStream, Core::Molecule& molecule) override; bool write(std::ostream& outStream, const Core::Molecule& molecule) override; }; } // namespace Avogadro::Io // end Avogadro namespace #endif // AVOGADRO_IO_LAMMPSFORMAT_H avogadrolibs-1.100.0/avogadro/io/mdlformat.cpp000066400000000000000000000470531474375334400212560ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "mdlformat.h" #include #include #include #include #include #include #include #include #include #include #include using Avogadro::Core::Atom; using Avogadro::Core::Bond; using Avogadro::Core::Elements; using Avogadro::Core::lexicalCast; using Avogadro::Core::split; using Avogadro::Core::startsWith; using Avogadro::Core::trimmed; using std::getline; using std::istringstream; using std::setprecision; using std::setw; using std::string; namespace Avogadro::Io { using chargePair = std::pair; namespace { // Helper function to handle partial charge property blocks // e.g. PUBCHEM_MMFF94_PARTIAL_CHARGES void handlePartialCharges(Core::Molecule& mol, std::string data) { // the string starts with the number of charges // then atom index charge MatrixX charges(mol.atomCount(), 1); std::istringstream iss(data); size_t numCharges; iss >> numCharges; for (size_t i = 0; i < numCharges; ++i) { size_t index; Real charge; iss >> index >> charge; // prints with atom index 1, not zero charges(index - 1, 0) = charge; } mol.setPartialCharges("MMFF94", charges); } } // namespace bool MdlFormat::read(std::istream& in, Core::Molecule& mol) { string buffer; int spinMultiplicity = 1; // check for RAD lines // The first line is the molecule name. getline(in, buffer); buffer = trimmed(buffer); // Check for the record separator in SDF, and skip if found. if (buffer == "$$$$") { getline(in, buffer); buffer = trimmed(buffer); } if (!buffer.empty()) mol.setData("name", buffer); // Skip the next two lines (generator, and comment). getline(in, buffer); getline(in, buffer); // The counts line, and version identifier. getline(in, buffer); bool ok(false); int numAtoms(lexicalCast(buffer.substr(0, 3), ok)); if (!ok) { appendError("Error parsing number of atoms."); return false; } int numBonds(lexicalCast(buffer.substr(3, 3), ok)); if (!ok) { appendError("Error parsing number of bonds."); return false; } string mdlVersion(trimmed(buffer.substr(33))); if (mdlVersion == "V3000") return readV3000(in, mol); else if (mdlVersion != "V2000") { appendError("Unsupported MDL version: " + mdlVersion); return false; } // Parse the atom block. std::vector chargeList; for (int i = 0; i < numAtoms; ++i) { Vector3 pos; getline(in, buffer); pos.x() = lexicalCast(buffer.substr(0, 10), ok); if (!ok) { appendError("Failed to parse x coordinate: " + buffer.substr(0, 10)); return false; } pos.y() = lexicalCast(buffer.substr(10, 10), ok); if (!ok) { appendError("Failed to parse y coordinate: " + buffer.substr(10, 10)); return false; } pos.z() = lexicalCast(buffer.substr(20, 10), ok); if (!ok) { appendError("Failed to parse z coordinate: " + buffer.substr(20, 10)); return false; } string element(trimmed(buffer.substr(31, 3))); auto charge(lexicalCast(trimmed(buffer.substr(36, 3)))); if (!buffer.empty()) { unsigned char atomicNum = Elements::atomicNumberFromSymbol(element); Atom newAtom = mol.addAtom(atomicNum); newAtom.setPosition3d(pos); // In case there's no CHG property if (charge == 4) // doublet radical spinMultiplicity += 1; charge = (charge > 4) ? ((charge <= 7) ? 4 - charge : 0) : ((charge < 4) ? charge : 0); if (charge) chargeList.emplace_back(newAtom.index(), charge); continue; } else { appendError("Error parsing atom block: " + buffer); return false; } } // Parse the bond block. for (int i = 0; i < numBonds; ++i) { // Bond atom indices start at 1, -1 for C++. getline(in, buffer); int begin(lexicalCast(buffer.substr(0, 3), ok) - 1); if (!ok) { appendError("Error parsing beginning bond index:" + buffer.substr(0, 3)); return false; } int end(lexicalCast(buffer.substr(3, 3), ok) - 1); if (!ok) { appendError("Error parsing end bond index:" + buffer.substr(3, 3)); return false; } int order(lexicalCast(buffer.substr(6, 3), ok)); if (!ok) { appendError("Error parsing bond order:" + buffer.substr(6, 3)); return false; } if (begin < 0 || begin >= numAtoms || end < 0 || end >= numAtoms) { appendError("Bond read in with out of bounds index."); return false; } mol.addBond(mol.atom(begin), mol.atom(end), static_cast(order)); } // Parse the properties block until the end of the file. // Property lines count is not used, as it it now unsupported. bool foundEnd(false); bool foundChgProperty(false); while (getline(in, buffer)) { string prefix = buffer.substr(0, 6); if (prefix == "M END") { foundEnd = true; break; } else if (prefix == "M CHG") { if (!foundChgProperty) chargeList.clear(); // Forget old-style charges size_t entryCount(lexicalCast(buffer.substr(6, 3), ok)); for (size_t i = 0; i < entryCount; i++) { size_t index(lexicalCast(buffer.substr(10 + 8 * i, 3), ok) - 1); if (!ok) { appendError("Error parsing charged atom index:" + buffer.substr(10 + 8 * i, 3)); return false; } auto charge(lexicalCast(buffer.substr(14 + 8 * i, 3), ok)); if (!ok) { appendError("Error parsing atom charge:" + buffer.substr(14 + 8 * i, 3)); return false; } if (charge) chargeList.emplace_back(index, charge); } } else if (prefix == "M RAD") { // radical center spinMultiplicity = 1; // reset and count size_t entryCount(lexicalCast(buffer.substr(6, 3), ok)); for (size_t i = 0; i < entryCount; i++) { size_t index(lexicalCast(buffer.substr(10 + 8 * i, 3), ok) - 1); if (!ok) { appendError("Error parsing radical atom index:" + buffer.substr(10 + 8 * i, 3)); return false; } auto radical(lexicalCast(buffer.substr(14 + 8 * i, 3), ok)); if (!ok) { appendError("Error parsing radical type:" + buffer.substr(14 + 8 * i, 3)); return false; } // we don't set radical centers, just count them // for the total spin multiplicity if (radical == 2) // doublet spinMultiplicity += 1; else if (radical == 3) // triplet spinMultiplicity += 2; } } else if (prefix == "M ISO") { // isotope size_t entryCount(lexicalCast(buffer.substr(6, 3), ok)); for (size_t i = 0; i < entryCount; i++) { size_t index(lexicalCast(buffer.substr(10 + 8 * i, 3), ok) - 1); if (!ok) { appendError("Error parsing isotope atom index:" + buffer.substr(10 + 8 * i, 3)); return false; } auto isotope(lexicalCast(buffer.substr(14 + 8 * i, 3), ok)); if (!ok) { appendError("Error parsing isotope type:" + buffer.substr(14 + 8 * i, 3)); return false; } // TODO: Implement isotope setting // mol.atom(index).setIsotope(isotope); } } } if (!foundEnd) { appendError("Error, ending tag for file not found."); return false; } // Apply charges. for (auto& i : chargeList) { size_t index = i.first; signed int charge = i.second; mol.setFormalCharge(index, charge); } // Set the total spin multiplicity if (spinMultiplicity > 1) mol.setData("totalSpinMultiplicity", spinMultiplicity); // Check that all atoms were handled. if (mol.atomCount() != static_cast(numAtoms) || mol.bondCount() != static_cast(numBonds)) { std::ostringstream errorStream; errorStream << "Error parsing file, got " << mol.atomCount() << "atoms, expected " << numAtoms << ", got " << mol.bondCount() << ", expected " << numBonds << "."; appendError(errorStream.str()); return false; } // Now parse the data block. bool inValue(false); string dataName; string dataValue; while (getline(in, buffer)) { if (trimmed(buffer) == "$$$$") break; if (inValue) { if (buffer.empty() && dataName.length() > 0) { // check for partial charges if (dataName == "PUBCHEM_MMFF94_PARTIAL_CHARGES") handlePartialCharges(mol, dataValue); else mol.setData(dataName, dataValue); dataName.clear(); dataValue.clear(); inValue = false; } else { if (dataValue.length()) dataValue += "\n"; dataValue += buffer; } } else if (startsWith(buffer, "> ")) { // This is a data header, read the name of the entry, and the value on // the following lines. // e.g., > // dataName will be anything from < to > size_t start = buffer.find('<'); size_t end = buffer.find('>', start); if (start != string::npos && end != string::npos) { dataName = buffer.substr(start + 1, end - start - 1); inValue = true; } } } // handle pKa from QupKake model if (mol.hasData("pka") && mol.hasData("idx")) { // pka can sometimes say "tensor(3.1452)" or "3.1452" // just convert to a string with 2 decimal places std::string pka = mol.data("pka").toString(); if (startsWith(pka, "tensor(")) pka = pka.substr(7, pka.size() - 8); // find the decimal to only keep 2 decimal places size_t decimal = pka.find("."); if (decimal != std::string::npos) pka = pka.substr(0, decimal + 3); mol.setData("pka", pka); // convert the idx to an atom index // and set the label std::string idx = mol.data("idx").toString(); size_t atomIdx = lexicalCast(idx); mol.setAtomLabel(atomIdx, pka); } return true; } bool MdlFormat::readV3000(std::istream& in, Core::Molecule& mol) { string buffer; int spinMultiplicity = 1; // check for RAD lines // we should have M V30 BEGIN CTAB getline(in, buffer); if (trimmed(buffer) != "M V30 BEGIN CTAB") { appendError("Error parsing V3000 file, expected 'M V30 BEGIN CTAB'."); return false; } // now we should get the counts line // e.g. 'M V30 COUNTS 23694 24297 0 0 1' getline(in, buffer); // split by whitespace std::vector counts = split(trimmed(buffer), ' '); if (counts.size() < 5) { appendError("Error parsing V3000 counts line."); return false; } bool ok(false); int numAtoms(lexicalCast(counts[3], ok)); if (!ok) { appendError("Error parsing number of atoms."); return false; } int numBonds(lexicalCast(counts[4], ok)); if (!ok) { appendError("Error parsing number of bonds."); return false; } // Parse the atom block. // 'M V30 BEGIN ATOM' // 'M V30 1 N 171.646 251.874 224.877 0' getline(in, buffer); if (trimmed(buffer) != "M V30 BEGIN ATOM") { appendError("Error parsing V3000 atom block."); return false; } for (int i = 0; i < numAtoms; ++i) { getline(in, buffer); std::vector atomData = split(trimmed(buffer), ' '); if (atomData.size() < 7) { appendError("Error parsing V3000 atom line."); return false; } string element(trimmed(atomData[3])); unsigned char atomicNum = Elements::atomicNumberFromSymbol(element); Atom newAtom = mol.addAtom(atomicNum); Vector3 pos; pos.x() = lexicalCast(atomData[4], ok); if (!ok) { appendError("Failed to parse x coordinate: " + atomData[3]); return false; } pos.y() = lexicalCast(atomData[5], ok); if (!ok) { appendError("Failed to parse y coordinate: " + atomData[4]); return false; } pos.z() = lexicalCast(atomData[6], ok); if (!ok) { appendError("Failed to parse z coordinate: " + atomData[5]); return false; } newAtom.setPosition3d(pos); // check for formal charge in the atom block // CHG=1 for example if (atomData.size() > 8) { // loop through the key=value pairs for (size_t j = 8; j < atomData.size(); ++j) { string key = atomData[j]; if (startsWith(key, "CHG=")) { int charge = lexicalCast(key.substr(4), ok); if (!ok) { appendError("Failed to parse atom charge: " + key); return false; } newAtom.setFormalCharge(charge); } else if (startsWith(key, "RAD=")) { // radical center int radical = lexicalCast(key.substr(4), ok); if (!ok) { appendError("Failed to parse radical type: " + key); return false; } // we don't set radical centers, just count them // for the total spin multiplicity if (radical == 2) // doublet spinMultiplicity += 1; else if (radical == 3) // triplet spinMultiplicity += 2; } else if (startsWith(key, "ISO=")) { // isotope int isotope = lexicalCast(key.substr(4), ok); if (!ok) { appendError("Failed to parse isotope type: " + key); return false; } // TODO: handle isotopes // mol.atom(i).setIsotope(isotope); } } // end of key-value loop } } // end of atom block getline(in, buffer); // check for END ATOM if (trimmed(buffer) != "M V30 END ATOM") { appendError("Error parsing V3000 atom block."); return false; } // bond block // 'M V30 BEGIN BOND' // 'M V30 1 1 1 2' getline(in, buffer); if (trimmed(buffer) != "M V30 BEGIN BOND") { appendError("Error parsing V3000 bond block."); return false; } for (int i = 0; i < numBonds; ++i) { getline(in, buffer); std::vector bondData = split(trimmed(buffer), ' '); if (bondData.size() < 5) { appendError("Error parsing V3000 bond line."); return false; } int order = lexicalCast(bondData[3], ok); if (!ok) { appendError("Failed to parse bond order: " + bondData[3]); return false; } int atom1 = lexicalCast(bondData[4], ok) - 1; if (!ok) { appendError("Failed to parse bond atom1: " + bondData[4]); return false; } int atom2 = lexicalCast(bondData[5], ok) - 1; if (!ok) { appendError("Failed to parse bond atom2: " + bondData[5]); return false; } mol.addBond(mol.atom(atom1), mol.atom(atom2), static_cast(order)); } // end of bond block // look for M END while (getline(in, buffer)) { if (trimmed(buffer) == "M END") break; } // read in any properties while (getline(in, buffer)) { if (startsWith(buffer, "> <")) { string key = trimmed(buffer.substr(3, buffer.length() - 4)); string value; while (getline(in, buffer)) { if (trimmed(buffer) == "") break; value += buffer + "\n"; } mol.setData(key, value); } } // if we have a spin multiplicity, set it if (spinMultiplicity > 1) mol.setData("totalSpinMultiplicity", spinMultiplicity); return true; } bool MdlFormat::writeV3000(std::ostream& out, const Core::Molecule& mol) { // write the "fake" counts line out << " 0 0 0 0 0 999 V3000\n"; out << "M V30 BEGIN CTAB\n"; out << "M V30 COUNTS " << mol.atomCount() << ' ' << mol.bondCount() << " 0 0 0\n"; // atom block out << "M V30 BEGIN ATOM\n"; for (size_t i = 0; i < mol.atomCount(); ++i) { Atom atom = mol.atom(i); out << "M V30 " << i + 1 << ' ' << Elements::symbol(atom.atomicNumber()) << ' ' << atom.position3d().x() << ' ' << atom.position3d().y() << ' ' << atom.position3d().z() << " 0"; if (atom.formalCharge()) out << " CHG=" << atom.formalCharge(); out << "\n"; } out << "M V30 END ATOM\n"; // bond block out << "M V30 BEGIN BOND\n"; for (size_t i = 0; i < mol.bondCount(); ++i) { Bond bond = mol.bond(i); out << "M V30 " << i + 1 << ' ' << static_cast(bond.order()) << ' ' << (bond.atom1().index() + 1) << ' ' << (bond.atom2().index() + 1) << " \n"; } out << "M V30 END BOND\n"; out << "M V30 END CTAB\n"; out << "M END\n"; // TODO: isotopes, radicals, etc. if (m_writeProperties) { const auto dataMap = mol.dataMap(); for (const auto& key : dataMap.names()) { out << "> <" << key << ">\n"; out << dataMap.value(key).toString() << "\n"; out << "\n"; // empty line between data blocks } } if (m_writeProperties || isMode(FileFormat::MultiMolecule)) out << "$$$$\n"; return true; } bool MdlFormat::write(std::ostream& out, const Core::Molecule& mol) { // Header lines. out << mol.data("name").toString() << "\n Avogadro\n\n"; // Counts line. if (mol.atomCount() > 999 || mol.bondCount() > 999) { // we need V3000 support for big molecules return writeV3000(out, mol); } out << setw(3) << std::right << mol.atomCount() << setw(3) << mol.bondCount() << " 0 0 0 0 0 0 0 0999 V2000\n"; // Atom block. std::vector chargeList; for (size_t i = 0; i < mol.atomCount(); ++i) { Atom atom = mol.atom(i); signed int charge = atom.formalCharge(); if (charge) chargeList.emplace_back(atom.index(), charge); unsigned int chargeField = (charge < 0) ? ((charge >= -3) ? 4 - charge : 0) : ((charge <= 3) ? charge : 0); out << setw(10) << std::right << std::fixed << setprecision(4) << atom.position3d().x() << setw(10) << atom.position3d().y() << setw(10) << atom.position3d().z() << ' ' << setw(3) << std::left << Elements::symbol(atom.atomicNumber()) << " 0" << setw(3) << std::right << chargeField /* for compatibility */ << " 0 0 0 0 0 0 0 0 0 0\n"; } // Bond block. for (size_t i = 0; i < mol.bondCount(); ++i) { Bond bond = mol.bond(i); out.unsetf(std::ios::floatfield); out << setw(3) << std::right << bond.atom1().index() + 1 << setw(3) << bond.atom2().index() + 1 << setw(3) << static_cast(bond.order()) << " 0 0 0 0\n"; } // Properties block. for (auto& i : chargeList) { Index atomIndex = i.first; signed int atomCharge = i.second; out << "M CHG 1 " << setw(3) << std::right << atomIndex + 1 << ' ' << setw(3) << atomCharge << "\n"; } // TODO: isotopes, etc. out << "M END\n"; // Data block if (m_writeProperties) { const auto dataMap = mol.dataMap(); for (const auto& key : dataMap.names()) { out << "> <" << key << ">\n"; out << dataMap.value(key).toString() << "\n"; out << "\n"; // empty line between data blocks } } if (m_writeProperties || isMode(FileFormat::MultiMolecule)) out << "$$$$\n"; return true; } std::vector MdlFormat::fileExtensions() const { std::vector ext; ext.emplace_back("mol"); return ext; } std::vector MdlFormat::mimeTypes() const { std::vector mime; mime.emplace_back("chemical/x-mdl-molfile"); return mime; } } // namespace Avogadro::Io avogadrolibs-1.100.0/avogadro/io/mdlformat.h000066400000000000000000000037651474375334400207250ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_MDLFORMAT_H #define AVOGADRO_IO_MDLFORMAT_H #include "fileformat.h" namespace Avogadro::Io { /** * @class MdlFormat mdlformat.h * @brief Implementation of the generic MDL format. * @author Marcus D. Hanwell * * Currently just supports V2000 of the format. */ class AVOGADROIO_EXPORT MdlFormat : public FileFormat { public: MdlFormat() = default; ~MdlFormat() override = default; Operations supportedOperations() const override { return ReadWrite | MultiMolecule | File | Stream | String; } FileFormat* newInstance() const override { return new MdlFormat; } std::string identifier() const override { return "Avogadro: MDL"; } std::string name() const override { return "MDL"; } std::string description() const override { return "Generic format that contains atoms, bonds, positions."; } std::string specificationUrl() const override { return "http://help.accelrysonline.com/ulm/onelab/1.0/content/ulm_pdfs/" "direct/" "reference/ctfileformats2016.pdf"; /* for previous (2011) version, see: https://web.archive.org/web/20180329184712/http://download.accelrys.com/freeware/ctfile-formats/ctfile-formats.zip */ } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& in, Core::Molecule& molecule) override; bool readV3000(std::istream& in, Core::Molecule& molecule); bool write(std::ostream& out, const Core::Molecule& molecule) override; bool writeV3000(std::ostream& out, const Core::Molecule& molecule); protected: bool m_writeProperties = false; }; } // namespace Avogadro::Io #endif // AVOGADRO_IO_MDLFORMAT_H avogadrolibs-1.100.0/avogadro/io/mmtfformat.cpp000066400000000000000000000200041474375334400214300ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "mmtfformat.h" #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::Io { using std::string; using std::vector; using Core::Array; using Core::Elements; using Core::lexicalCast; using Core::Molecule; namespace { // from latest MMTF code, under the MIT license // https://github.com/rcsb/mmtf-cpp/blob/master/include/mmtf/structure_data.hpp #if MMTF_SPEC_VERSION_MAJOR <= 1 && MMTF_SPEC_VERSION_MINOR < 1 bool is_polymer(const unsigned int chain_index, const std::vector& entity_list) { for (const auto & i : entity_list) { if (std::find(i.chainIndexList.begin(), i.chainIndexList.end(), chain_index) != i.chainIndexList.end()) { return (i.type == "polymer" || i.type == "POLYMER"); } } return false; } #endif } // namespace bool MMTFFormat::read(std::istream& file, Molecule& molecule) { mmtf::StructureData structure; try { mmtf::decodeFromStream(structure, file); } catch (...) { // if decoding failed, the file is broken return false; } // This controls which model we load, currently just the first? size_t modelIndex = 0; size_t atomSkip = 0; size_t chainIndex = 0; size_t groupIndex = 0; size_t atomIndex = 0; molecule.setData("name", structure.title); if (structure.unitCell.size() == 6) { Real a = static_cast(structure.unitCell[0]); Real b = static_cast(structure.unitCell[1]); Real c = static_cast(structure.unitCell[2]); Real alpha = static_cast(structure.unitCell[3]) * DEG_TO_RAD; Real beta = static_cast(structure.unitCell[4]) * DEG_TO_RAD; Real gamma = static_cast(structure.unitCell[5]) * DEG_TO_RAD; auto* unitCellObject = new Core::UnitCell(a, b, c, alpha, beta, gamma); molecule.setUnitCell(unitCellObject); } // spaceGroup if (structure.spaceGroup.size() > 0) { unsigned short hall = 0; hall = Core::SpaceGroups::hallNumber(structure.spaceGroup); if (hall != 0) { molecule.setHallNumber(hall); } } auto modelChainCount = static_cast(structure.chainsPerModel[modelIndex]); auto entityList = structure.entityList; auto secStructList = structure.secStructList; Array rawToAtomId; Array altAtomIds; Array altAtomCoordSets; Array altAtomLocs; std::set altLocs; Array altAtomPositions; for (Index j = 0; j < modelChainCount; j++) { auto chainGroupCount = static_cast(structure.groupsPerChain[chainIndex]); bool ok; std::string chainid_string = structure.chainIdList[chainIndex]; char chainid = lexicalCast(chainid_string.substr(0, 1), ok); bool isPolymer = is_polymer(chainIndex, entityList); // A group is like a residue or other molecule in a PDB file. for (size_t k = 0; k < chainGroupCount; k++) { auto groupType = static_cast(structure.groupTypeList[groupIndex]); const auto& group = structure.groupList[groupType]; auto groupId = static_cast(structure.groupIdList[groupIndex]); auto resname = group.groupName; auto& residue = molecule.addResidue(resname, groupId, chainid); // Stores if the group / residue is a heterogen // if (!isPolymer || mmtf::is_hetatm(group.chemCompType.c_str())) residue.setHeterogen(true); // Unfortunately, while the spec says secondary structure // is (optionally) in groups, the code doesn't make it available. // group.secStruct is a binary type // https://github.com/rcsb/mmtf/blob/master/spec.md#secstructlist // 0 = pi helix, 1 = bend, 2 = alpha helix, 3 = extended beta, 4 = 3-10 // helix, etc. // residue.setSecondaryStructure(group.secStruct); // // instead, we'll get it from secStructList auto secStructure = structure.secStructList[groupIndex]; residue.setSecondaryStructure( static_cast(secStructure)); // Save the offset before we go changing it Index atomOffset = atomIndex - atomSkip; Index groupSize = group.atomNameList.size(); for (Index l = 0; l < groupSize; l++) { Vector3 pos(static_cast(structure.xCoordList[atomIndex]), static_cast(structure.yCoordList[atomIndex]), static_cast(structure.zCoordList[atomIndex])); if (structure.altLocList[atomIndex] != '\0' && structure.altLocList[atomIndex] != 'A') { rawToAtomId.push_back(-1); altAtomIds.push_back(molecule.atomCount() - 1); altAtomLocs.push_back(structure.altLocList[atomIndex]); altLocs.insert(structure.altLocList[atomIndex]); altAtomPositions.push_back(pos); atomIndex++; continue; } auto atom = molecule.addAtom( Elements::atomicNumberFromSymbol(group.elementList[l])); atom.setFormalCharge(group.formalChargeList[l]); atom.setPosition3d(pos); std::string atomName = group.atomNameList[l]; residue.addResidueAtom(atomName, atom); rawToAtomId.push_back(molecule.atomCount() - 1); atomIndex++; } // Intra-residue bonds for (size_t l = 0; l < group.bondOrderList.size(); l++) { auto atom1 = static_cast(rawToAtomId[atomOffset + group.bondAtomList[l * 2]]); auto atom2 = static_cast(rawToAtomId[atomOffset + group.bondAtomList[l * 2 + 1]]); char bo = static_cast(group.bondOrderList[l]); if (atom1 < molecule.atomCount() && atom2 < molecule.atomCount()) molecule.addBond(atom1, atom2, bo); } // This is the original PDB Chain name // if (!structure_.chainNameList.empty()) { // structure.chainNameList[chainIndex_]; //} groupIndex++; } chainIndex++; } // Use this eventually for multi-model formats modelIndex++; // These are for inter-residue bonds for (size_t i = 0; i < structure.bondAtomList.size() / 2; i++) { auto atom1 = static_cast(rawToAtomId[structure.bondAtomList[i * 2]]); auto atom2 = static_cast(rawToAtomId[structure.bondAtomList[i * 2 + 1]]); /* Code for multiple models // We are below the atoms we care about if (atom1 < atomSkip || atom2 < atomSkip) { continue; } // We are above the atoms we care about if (atom1 > atomIndex || atom2 > atomIndex) { continue; } */ if (atom1 < molecule.atomCount() && atom2 < molecule.atomCount()) molecule.addBond(atom1, atom2, 1); // Always a single bond } for (char l: altLocs) { Array coordinateSet = molecule.atomPositions3d(); bool found = false; for (size_t i = 0; i < altAtomLocs.size(); i++) { if (altAtomLocs[i] == l) { found = true; coordinateSet[altAtomIds[i]] = altAtomPositions[i]; } } if (found) { molecule.setCoordinate3d( coordinateSet, molecule.coordinate3dCount() ? molecule.coordinate3dCount() : 1 ); } } return true; } bool MMTFFormat::write(std::ostream&, const Core::Molecule&) { return false; } vector MMTFFormat::fileExtensions() const { vector ext; ext.emplace_back("mmtf"); return ext; } vector MMTFFormat::mimeTypes() const { vector mime; mime.emplace_back("chemical/x-mmtf"); return mime; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/io/mmtfformat.h000066400000000000000000000031651474375334400211060ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_MMTFFORMAT_H #define AVOGADRO_IO_MMTFFORMAT_H #include "fileformat.h" namespace Avogadro { namespace Core { class GaussianSet; } namespace Io { /** * @class MMTFFormat mmtfformat.h * @brief Implementation of the MMTF format. */ class AVOGADROIO_EXPORT MMTFFormat : public FileFormat { public: MMTFFormat() = default; ~MMTFFormat() override = default; Operations supportedOperations() const override { return Read | File | Stream | String; } FileFormat* newInstance() const override { return new MMTFFormat; } std::string identifier() const override { return "Avogadro: MMTF"; } std::string name() const override { return "MacroMolecular Transmission Format"; } std::string description() const override { return "MMTF is a format used to express MacroMolecular data in a " "compressed binary format."; } std::string specificationUrl() const override { return "http://mmtf.rcsb.org/"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& in, Core::Molecule& molecule) override; // unimplemented bool write(std::ostream& out, const Core::Molecule& molecule) override; }; } // namespace Io } // namespace Avogadro #endif // AVOGADRO_IO_MMTFFORMAT_H avogadrolibs-1.100.0/avogadro/io/pdbformat.cpp000066400000000000000000000233011474375334400212350ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "pdbformat.h" #include #include #include #include #include #include #include #include #include #include #include using Avogadro::Core::Array; using Avogadro::Core::Atom; using Avogadro::Core::Elements; using Avogadro::Core::lexicalCast; using Avogadro::Core::Residue; using Avogadro::Core::SecondaryStructureAssigner; using Avogadro::Core::startsWith; using Avogadro::Core::trimmed; using std::getline; using std::istringstream; using std::string; namespace Avogadro::Io { bool PdbFormat::read(std::istream& in, Core::Molecule& mol) { string buffer; std::vector terList; Residue* r = nullptr; size_t currentResidueId = 0; bool ok(false); int coordSet = 0; Array positions; Array rawToAtomId; Array altAtomIds; Array altAtomCoordSets; Array altAtomLocs; std::set altLocs; Array altAtomPositions; while (getline(in, buffer)) { // Read Each line one by one if (startsWith(buffer, "ENDMDL")) { if (coordSet == 0) { mol.setCoordinate3d(mol.atomPositions3d(), coordSet++); positions.reserve(mol.atomCount()); } else { mol.setCoordinate3d(positions, coordSet++); positions.clear(); } } // e.g. CRYST1 4.912 4.912 6.696 90.00 90.00 120.00 P1 1 // https://www.wwpdb.org/documentation/file-format-content/format33/sect8.html else if (startsWith(buffer, "CRYST1")) { // PDB reports in degrees and Angstroms // Avogadro uses radians internally Real a = lexicalCast(buffer.substr(6, 9), ok); Real b = lexicalCast(buffer.substr(15, 9), ok); Real c = lexicalCast(buffer.substr(24, 9), ok); Real alpha = lexicalCast(buffer.substr(33, 7), ok) * DEG_TO_RAD; Real beta = lexicalCast(buffer.substr(40, 7), ok) * DEG_TO_RAD; Real gamma = lexicalCast(buffer.substr(47, 8), ok) * DEG_TO_RAD; auto* cell = new Core::UnitCell(a, b, c, alpha, beta, gamma); mol.setUnitCell(cell); } else if (startsWith(buffer, "ATOM") || startsWith(buffer, "HETATM")) { // First we initialize the residue instance auto residueId = lexicalCast(buffer.substr(22, 4), ok); if (!ok) { appendError("Failed to parse residue sequence number: " + buffer.substr(22, 4)); return false; } if (residueId != currentResidueId) { currentResidueId = residueId; auto residueName = lexicalCast(buffer.substr(17, 3), ok); if (!ok) { appendError("Failed to parse residue name: " + buffer.substr(17, 3)); return false; } char chainId = lexicalCast(buffer.substr(21, 1), ok); if (!ok) { chainId = 'A'; // it's a non-standard "PDB"-like file } r = &mol.addResidue(residueName, currentResidueId, chainId); if (startsWith(buffer, "HETATM")) r->setHeterogen(true); } auto atomName = lexicalCast(buffer.substr(12, 4), ok); if (!ok) { appendError("Failed to parse atom name: " + buffer.substr(12, 4)); return false; } Vector3 pos; // Coordinates pos.x() = lexicalCast(buffer.substr(30, 8), ok); if (!ok) { appendError("Failed to parse x coordinate: " + buffer.substr(30, 8)); return false; } pos.y() = lexicalCast(buffer.substr(38, 8), ok); if (!ok) { appendError("Failed to parse y coordinate: " + buffer.substr(38, 8)); return false; } pos.z() = lexicalCast(buffer.substr(46, 8), ok); if (!ok) { appendError("Failed to parse z coordinate: " + buffer.substr(46, 8)); return false; } auto altLoc = lexicalCast(buffer.substr(16, 1), ok); string element; // Element symbol, right justified unsigned char atomicNum = 255; if (buffer.size() >= 78) { element = buffer.substr(76, 2); element = trimmed(element); if (element.length() == 2) element[1] = std::tolower(element[1]); atomicNum = Elements::atomicNumberFromSymbol(element); if (atomicNum == 255) appendError("Invalid element"); } if (atomicNum == 255) { // non-standard or old-school PDB file - try to parse the atom name element = trimmed(atomName); // remove any trailing digits while (element.size() && std::isdigit(element.back())) element.pop_back(); if (element == "SE") // For Sulphur element = 'S'; atomicNum = Elements::atomicNumberFromSymbol(element); if (atomicNum == 255) { appendError("Invalid element"); continue; // skip this invalid record } } if (altLoc.compare("") && altLoc.compare("A")) { if (coordSet == 0) { rawToAtomId.push_back(-1); altAtomIds.push_back(mol.atomCount() - 1); } else { altAtomIds.push_back(positions.size() - 1); } altAtomCoordSets.push_back(coordSet); altAtomLocs.push_back(altLoc[0]); altLocs.insert(altLoc[0]); altAtomPositions.push_back(pos); } else if (coordSet == 0) { Atom newAtom = mol.addAtom(atomicNum); newAtom.setPosition3d(pos); if (r != nullptr) { r->addResidueAtom(atomName, newAtom); } rawToAtomId.push_back(mol.atomCount() - 1); } else { positions.push_back(pos); } } else if (startsWith(buffer, "TER") && buffer.length() >= 11) { // This is very important, each TER // record also counts in the serial. // Need to account for that when comparing with CONECT terList.push_back(lexicalCast(buffer.substr(6, 5), ok)); if (!ok) { appendError("Failed to parse TER serial"); return false; } } else if (startsWith(buffer, "CONECT")) { int a = lexicalCast(buffer.substr(6, 5), ok); if (!ok) { appendError("Failed to parse bond connection a " + buffer.substr(6, 5)); return false; } --a; size_t terCount; for (terCount = 0; terCount < terList.size() && a > terList[terCount]; ++terCount) ; // semicolon is intentional a = a - terCount; a = rawToAtomId[a]; int bCoords[] = { 11, 16, 21, 26 }; for (int i = 0; i < 4; i++) { if (trimmed(buffer.substr(bCoords[i], 5)) == "") break; else { int b = lexicalCast(buffer.substr(bCoords[i], 5), ok) - 1; if (!ok) { appendError("Failed to parse bond connection b" + std::to_string(i) + " " + buffer.substr(bCoords[i], 5)); // return false; continue; // skip this invalid record } for (terCount = 0; terCount < terList.size() && b > terList[terCount]; ++terCount) ; // semicolon is intentional b = b - terCount; b = rawToAtomId[b]; if (a < b && a >= 0 && b >= 0) { mol.Avogadro::Core::Molecule::addBond(a, b, 1); } } } } } // End while loop int count = mol.coordinate3dCount() ? mol.coordinate3dCount() : 1; for (int c = 0; c < count; ++c) { for (char l : altLocs) { Array coordinateSet = c == 0 ? mol.atomPositions3d() : mol.coordinate3d(c); bool found = false; for (size_t i = 0; i < altAtomCoordSets.size(); ++i) { if (altAtomCoordSets[i] == c && altAtomLocs[i] == l) { found = true; coordinateSet[altAtomIds[i]] = altAtomPositions[i]; } } if (found) mol.setCoordinate3d( coordinateSet, mol.coordinate3dCount() ? mol.coordinate3dCount() : 1); } } mol.perceiveBondsSimple(); mol.perceiveBondsFromResidueData(); perceiveSubstitutedCations(mol); SecondaryStructureAssigner ssa; ssa.assign(&mol); return true; } // End read std::vector PdbFormat::fileExtensions() const { std::vector ext; ext.emplace_back("pdb"); ext.emplace_back("ent"); return ext; } std::vector PdbFormat::mimeTypes() const { std::vector mime; mime.emplace_back("chemical/x-pdb"); return mime; } void PdbFormat::perceiveSubstitutedCations(Core::Molecule& molecule) { for (Index i = 0; i < molecule.atomCount(); i++) { unsigned char requiredBondCount(0); switch (molecule.atomicNumber(i)) { case 7: case 15: case 33: case 51: requiredBondCount = 4; break; case 8: case 16: case 34: case 52: requiredBondCount = 3; } if (!requiredBondCount) continue; unsigned char bondCount(0); Index j = 0; for (const auto& bond : molecule.bonds(i)) { unsigned char otherAtomicNumber(0); otherAtomicNumber = molecule.atomicNumber(bond.getOtherAtom(i).index()); bondCount += bond.order(); if (otherAtomicNumber && otherAtomicNumber != 6) { bondCount = 0; break; } j++; } if (bondCount == requiredBondCount) { molecule.setFormalCharge(i, 1); } } } } // namespace Avogadro::Io avogadrolibs-1.100.0/avogadro/io/pdbformat.h000066400000000000000000000032761474375334400207130ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_PDBFORMAT_H #define AVOGADRO_IO_PDBFORMAT_H #include "fileformat.h" namespace Avogadro::Io { /** * @class PdbFormat pdbformat.h * @brief Parser for the PDB format. * @author Tanuj Kumar */ class AVOGADROIO_EXPORT PdbFormat : public FileFormat { public: PdbFormat() = default; ~PdbFormat() override = default; Operations supportedOperations() const override { return Read | File | Stream | String; } FileFormat* newInstance() const override { return new PdbFormat; } std::string identifier() const override { return "Avogadro: PDB"; } std::string name() const override { return "PDB"; } std::string description() const override { return "Format that contains atoms, bonds, positions and secondary" "structures of proteins."; } std::string specificationUrl() const override { return "http://www.wwpdb.org/documentation/file-format-content/" "format33/v3.3.html"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& in, Core::Molecule& molecule) override; bool write(std::ostream&, const Core::Molecule&) override { // Writing a PDB file is not currently supported return false; } void perceiveSubstitutedCations(Core::Molecule& molecule); }; } // namespace Avogadro::Io #endif // AVOGADRO_IO_PDBFORMAT_H avogadrolibs-1.100.0/avogadro/io/sdfformat.cpp000066400000000000000000000017451474375334400212540ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "sdfformat.h" namespace Avogadro::Io { SdfFormat::SdfFormat() : MdlFormat() { m_writeProperties = true; } SdfFormat::~SdfFormat() {} bool SdfFormat::read(std::istream& in, Core::Molecule& mol) { return MdlFormat::read(in, mol); } bool SdfFormat::write(std::ostream& out, const Core::Molecule& mol) { return MdlFormat::write(out, mol); } std::vector SdfFormat::fileExtensions() const { std::vector ext; ext.emplace_back("sdf"); ext.emplace_back("sd3"); return ext; } std::vector SdfFormat::mimeTypes() const { std::vector mime; mime.emplace_back("chemical/x-mdl-molfile"); return mime; } } // namespace Avogadro::Io avogadrolibs-1.100.0/avogadro/io/sdfformat.h000066400000000000000000000036451474375334400207220ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_SDFFORMAT_H #define AVOGADRO_IO_SDFFORMAT_H #include "fileformat.h" #include "mdlformat.h" namespace Avogadro { namespace Io { /** * @class SdfFormat sdfformat.h * @brief Implementation of the generic SDF format. * @author Marcus D. Hanwell * * Differs from the MDL / Mol format in that it includes properties * * Currently just supports V2000 of the format. */ class AVOGADROIO_EXPORT SdfFormat : public MdlFormat { public: SdfFormat(); ~SdfFormat() override; Operations supportedOperations() const override { return ReadWrite | MultiMolecule | File | Stream | String; } FileFormat* newInstance() const override { return new SdfFormat; } std::string identifier() const override { return "Avogadro: SDF"; } std::string name() const override { return "SDF"; } std::string description() const override { return "Generic format that contains atoms, bonds, positions."; } std::string specificationUrl() const override { return "http://help.accelrysonline.com/ulm/onelab/1.0/content/ulm_pdfs/" "direct/" "reference/ctfileformats2016.pdf"; /* for previous (2011) version, see: https://web.archive.org/web/20180329184712/http://download.accelrys.com/freeware/ctfile-formats/ctfile-formats.zip */ } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& in, Core::Molecule& molecule) override; bool write(std::ostream& out, const Core::Molecule& molecule) override; }; } // namespace Io } // namespace Avogadro #endif // AVOGADRO_IO_MDLFORMAT_H avogadrolibs-1.100.0/avogadro/io/trrformat.cpp000066400000000000000000000353231474375334400213060ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "trrformat.h" #include "struct.h" #include #include #include #include #include #include #include #include using std::map; using std::pair; using std::string; using std::to_string; namespace Avogadro::Io { using Core::Array; using Core::Atom; using Core::Molecule; using Core::UnitCell; constexpr int GROMACS_MAGIC = 1993; constexpr int DIM = 3; constexpr float NM_TO_ANGSTROM = 10.0; string TRRVERSION = "GMX_trn_file"; string HEADITEMS[] = { "ir_size", "e_size", "box_size", "vir_size", "pres_size", "top_size", "sym_size", "x_size", "v_size", "f_size", "natoms", "step", "nre", "time", "lambda" }; int swapInteger(int inp) { return (((inp << 24) & 0xff000000) | ((inp << 8) & 0x00ff0000) | ((inp >> 8) & 0x0000ff00) | ((inp >> 24) & 0x000000ff)); } char swapEndian(char endian) { if (endian == '>') return '<'; else return '>'; } /* Checks whether the data stored in the binary file is of float or double type */ int isDouble(map& header) { int SIZE_DOUBLE = struct_calcsize("d"); int size = 0; string headerKeys[] = { "box_size", "x_size", "v_size", "f_size" }; for (auto & headerKey : headerKeys) { if (header[headerKey] != 0) { if (headerKey == "box_size") { size = (int)(header[headerKey] / DIM * DIM); break; } else { size = (int)(header[headerKey] / (header["natoms"] * DIM)); break; } } } return size == SIZE_DOUBLE; } bool TrrFormat::read(std::istream& inStream, Core::Molecule& mol) { bool doubleStatus; char endian = '>', buff[BUFSIZ], fmt[BUFSIZ], raw[1000]; int magic, natoms, slen0, slen1, headval[13]; string subs, keyCheck[] = { "box_size", "vir_size", "pres_size" }, keyCheck2[] = { "x_size", "v_size", "f_size" }; map header; // Determining size of file inStream.seekg(0, inStream.end); int fileLen = inStream.tellg(); inStream.seekg(0, inStream.beg); // Binary file must start with 1993 snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &magic); if (magic != GROMACS_MAGIC) { // Endian conversion magic = swapInteger(magic); endian = swapEndian(endian); if (magic != GROMACS_MAGIC) { appendError("Frame does not start with magic number 1993."); return false; } } snprintf(fmt, sizeof(fmt), "%c2i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &slen0, &slen1); // Reading trajectory version string snprintf(fmt, sizeof(fmt), "%c%ds", endian, slen0 - 1); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, raw); subs = string(raw).substr(0, 12); if (subs != TRRVERSION) { appendError("Gromacs version string mismatch."); return false; } // "ir_size", "e_size", "box_size", "vir_size", "pres_size", // "top_size", "sym_size", "x_size", "v_size", "f_size", // "natoms", "step", "nre" snprintf(fmt, sizeof(fmt), "%c13i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &headval[0], &headval[1], &headval[2], &headval[3], &headval[4], &headval[5], &headval[6], &headval[7], &headval[8], &headval[9], &headval[10], &headval[11], &headval[12]); for (int i = 0; i < 13; ++i) { header.insert(pair(HEADITEMS[i], headval[i])); } // Reading timestep and lambda doubleStatus = isDouble(header); if (doubleStatus) { double header0, header1; snprintf(fmt, sizeof(fmt), "%c2d", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &header0, &header1); header.insert(pair("time", header0)); header.insert(pair("lambda", header1)); } else { float header0, header1; snprintf(fmt, sizeof(fmt), "%c2f", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &header0, &header1); header.insert(pair("time", header0)); header.insert(pair("lambda", header1)); } // Reading matrices corresponding to "box_size", "vir_size", "pres_size" for (auto & _kid : keyCheck) { if (header[_kid] != 0) { if (doubleStatus) { snprintf(fmt, sizeof(fmt), "%c%dd", endian, DIM * DIM); double mat[DIM][DIM]; inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &mat[0][0], &mat[0][1], &mat[0][2], &mat[1][0], &mat[1][1], &mat[1][2], &mat[2][0], &mat[2][1], &mat[2][2]); if (_kid == "box_size") { mol.setUnitCell(new UnitCell( Vector3(mat[0][0] * NM_TO_ANGSTROM, mat[0][1] * NM_TO_ANGSTROM, mat[0][2] * NM_TO_ANGSTROM), Vector3(mat[1][0] * NM_TO_ANGSTROM, mat[1][1] * NM_TO_ANGSTROM, mat[1][2] * NM_TO_ANGSTROM), Vector3(mat[2][0] * NM_TO_ANGSTROM, mat[2][1] * NM_TO_ANGSTROM, mat[2][2] * NM_TO_ANGSTROM))); } } else { snprintf(fmt, sizeof(fmt), "%c%df", endian, DIM * DIM); float mat[DIM][DIM]; inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &mat[0][0], &mat[0][1], &mat[0][2], &mat[1][0], &mat[1][1], &mat[1][2], &mat[2][0], &mat[2][1], &mat[2][2]); if (_kid == "box_size") { mol.setUnitCell(new UnitCell( Vector3(mat[0][0] * NM_TO_ANGSTROM, mat[0][1] * NM_TO_ANGSTROM, mat[0][2] * NM_TO_ANGSTROM), Vector3(mat[1][0] * NM_TO_ANGSTROM, mat[1][1] * NM_TO_ANGSTROM, mat[1][2] * NM_TO_ANGSTROM), Vector3(mat[2][0] * NM_TO_ANGSTROM, mat[2][1] * NM_TO_ANGSTROM, mat[2][2] * NM_TO_ANGSTROM))); } } } } using AtomTypeMap = map; AtomTypeMap atomTypes; unsigned char customElementCounter = CustomElementMin; // Reading the coordinates of positions, velocities and forces for (auto & _kid : keyCheck2) { natoms = header["natoms"]; double coordsDouble[DIM]; float coordsFloat[DIM]; for (int i = 0; i < natoms; ++i) { if (header[_kid] != 0) { memset(coordsDouble, 0, sizeof(coordsDouble)); memset(coordsFloat, 0, sizeof(coordsFloat)); if (doubleStatus) { snprintf(fmt, sizeof(fmt), "%c%dd", endian, DIM); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &coordsDouble[0], &coordsDouble[1], &coordsDouble[2]); } else { snprintf(fmt, sizeof(fmt), "%c%df", endian, DIM); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &coordsFloat[0], &coordsFloat[1], &coordsFloat[2]); } if (_kid == "x_size") { // If parsed coordinates are fractional, the corresponding unscaling // is done. Else the positions are assigned as parsed. Vector3 pos( coordsDouble[0] * NM_TO_ANGSTROM + coordsFloat[0] * NM_TO_ANGSTROM, coordsDouble[1] * NM_TO_ANGSTROM + coordsFloat[1] * NM_TO_ANGSTROM, coordsDouble[2] * NM_TO_ANGSTROM + coordsFloat[2] * NM_TO_ANGSTROM); AtomTypeMap::const_iterator it; // if (it == atomTypes.end()) { atomTypes.insert( std::make_pair(to_string(i), customElementCounter++)); it = atomTypes.find(to_string(i)); // if (customElementCounter > CustomElementMax) { // appendError("Custom element type limit exceeded."); // return false; // } Atom newAtom = mol.addAtom(it->second); newAtom.setPosition3d(pos); } } } // Set the custom element map if needed if (!atomTypes.empty()) { Molecule::CustomElementMap elementMap; for (const auto & atomType : atomTypes) { elementMap.insert(std::make_pair(atomType.second, "Atom " + atomType.first)); } mol.setCustomElementMap(elementMap); } } mol.setCoordinate3d(mol.atomPositions3d(), 0); // Do we have an animation? // EOF check int coordSet = 1; while (static_cast(inStream.tellg()) != fileLen) { // Binary header must start with 1993 snprintf(fmt, sizeof(fmt), "%c1i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &magic); if (magic != GROMACS_MAGIC) { // Endian conversion magic = swapInteger(magic); endian = swapEndian(endian); if (magic != GROMACS_MAGIC) { appendError("Frame does not start with magic number 1993."); return false; } } snprintf(fmt, sizeof(fmt), "%c2i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &slen0, &slen1); // Reading trajectory version string snprintf(fmt, sizeof(fmt), "%c%ds", endian, slen0 - 1); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, raw); subs = string(raw).substr(0, 12); if (subs != TRRVERSION) { appendError("Gromacs version string mismatch."); return false; } // "ir_size", "e_size", "box_size", "vir_size", "pres_size", // "top_size", "sym_size", "x_size", "v_size", "f_size", // "natoms", "step", "nre" snprintf(fmt, sizeof(fmt), "%c13i", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &headval[0], &headval[1], &headval[2], &headval[3], &headval[4], &headval[5], &headval[6], &headval[7], &headval[8], &headval[9], &headval[10], &headval[11], &headval[12]); for (int i = 0; i < 13; ++i) { header.insert(pair(HEADITEMS[i], headval[i])); } // Reading timestep and lambda doubleStatus = isDouble(header); if (doubleStatus) { double header0, header1; snprintf(fmt, sizeof(fmt), "%c2d", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &header0, &header1); header.insert(pair("time", header0)); header.insert(pair("lambda", header1)); } else { float header0, header1; snprintf(fmt, sizeof(fmt), "%c2f", endian); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &header0, &header1); header.insert(pair("time", header0)); header.insert(pair("lambda", header1)); } // Reading matrices corresponding to "box_size", "vir_size", "pres_size" for (auto & _kid : keyCheck) { if (header[_kid] != 0) { natoms = header["natoms"]; if (doubleStatus) { snprintf(fmt, sizeof(fmt), "%c%dd", endian, DIM * DIM); double mat[DIM][DIM]; inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &mat[0][0], &mat[0][1], &mat[0][2], &mat[1][0], &mat[1][1], &mat[1][2], &mat[2][0], &mat[2][1], &mat[2][2]); if (_kid == "box_size") { mol.setUnitCell(new UnitCell( Vector3(mat[0][0] * NM_TO_ANGSTROM, mat[0][1] * NM_TO_ANGSTROM, mat[0][2] * NM_TO_ANGSTROM), Vector3(mat[1][0] * NM_TO_ANGSTROM, mat[1][1] * NM_TO_ANGSTROM, mat[1][2] * NM_TO_ANGSTROM), Vector3(mat[2][0] * NM_TO_ANGSTROM, mat[2][1] * NM_TO_ANGSTROM, mat[2][2] * NM_TO_ANGSTROM))); } } else { snprintf(fmt, sizeof(fmt), "%c%df", endian, DIM * DIM); float mat[DIM][DIM]; inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &mat[0][0], &mat[0][1], &mat[0][2], &mat[1][0], &mat[1][1], &mat[1][2], &mat[2][0], &mat[2][1], &mat[2][2]); if (_kid == "box_size") { mol.setUnitCell(new UnitCell( Vector3(mat[0][0] * NM_TO_ANGSTROM, mat[0][1] * NM_TO_ANGSTROM, mat[0][2] * NM_TO_ANGSTROM), Vector3(mat[1][0] * NM_TO_ANGSTROM, mat[1][1] * NM_TO_ANGSTROM, mat[1][2] * NM_TO_ANGSTROM), Vector3(mat[2][0] * NM_TO_ANGSTROM, mat[2][1] * NM_TO_ANGSTROM, mat[2][2] * NM_TO_ANGSTROM))); } } } } natoms = header["natoms"]; Array positions; positions.reserve(natoms); // Reading the coordinates of positions, velocities and forces for (auto & _kid : keyCheck2) { double coordsDouble[DIM]; float coordsFloat[DIM]; for (int i = 0; i < natoms; ++i) { if (header[_kid] != 0) { memset(coordsDouble, 0, sizeof(coordsDouble)); memset(coordsFloat, 0, sizeof(coordsFloat)); if (doubleStatus) { snprintf(fmt, sizeof(fmt), "%c%dd", endian, DIM); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &coordsDouble[0], &coordsDouble[1], &coordsDouble[2]); } else { snprintf(fmt, sizeof(fmt), "%c%df", endian, DIM); inStream.read(buff, struct_calcsize(fmt)); struct_unpack(buff, fmt, &coordsFloat[0], &coordsFloat[1], &coordsFloat[2]); } if (_kid == "x_size") { // If parsed coordinates are fractional, the corresponding unscaling // is done. Else the positions are assigned as parsed. Vector3 pos(coordsDouble[0] * NM_TO_ANGSTROM + coordsFloat[0] * NM_TO_ANGSTROM, coordsDouble[1] * NM_TO_ANGSTROM + coordsFloat[1] * NM_TO_ANGSTROM, coordsDouble[2] * NM_TO_ANGSTROM + coordsFloat[2] * NM_TO_ANGSTROM); positions.push_back(pos); } } } } mol.setCoordinate3d(positions, coordSet++); positions.clear(); } return true; } bool TrrFormat::write(std::ostream&, const Core::Molecule&) { return false; } std::vector TrrFormat::fileExtensions() const { std::vector ext; ext.emplace_back("trr"); return ext; } std::vector TrrFormat::mimeTypes() const { std::vector mime; mime.emplace_back("application/octet-stream"); return mime; } } // end Avogadro namespace avogadrolibs-1.100.0/avogadro/io/trrformat.h000066400000000000000000000030541474375334400207470ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_TRRFORMAT_H #define AVOGADRO_IO_TRRFORMAT_H #include "fileformat.h" namespace Avogadro::Io { /** * @class TrrFormat trrformat.h * @brief Implementation of the generic trr trajectory format. * @author Adarsh B */ class AVOGADROIO_EXPORT TrrFormat : public FileFormat { public: TrrFormat() = default; ~TrrFormat() override = default; Operations supportedOperations() const override { return ReadWrite | MultiMolecule | File | Stream | String; } FileFormat* newInstance() const override { return new TrrFormat; } std::string identifier() const override { return "Avogadro: GROMACS TRR"; } std::string name() const override { return "TRR"; } std::string description() const override { return "Generic TRR Trajectory format."; } std::string specificationUrl() const override { return "http://manual.gromacs.org/current/online/trr.html"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& inStream, Core::Molecule& molecule) override; // uninplemented bool write(std::ostream& outStream, const Core::Molecule& molecule) override; }; } // namespace Avogadro::Io #endif // AVOGADRO_IO_TRRFORMAT_H avogadrolibs-1.100.0/avogadro/io/turbomoleformat.cpp000066400000000000000000000170051474375334400225040ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "turbomoleformat.h" #include #include #include #include #include #include #include #include #include #include using json = nlohmann::json; using std::getline; using std::string; namespace Avogadro::Io { using Core::Atom; using Core::Elements; using Core::lexicalCast; using Core::split; #ifndef _WIN32 using std::isalpha; #endif bool TurbomoleFormat::read(std::istream& inStream, Core::Molecule& mol) { json opts; if (!options().empty()) opts = json::parse(options(), nullptr, false); else opts = json::object(); bool hasCell = false; bool hasLattice = false; bool fractionalCoords = false; // possible lattice constants Real a, b, c, alpha, beta, gamma; a = b = c = 100.0; alpha = beta = gamma = 90.0; // defaults if periodicity is not 3 Vector3 v1(100.0, 0.0, 0.0); Vector3 v2(0.0, 100.0, 0.0); Vector3 v3(0.0, 0.0, 100.0); // we loop through each line until we hit $end or EOF string buffer; getline(inStream, buffer); while (inStream.good() && !buffer.empty()) { if (buffer.find("$end") != std::string::npos) break; else if (buffer.find("$coord") != std::string::npos) { // check if there's a conversion to be done Real coordConversion = BOHR_TO_ANGSTROM; // default is Bohr if (buffer.find("ang") != std::string::npos) coordConversion = 1.0; // leave as Angstrom else if (buffer.find("frac") != std::string::npos) { fractionalCoords = true; coordConversion = 1.0; // we may not know the lattice constants yet } getline(inStream, buffer); while (buffer.find("$") == std::string::npos) { // parse atoms until we see another '$' section // e.g. 0.0000 0.000000 -0.73578 o std::vector tokens(split(buffer, ' ')); if (tokens.size() < 4) { appendError("Not enough tokens in this line: " + buffer); return false; } unsigned char atomicNum(0); if (isalpha(tokens[3][0])) { tokens[3][0] = toupper(tokens[3][0]); atomicNum = Elements::atomicNumberFromSymbol(tokens[3]); } else atomicNum = static_cast(lexicalCast(tokens[3])); Vector3 pos(lexicalCast(tokens[0]), lexicalCast(tokens[1]), lexicalCast(tokens[2])); Atom newAtom = mol.addAtom(atomicNum); newAtom.setPosition3d(pos * coordConversion); // next line getline(inStream, buffer); } } else if (buffer.find("$cell") != std::string::npos) { hasCell = true; Real cellConversion = BOHR_TO_ANGSTROM; if (buffer.find("ang") != std::string::npos) cellConversion = 1.0; // leave as Angstrom getline(inStream, buffer); std::vector tokens(split(buffer, ' ')); if (tokens.size() < 6) { appendError("Not enough tokens in this line: " + buffer); return false; } a = lexicalCast(tokens[0]) * cellConversion; b = lexicalCast(tokens[1]) * cellConversion; c = lexicalCast(tokens[2]) * cellConversion; alpha = lexicalCast(tokens[3]) * DEG_TO_RAD; beta = lexicalCast(tokens[4]) * DEG_TO_RAD; gamma = lexicalCast(tokens[5]) * DEG_TO_RAD; } else if (buffer.find("$lattice") != std::string::npos) { hasLattice = true; Real latticeConversion = BOHR_TO_ANGSTROM; // default if (buffer.find("ang") != std::string::npos) latticeConversion = 1.0; // leave as Angstrom for (int line = 0; line < 3; ++line) { getline(inStream, buffer); std::vector tokens(split(buffer, ' ')); if (tokens.size() < 3) break; if (line == 0) { v1.x() = lexicalCast(tokens[0]) * latticeConversion; v1.y() = lexicalCast(tokens[1]) * latticeConversion; v1.z() = lexicalCast(tokens[2]) * latticeConversion; } else if (line == 1) { v2.x() = lexicalCast(tokens[0]) * latticeConversion; v2.y() = lexicalCast(tokens[1]) * latticeConversion; v2.z() = lexicalCast(tokens[2]) * latticeConversion; } else if (line == 2) { v3.x() = lexicalCast(tokens[0]) * latticeConversion; v3.y() = lexicalCast(tokens[1]) * latticeConversion; v3.z() = lexicalCast(tokens[2]) * latticeConversion; } } } getline(inStream, buffer); } // done reading the file if (hasLattice) { auto* cell = new Core::UnitCell(v1, v2, v3); mol.setUnitCell(cell); } else if (hasCell) { auto* cell = new Core::UnitCell(a, b, c, alpha, beta, gamma); mol.setUnitCell(cell); } // if we have fractional coordinates, we need to convert them to cartesian if (fractionalCoords) { auto* cell = mol.unitCell(); for (Index i = 0; i < mol.atomCount(); ++i) { mol.setAtomPosition3d(i, cell->toCartesian(mol.atomPosition3d(i))); } } // This format has no connectivity information, so perceive basics at least. if (opts.value("perceiveBonds", true)) { mol.perceiveBondsSimple(); mol.perceiveBondOrders(); } return true; } bool TurbomoleFormat::write(std::ostream& outStream, const Core::Molecule& mol) { size_t numAtoms = mol.atomCount(); outStream << "$coord angs\n"; for (size_t i = 0; i < numAtoms; ++i) { Atom atom = mol.atom(i); if (!atom.isValid()) { appendError("Internal error: Atom invalid."); return false; } std::string symbol = Elements::symbol(atom.atomicNumber()); symbol[0] = tolower(symbol[0]); outStream << " " << std::setw(18) << std::right << std::fixed << std::setprecision(10) << atom.position3d().x() << " " << std::setw(18) << std::right << std::fixed << std::setprecision(10) << atom.position3d().y() << " " << std::setw(18) << std::right << std::fixed << std::setprecision(10) << atom.position3d().z() << " " << std::setw(5) << std::right << symbol << "\n"; } if (mol.unitCell()) { outStream << "$periodic 3\n"; outStream << "$lattice angs\n"; outStream << mol.unitCell()->aVector().x() << ' '; outStream << mol.unitCell()->aVector().y() << ' '; outStream << mol.unitCell()->aVector().z() << '\n'; outStream << mol.unitCell()->bVector().x() << ' '; outStream << mol.unitCell()->bVector().y() << ' '; outStream << mol.unitCell()->bVector().z() << '\n'; outStream << mol.unitCell()->cVector().x() << ' '; outStream << mol.unitCell()->cVector().y() << ' '; outStream << mol.unitCell()->cVector().z() << '\n'; } outStream << "$end\n"; return true; } std::vector TurbomoleFormat::fileExtensions() const { std::vector ext; ext.emplace_back("coord"); return ext; } std::vector TurbomoleFormat::mimeTypes() const { std::vector mime; mime.emplace_back("chemical/x-turbomole"); return mime; } } // namespace Avogadro::Io avogadrolibs-1.100.0/avogadro/io/turbomoleformat.h000066400000000000000000000032221474375334400221450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_TURBOMOLEFORMAT_H #define AVOGADRO_IO_TURBOMOLEFORMAT_H #include "fileformat.h" namespace Avogadro::Io { /** * @class TurbomoleFormat turbomoleformat.h * @brief Implementation of the Turbomole coord format. * @author Geoffrey Hutchison */ class AVOGADROIO_EXPORT TurbomoleFormat : public FileFormat { public: TurbomoleFormat() = default; ~TurbomoleFormat() override = default; Operations supportedOperations() const override { return ReadWrite | File | Stream | String; } FileFormat* newInstance() const override { return new TurbomoleFormat; } std::string identifier() const override { return "Avogadro: Turbomole Coord"; } std::string name() const override { return "Turbomole"; } std::string description() const override { return "Generic format that tabulates atomic symbols and 3D positions."; } std::string specificationUrl() const override { return "https://xtb-docs.readthedocs.io/en/latest/geometry.html#turbomole-coordinate-input"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& inStream, Core::Molecule& molecule) override; bool write(std::ostream& outStream, const Core::Molecule& molecule) override; }; } // namespace Avogadro::Io #endif // AVOGADRO_IO_TURBOMOLEFORMAT_H avogadrolibs-1.100.0/avogadro/io/vaspformat.cpp000066400000000000000000000352421474375334400214500ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "vaspformat.h" #include // for atomicNumberFromSymbol() #include // for matrix3 #include #include #include // for split(), trimmed(), lexicalCast() #include // for Vector3 #include // for std::count() #include #include namespace Avogadro::Io { using std::getline; using std::map; using std::string; using Core::Array; using Core::Atom; using Core::Elements; using Core::lexicalCast; using Core::Molecule; using Core::split; using Core::trimmed; using Core::UnitCell; bool PoscarFormat::read(std::istream& inStream, Core::Molecule& mol) { size_t numLines = std::count(std::istreambuf_iterator(inStream), std::istreambuf_iterator(), '\n'); // There must be at least 7 "\n"'s to have a minimum crystal (including 1 // atom) if (numLines < 7) { appendError("Error: POSCAR file is 7 or fewer lines long"); return false; } // We have to go back to the beginning if we are going to read again inStream.clear(); inStream.seekg(0, std::ios::beg); // We'll use these throughout bool ok; string line; std::vector stringSplit; // First line is comment line getline(inStream, line); line = trimmed(line); string title = " "; if (!line.empty()) title = line; // Next line is scaling factor getline(inStream, line); auto scalingFactor = lexicalCast(line, ok); if (!ok) { appendError("Error: Could not convert scaling factor to double in POSCAR"); return false; } Matrix3 cellMat; // Next comes the matrix for (size_t i = 0; i < 3; ++i) { getline(inStream, line); stringSplit = split(line, ' '); // If this is not three, then there is some kind of error in the line if (stringSplit.size() != 3) { appendError("Error reading lattice vectors in POSCAR"); return false; } // UnitCell expects a matrix of this form cellMat(0, i) = lexicalCast(stringSplit.at(0)) * scalingFactor; cellMat(1, i) = lexicalCast(stringSplit.at(1)) * scalingFactor; cellMat(2, i) = lexicalCast(stringSplit.at(2)) * scalingFactor; } // Sometimes, atomic symbols go here. getline(inStream, line); stringSplit = split(line, ' '); if (stringSplit.empty()) { appendError("Error reading numbers of atom types in POSCAR"); return false; } // Try a lexical cast here. If it fails, assume we have an atomic symbols list lexicalCast(trimmed(stringSplit.at(0)), ok); std::vector symbolsList; std::vector atomicNumbers; if (!ok) { // Assume atomic symbols are here and store them symbolsList = split(line, ' '); // Store atomic nums for (auto & i : symbolsList) atomicNumbers.push_back(Elements::atomicNumberFromSymbol(i)); // This next one should be atom types getline(inStream, line); } // If the atomic symbols aren't here, try to find them in the title // In Vasp 4.x, symbols are in the title like so: " O4H2 " else { stringSplit = split(title, ' '); if (stringSplit.size() != 0) { string trimmedFormula = trimmed(stringSplit.at(0)); // Let's replace all numbers with spaces for (char & i : trimmedFormula) { if (isdigit(i)) i = ' '; } // Now get the symbols with a simple space split symbolsList = split(trimmedFormula, ' '); for (auto & i : symbolsList) atomicNumbers.push_back( Elements::atomicNumberFromSymbol(i)); } } stringSplit = split(line, ' '); std::vector atomCounts; for (auto & i : stringSplit) { auto atomCount = lexicalCast(i); atomCounts.push_back(atomCount); } // If we never filled up the atomic numbers, fill them up // now with "1, 2, 3…" if (atomicNumbers.size() == 0) for (size_t i = 1; i <= atomCounts.size(); ++i) atomicNumbers.push_back(i); if (atomicNumbers.size() != atomCounts.size()) { appendError("Error: numSymbols and numTypes are not equal in POSCAR!"); return false; } // Starts with either [Ss]elective dynamics, [KkCc]artesian, or // other for fractional coords. getline(inStream, line); line = trimmed(line); // If selective dynamics, get the next line if (line.empty() || line.at(0) == 'S' || line.at(0) == 's') getline(inStream, line); line = trimmed(line); if (line.empty()) { appendError("Error determining Direct or Cartesian in POSCAR"); return false; } bool cart; // Check if we're using cartesian or fractional coordinates: if (line.at(0) == 'K' || line.at(0) == 'k' || line.at(0) == 'C' || line.at(0) == 'c') { cart = true; } // Assume direct if one of these was not found else { cart = false; } std::vector atoms; for (unsigned int atomCount : atomCounts) { for (size_t j = 0; j < atomCount; ++j) { getline(inStream, line); stringSplit = split(line, ' '); // This may be greater than 3 with selective dynamics if (stringSplit.size() < 3) { appendError("Error reading atomic coordinates in POSCAR"); return false; } Vector3 tmpAtom(lexicalCast(stringSplit.at(0)), lexicalCast(stringSplit.at(1)), lexicalCast(stringSplit.at(2))); atoms.push_back(tmpAtom); } } // Let's make a unit cell auto* cell = new UnitCell(cellMat); // If our atomic coordinates are fractional, convert them to Cartesian if (!cart) { for (auto & atom : atoms) atom = cell->toCartesian(atom); } // If they're cartesian, we just need to apply the scaling factor else { for (auto & atom : atoms) atom *= scalingFactor; } // If we made it this far, the read was a success! // Delete the current molecule. Add the new title and unit cell mol.clearAtoms(); mol.setData("name", title); mol.setUnitCell(cell); // Now add the atoms size_t k = 0; for (size_t i = 0; i < atomCounts.size(); ++i) { unsigned char atomicNum = atomicNumbers.at(i); for (size_t j = 0; j < atomCounts.at(i); ++j) { Atom newAtom = mol.addAtom(atomicNum); newAtom.setPosition3d(atoms.at(k)); ++k; } } return true; } bool PoscarFormat::write(std::ostream& outStream, const Core::Molecule& mol) { // Title if (mol.data("name").toString().length()) outStream << mol.data("name").toString() << std::endl; else outStream << "POSCAR" << std::endl; // Scaling factor outStream << " 1.00000000" << std::endl; // 3x3 matrix. Transpose is needed to orient the matrix correctly. const Matrix3& mat = mol.unitCell()->cellMatrix().transpose(); for (size_t i = 0; i < 3; ++i) { for (size_t j = 0; j < 3; ++j) { outStream << " " << std::setw(10) << std::right << std::fixed << std::setprecision(8) << mat(i, j); } outStream << std::endl; } // Adapted from chemkit: // A map of atomic symbols to their quantity. Array atomicNumbers = mol.atomicNumbers(); std::map composition; for (unsigned char & atomicNumber : atomicNumbers) { composition[atomicNumber]++; } // Atom symbols auto iter = composition.begin(); while (iter != composition.end()) { outStream << " " << Elements::symbol(iter->first); ++iter; } outStream << std::endl; // Numbers of each type iter = composition.begin(); while (iter != composition.end()) { outStream << " " << iter->second; ++iter; } outStream << std::endl; // Direct or cartesian? outStream << "Direct" << std::endl; // Final section is atomic coordinates size_t numAtoms = mol.atomCount(); // We need to make sure we that group the atomic numbers together. // The outer loop is for grouping them. iter = composition.begin(); while (iter != composition.end()) { unsigned char currentAtomicNum = iter->first; for (size_t i = 0; i < numAtoms; ++i) { // We need to group atomic numbers together. If this one is not // the current atomic number, skip over it. if (atomicNumbers.at(i) != currentAtomicNum) continue; Atom atom = mol.atom(i); if (!atom.isValid()) { appendError("Internal error: Atom invalid."); return false; } Vector3 fracCoords = mol.unitCell()->toFractional(atom.position3d()); outStream << " " << std::setw(10) << std::right << std::fixed << std::setprecision(8) << fracCoords.x() << " " << std::setw(10) << std::right << std::fixed << std::setprecision(8) << fracCoords.y() << " " << std::setw(10) << std::right << std::fixed << std::setprecision(8) << fracCoords.z() << "\n"; } ++iter; } return true; } std::vector PoscarFormat::fileExtensions() const { std::vector ext; ext.emplace_back("POSCAR"); return ext; } std::vector PoscarFormat::mimeTypes() const { std::vector mime; mime.emplace_back("N/A"); return mime; } bool OutcarFormat::read(std::istream& inStream, Core::Molecule& mol) { std::string buffer, dashedStr, positionStr, latticeStr; positionStr = " POSITION"; latticeStr = " Lattice vectors:"; dashedStr = " -----------"; std::vector stringSplit; int coordSet = 0, natoms = 0; Array positions; Vector3 ax1, ax2, ax3; bool ax1Set = false, ax2Set = false, ax3Set = false; typedef map AtomTypeMap; AtomTypeMap atomTypes; unsigned char customElementCounter = CustomElementMin; while (getline(inStream, buffer)) { // Checks whether the buffer object contains the lattice vectors keyword if (strncmp(buffer.c_str(), latticeStr.c_str(), latticeStr.size()) == 0) { // Checks whether lattice vectors have been already set. Reason being that // only the first occurrence denotes the true lattice vectors, and the // ones following these are vectors of the primitive cell. if (!(ax1Set && ax2Set && ax3Set)) { getline(inStream, buffer); for (int i = 0; i < 3; ++i) { getline(inStream, buffer); stringSplit = split(buffer, ' '); if (stringSplit[0] == "A1") { ax1 = Vector3(lexicalCast(stringSplit.at(3).substr( 0, stringSplit.at(3).size() - 1)), lexicalCast(stringSplit.at(4).substr( 0, stringSplit.at(4).size() - 1)), lexicalCast(stringSplit.at(5).substr( 0, stringSplit.at(5).size() - 1))); ax1Set = true; } else if (stringSplit[0] == "A2") { ax2 = Vector3(lexicalCast(stringSplit.at(3).substr( 0, stringSplit.at(3).size() - 1)), lexicalCast(stringSplit.at(4).substr( 0, stringSplit.at(4).size() - 1)), lexicalCast(stringSplit.at(5).substr( 0, stringSplit.at(5).size() - 1))); ax2Set = true; } else if (stringSplit[0] == "A3") { ax3 = Vector3(lexicalCast(stringSplit.at(3).substr( 0, stringSplit.at(3).size() - 1)), lexicalCast(stringSplit.at(4).substr( 0, stringSplit.at(4).size() - 1)), lexicalCast(stringSplit.at(5).substr( 0, stringSplit.at(5).size() - 1))); ax3Set = true; } } // Checks whether all the three axis vectors have been read if (ax1Set && ax2Set && ax3Set) { mol.setUnitCell(new UnitCell(ax1, ax2, ax3)); } } } // Checks whether the buffer object contains the POSITION keyword else if (strncmp(buffer.c_str(), positionStr.c_str(), positionStr.size()) == 0) { getline(inStream, buffer); // Double checks whether the succeeding line is a sequence of dashes if (strncmp(buffer.c_str(), dashedStr.c_str(), dashedStr.size()) == 0) { // natoms is not known, so the loop proceeds till the bottom dashed line // is encountered while (true) { getline(inStream, buffer); // Condition for encountering dashed line if (strncmp(buffer.c_str(), dashedStr.c_str(), dashedStr.size()) == 0) { if (coordSet == 0) { mol.setCoordinate3d(mol.atomPositions3d(), coordSet++); positions.reserve(natoms); } else { mol.setCoordinate3d(positions, coordSet++); positions.clear(); } break; } // Parsing the coordinates stringSplit = split(buffer, ' '); Vector3 tmpAtom(lexicalCast(stringSplit.at(0)), lexicalCast(stringSplit.at(1)), lexicalCast(stringSplit.at(2))); if (coordSet == 0) { AtomTypeMap::const_iterator it; atomTypes.insert( std::make_pair(std::to_string(natoms), customElementCounter++)); it = atomTypes.find(std::to_string(natoms)); // if (customElementCounter > CustomElementMax) { // appendError("Custom element type limit exceeded."); // return false; // } Atom newAtom = mol.addAtom(it->second); newAtom.setPosition3d(tmpAtom); natoms++; } else { positions.push_back(tmpAtom); } } } } } // Set the custom element map if needed: if (!atomTypes.empty()) { Molecule::CustomElementMap elementMap; for (const auto & atomType : atomTypes) { elementMap.insert(std::make_pair(atomType.second, "Atom " + atomType.first)); } mol.setCustomElementMap(elementMap); } return true; } bool OutcarFormat::write(std::ostream&, const Core::Molecule&) { return false; } std::vector OutcarFormat::fileExtensions() const { std::vector ext; ext.emplace_back("OUTCAR"); return ext; } std::vector OutcarFormat::mimeTypes() const { std::vector mime; mime.emplace_back("N/A"); return mime; } } // namespace Avogadro::Io avogadrolibs-1.100.0/avogadro/io/vaspformat.h000066400000000000000000000050261474375334400211120ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_VASPFORMAT_H #define AVOGADRO_IO_VASPFORMAT_H #include "fileformat.h" namespace Avogadro::Io { /** * @class PoscarFormat vaspformat.h * @brief Implementation of the generic POSCAR format. * @author Patrick S. Avery */ class AVOGADROIO_EXPORT PoscarFormat : public FileFormat { public: PoscarFormat() = default; ~PoscarFormat() override = default; Operations supportedOperations() const override { return ReadWrite | File | Stream | String; } FileFormat* newInstance() const override { return new PoscarFormat; } std::string identifier() const override { return "Avogadro: POSCAR"; } std::string name() const override { return "POSCAR"; } std::string description() const override { return "Format used by VASP that contains crystal cell and atom info."; } std::string specificationUrl() const override { return "http://cms.mpi.univie.ac.at/vasp/guide/node59.html"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& inStream, Core::Molecule& mol) override; bool write(std::ostream& outStream, const Core::Molecule& mol) override; }; class AVOGADROIO_EXPORT OutcarFormat : public FileFormat { public: OutcarFormat() = default; ~OutcarFormat() override = default; Operations supportedOperations() const override { return Read | File | Stream | String; } FileFormat* newInstance() const override { return new OutcarFormat; } std::string identifier() const override { return "Avogadro: OUTCAR"; } std::string name() const override { return "OUTCAR"; } std::string description() const override { return "Format used by VASP that contains trajectory output of a DFT/MD " "calculation."; } std::string specificationUrl() const override { return "https://cms.mpi.univie.ac.at/wiki/index.php/OUTCAR"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& inStream, Core::Molecule& mol) override; // unimplemented bool write(std::ostream& outStream, const Core::Molecule& mol) override; }; } // namespace Avogadro::Io #endif // AVOGADRO_IO_VASPFORMAT_H avogadrolibs-1.100.0/avogadro/io/xyzformat.cpp000066400000000000000000000261641474375334400213340ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "xyzformat.h" #include #include #include #include #include #include #include #include #include #include using json = nlohmann::json; using std::endl; using std::getline; using std::string; namespace Avogadro::Io { using Core::Array; using Core::Atom; using Core::Elements; using Core::lexicalCast; using Core::split; using Core::trimmed; #ifndef _WIN32 using std::isalpha; #endif bool findEnergy(const std::string& buffer, double& energyValue) { // Check for energy in the comment line // orca uses E -680.044112849966 (with spaces) // xtb uses energy: -680.044112849966 // Open Babel uses Energy: -680.044112849966 std::size_t energyStart = buffer.find("energy:"); std::size_t offset = 7; if (energyStart == std::string::npos) { energyStart = buffer.find("Energy:"); } if (energyStart == std::string::npos) { energyStart = buffer.find(" E "); offset = 3; } if (energyStart != std::string::npos) { // find the next whitespace or end of the string std::size_t energyEnd = buffer.find_first_of(" \t", energyStart + offset); if (energyEnd == std::string::npos) energyEnd = buffer.size(); std::string energy = buffer.substr(energyStart + offset, energyEnd); energyValue = lexicalCast(energy); return true; } return false; } bool XyzFormat::read(std::istream& inStream, Core::Molecule& mol) { json opts; if (!options().empty()) opts = json::parse(options(), nullptr, false); else opts = json::object(); size_t numAtoms = 0; if (!(inStream >> numAtoms)) { appendError("Error parsing number of atoms."); return false; } string buffer; getline(inStream, buffer); // Finish the first line getline(inStream, buffer); // comment or name or energy if (!buffer.empty()) mol.setData("name", trimmed(buffer)); double energy = 0.0; std::vector energies; if (findEnergy(buffer, energy)) { mol.setData("totalEnergy", energy); energies.push_back(energy); } // check for Lattice= in an extended XYZ from ASE and company // e.g. Lattice="H11 H21 H31 H12 H22 H32 H13 H23 H33" // https://atomsk.univ-lille.fr/doc/en/format_xyz.html // https://gitlab.com/ase/ase/-/merge_requests/62 std::size_t start = buffer.find("Lattice=\""); if (start != std::string::npos) { // step through bit by bit until we hit the next quote character start = start + 9; std::size_t end = buffer.find('\"', start); std::string lattice = buffer.substr(start, (end - start)); std::vector tokens(split(lattice, ' ')); if (tokens.size() == 9) { Vector3 v1(lexicalCast(tokens[0]), lexicalCast(tokens[1]), lexicalCast(tokens[2])); Vector3 v2(lexicalCast(tokens[3]), lexicalCast(tokens[4]), lexicalCast(tokens[5])); Vector3 v3(lexicalCast(tokens[6]), lexicalCast(tokens[7]), lexicalCast(tokens[8])); auto* cell = new Core::UnitCell(v1, v2, v3); mol.setUnitCell(cell); } } // check to see if there's an extended XYZ Properties= line // e.g. Properties=species:S:1:pos:R:3 // https://gitlab.com/ase/ase/-/merge_requests/62 start = buffer.find("Properties="); unsigned int chargeColumn = 0; unsigned int forceColumn = 0; std::vector charges; if (start != std::string::npos) { start = start + 11; // skip over "Properties=" unsigned int stop = buffer.find(' ', start); unsigned int length = stop - start; // we want to track columns after the position // (esp. charge, spin, force, velocity, etc.) std::string properties = buffer.substr(start, length); std::vector tokens(split(properties, ':')); unsigned int column = 0; for (size_t i = 0; i < tokens.size(); i += 3) { // we can safely assume species and pos are present if (tokens[i] == "charge") { chargeColumn = column; } else if (tokens[i] == "force" || tokens[i] == "forces") { forceColumn = column; } // TODO other properties (velocity, spin, selection, etc.) // increment column based on the count of the property if (i + 2 < tokens.size()) { column += lexicalCast(tokens[i + 2]); } } } // Parse atoms for (size_t i = 0; i < numAtoms; ++i) { getline(inStream, buffer); std::vector tokens; // check for tabs PR#1512 if (buffer.find('\t') != std::string::npos) tokens = split(buffer, '\t'); else tokens = split(buffer, ' '); if (tokens.size() < 4) { appendError("Not enough tokens in this line: " + buffer); return false; } unsigned char atomicNum(0); if (isalpha(tokens[0][0])) atomicNum = Elements::atomicNumberFromSymbol(tokens[0]); else atomicNum = static_cast(lexicalCast(tokens[0])); Vector3 pos(lexicalCast(tokens[1]), lexicalCast(tokens[2]), lexicalCast(tokens[3])); Atom newAtom = mol.addAtom(atomicNum); newAtom.setPosition3d(pos); // check for charge and force columns if (chargeColumn > 0 && chargeColumn < tokens.size()) { charges.push_back(lexicalCast(tokens[chargeColumn])); // we set the charges after all atoms are added } if (forceColumn > 0 && forceColumn < tokens.size()) { Vector3 force(lexicalCast(tokens[forceColumn]), lexicalCast(tokens[forceColumn + 1]), lexicalCast(tokens[forceColumn + 2])); newAtom.setForceVector(force); } } // Check that all atoms were handled. if (mol.atomCount() != numAtoms) { std::ostringstream errorStream; errorStream << "Error parsing atom at index " << mol.atomCount() << " (line " << 3 + mol.atomCount() << ").\n" << buffer; appendError(errorStream.str()); return false; } // Do we have an animation? size_t numAtoms2; // check if the next frame has the same number of atoms getline(inStream, buffer); // should be the number of atoms if (buffer.size() == 0 || buffer[0] == '>') { getline(inStream, buffer); // Orca 6 prints ">" separators } if ((numAtoms2 = lexicalCast(buffer)) && numAtoms == numAtoms2) { getline(inStream, buffer); // comment line // check for properties in the comment line if (findEnergy(buffer, energy)) { energies.push_back(energy); } mol.setCoordinate3d(mol.atomPositions3d(), 0); int coordSet = 1; bool done = false; while (numAtoms == numAtoms2) { Array positions; positions.reserve(numAtoms); for (size_t i = 0; i < numAtoms; ++i) { getline(inStream, buffer); if (inStream.eof()) { numAtoms2 = 0; done = true; break; // break this inner loop } std::vector tokens(split(buffer, ' ')); if (tokens.size() < 4) { appendError("Not enough tokens in this line: " + buffer); return false; } Vector3 pos(lexicalCast(tokens[1]), lexicalCast(tokens[2]), lexicalCast(tokens[3])); positions.push_back(pos); } if (!done) mol.setCoordinate3d(positions, coordSet++); if (getline(inStream, buffer)) { if (inStream.eof()) { numAtoms2 = 0; break; // break this inner loop } if (buffer.size() == 0 || buffer[0] == '>') getline(inStream, buffer); // Orca 6 prints ">" separators if (inStream.eof()) { numAtoms2 = 0; break; // break this inner loop } numAtoms2 = lexicalCast(buffer); if (numAtoms != numAtoms2) break; } std::getline(inStream, buffer); // Skip the blank // check for energies if (findEnergy(buffer, energy)) { energies.push_back(energy); } positions.clear(); } } // This format has no connectivity information, so perceive basics at least. if (opts.value("perceiveBonds", true)) { mol.perceiveBondsSimple(); mol.perceiveBondOrders(); } // have to set the charges after creating bonds // (since modifying bonds invalidates the partial charges) if (!charges.empty()) { MatrixX chargesMatrix = MatrixX::Zero(mol.atomCount(), 1); for (size_t i = 0; i < charges.size(); ++i) { chargesMatrix(i, 0) = charges[i]; } mol.setPartialCharges("From File", chargesMatrix); } if (energies.size() > 1) mol.setData("energies", energies); return true; } bool XyzFormat::write(std::ostream& outStream, const Core::Molecule& mol) { size_t numAtoms = mol.atomCount(); outStream << numAtoms << std::endl; if (mol.unitCell()) { // default to including Lattice for extended XYZ if present // https://atomsk.univ-lille.fr/doc/en/format_xyz.html // https://gitlab.com/ase/ase/-/merge_requests/62 outStream << "Lattice=\""; outStream << mol.unitCell()->aVector().x() << ' '; outStream << mol.unitCell()->aVector().y() << ' '; outStream << mol.unitCell()->aVector().z() << ' '; outStream << mol.unitCell()->bVector().x() << ' '; outStream << mol.unitCell()->bVector().y() << ' '; outStream << mol.unitCell()->bVector().z() << ' '; outStream << mol.unitCell()->cVector().x() << ' '; outStream << mol.unitCell()->cVector().y() << ' '; outStream << mol.unitCell()->cVector().z(); outStream << "\" Properties=species:S:1:pos:R:3" << endl; } else { if (mol.data("name").toString().length()) outStream << mol.data("name").toString() << endl; else outStream << "XYZ file generated by Avogadro.\n"; } for (size_t i = 0; i < numAtoms; ++i) { Atom atom = mol.atom(i); if (!atom.isValid()) { appendError("Internal error: Atom invalid."); return false; } outStream << std::setw(3) << std::left << Elements::symbol(atom.atomicNumber()) << " " << std::setw(15) << std::right << std::fixed << std::setprecision(10) << atom.position3d().x() << " " << std::setw(15) << std::right << std::fixed << std::setprecision(10) << atom.position3d().y() << " " << std::setw(15) << std::right << std::fixed << std::setprecision(10) << atom.position3d().z() << "\n"; } return true; } std::vector XyzFormat::fileExtensions() const { std::vector ext; ext.emplace_back("xyz"); ext.emplace_back("exyz"); ext.emplace_back("extxyz"); return ext; } std::vector XyzFormat::mimeTypes() const { std::vector mime; mime.emplace_back("chemical/x-xyz"); return mime; } } // namespace Avogadro::Io avogadrolibs-1.100.0/avogadro/io/xyzformat.h000066400000000000000000000030301474375334400207640ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_IO_XYZFORMAT_H #define AVOGADRO_IO_XYZFORMAT_H #include "fileformat.h" namespace Avogadro::Io { /** * @class XyzFormat xyzformat.h * @brief Implementation of the generic xyz format. * @author Allison Vacanti */ class AVOGADROIO_EXPORT XyzFormat : public FileFormat { public: XyzFormat() = default; ~XyzFormat() override = default; Operations supportedOperations() const override { return ReadWrite | MultiMolecule | File | Stream | String; } FileFormat* newInstance() const override { return new XyzFormat; } std::string identifier() const override { return "Avogadro: XYZ"; } std::string name() const override { return "XYZ"; } std::string description() const override { return "Generic format that tabulates atomic symbols and 3D positions."; } std::string specificationUrl() const override { return "http://openbabel.org/wiki/XYZ"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& inStream, Core::Molecule& molecule) override; bool write(std::ostream& outStream, const Core::Molecule& molecule) override; }; } // namespace Avogadro::Io #endif // AVOGADRO_IO_XYZFORMAT_H avogadrolibs-1.100.0/avogadro/molequeue/000077500000000000000000000000001474375334400201465ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/molequeue/CMakeLists.txt000066400000000000000000000020231474375334400227030ustar00rootroot00000000000000if(QT_VERSION EQUAL 6) find_package(Qt6 COMPONENTS Widgets Network REQUIRED) else() find_package(Qt5 COMPONENTS Widgets Network REQUIRED) endif() add_library(MoleQueue) avogadro_headers(MoleQueue batchjob.h inputgenerator.h inputgeneratordialog.h inputgeneratorwidget.h molequeuedialog.h molequeuemanager.h molequeuequeuelistmodel.h molequeuewidget.h ) target_sources(MoleQueue PRIVATE batchjob.cpp inputgenerator.cpp inputgeneratordialog.cpp inputgeneratorwidget.cpp molequeuedialog.cpp molequeuemanager.cpp molequeuequeuelistmodel.cpp molequeuewidget.cpp client/client.cpp client/jobobject.cpp client/jsonrpcclient.cpp ) set(UIS inputgeneratordialog.ui inputgeneratorwidget.ui molequeuedialog.ui molequeuewidget.ui ) qt_wrap_ui(UI_SOURCES ${UIS}) target_sources(MoleQueue PRIVATE ${UI_SOURCES}) avogadro_add_library(MoleQueue ${HEADERS} ${SOURCES}) set_target_properties(MoleQueue PROPERTIES AUTOMOC TRUE) target_link_libraries(MoleQueue PUBLIC Avogadro::QtGui Qt::Widgets Qt::Network) avogadrolibs-1.100.0/avogadro/molequeue/batchjob.cpp000066400000000000000000000153701474375334400224340ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "batchjob.h" #include "molequeuemanager.h" #include #include namespace Avogadro::MoleQueue { // initialize statics const BatchJob::BatchId BatchJob::InvalidBatchId = -1; const BatchJob::RequestId BatchJob::InvalidRequestId = -1; const BatchJob::ServerId BatchJob::InvalidServerId = std::numeric_limits::max(); BatchJob::BatchJob(QObject* par) : QObject(par) { setup(); } BatchJob::BatchJob(const QString& scriptFilePath, QObject* par) : QObject(par), m_inputGenerator(scriptFilePath) { setup(); } BatchJob::BatchId BatchJob::submitNextJob(const Core::Molecule& mol) { // Is everything configured? if (!m_inputGenerator.isValid() || m_inputGeneratorOptions.empty() || m_moleQueueOptions.empty()) { return InvalidBatchId; } // Verify that molequeue is running: MoleQueueManager& mqManager = MoleQueueManager::instance(); if (!mqManager.connectIfNeeded()) return InvalidBatchId; // Generate the input: if (!m_inputGenerator.generateInput(m_inputGeneratorOptions, mol)) { if (!m_inputGenerator.errorList().isEmpty()) { qWarning() << "BatchJob::submitNextJob() error:\n\t" << m_inputGenerator.errorList().join("\n\t"); } return InvalidBatchId; } // Warnings are non-fatal -- just print them for now: if (!m_inputGenerator.warningList().isEmpty()) { qWarning() << "BatchJob::submitNextJob() warning:\n\t" << m_inputGenerator.warningList().join("\n\t"); } BatchId bId = m_jobObjects.size(); // Create the job object: JobObject job; job.fromJson(m_moleQueueOptions); job.setDescription( tr("Batch Job #%L1 (%2)").arg(bId + 1).arg(job.description())); // Main input file: const QString mainFileName = m_inputGenerator.mainFileName(); job.setInputFile(mainFileName, m_inputGenerator.fileContents(mainFileName)); // Any additional input files: QStringList fileNames = m_inputGenerator.fileNames(); fileNames.removeOne(mainFileName); foreach (const QString& fn, fileNames) job.appendAdditionalInputFile(fn, m_inputGenerator.fileContents(fn)); // Submit the job RequestId rId = mqManager.client().submitJob(job); // Was submission successful? if (rId < 0) return InvalidBatchId; // Register the job and assign the ID. m_jobObjects.push_back(job); m_states.push_back(None); m_requests.insert(rId, Request(Request::SubmitJob, bId)); return bId; } bool BatchJob::lookupJob(BatchId bId) { ServerId sId = serverId(static_cast(bId)); if (sId == InvalidServerId) return false; // Verify that molequeue is running: MoleQueueManager& mqManager = MoleQueueManager::instance(); if (!mqManager.connectIfNeeded()) return false; Client& client = mqManager.client(); RequestId rId = client.lookupJob(sId); m_requests.insert(rId, Request(Request::LookupJob, bId)); return true; } void BatchJob::handleSubmissionReply(int rId, unsigned int sId) { Request req = m_requests.value(rId); if (req.isValid()) { m_requests.remove(rId); if (req.batchId >= m_jobObjects.size()) { qWarning() << "BatchJob::handleSubmissionReply(): batchID out of range."; return; } m_jobObjects[req.batchId].setValue("moleQueueId", QVariant(static_cast(sId))); m_serverIds.insert(sId, req.batchId); // Request full job details: lookupJob(req.batchId); } } void BatchJob::handleJobStateChange(unsigned int sId, const QString&, const QString&) { BatchId bId = m_serverIds.value(static_cast(sId), InvalidBatchId); if (bId == InvalidBatchId) return; // Update full job details: lookupJob(bId); } void BatchJob::handleLookupJobReply(int rId, const QJsonObject& jobInfo) { Request req = m_requests.value(rId); if (req.isValid()) { m_requests.remove(rId); if (req.batchId >= m_jobObjects.size()) { qWarning() << "BatchJob::handleSubmissionReply(): batchID out of range."; return; } JobObject& job(m_jobObjects[req.batchId]); job.fromJson(jobInfo); JobState oldState = m_states[req.batchId]; JobState newState = stringToState(job.value("jobState").toString()); m_states[req.batchId] = newState; emit jobUpdated(req.batchId, true); if (!isTerminal(oldState) && isTerminal(newState)) emit jobCompleted(req.batchId, newState); } } void BatchJob::handleErrorResponse(int requestId, int errorCode, const QString& errorMessage, const QJsonValue& errorData) { qDebug() << "Error rcv'd: {" << "requestId:" << requestId << "errorCode:" << errorCode << "errorMessage:" << errorMessage << "errorData:" << errorData << "}"; Request req = m_requests.value(requestId); if (!req.isValid()) return; m_requests.remove(requestId); if (req.batchId < m_jobObjects.size()) return; switch (req.type) { case Request::SubmitJob: // The job was rejected: qDebug() << "Batch job" << req.batchId << "was rejected by MoleQueue."; m_states[req.batchId] = Rejected; m_jobObjects[req.batchId].fromJson(QJsonObject()); break; case Request::LookupJob: qDebug() << "Batch job" << req.batchId << "failed to update."; emit jobUpdated(req.batchId, false); break; default: case Request::InvalidType: break; } } void BatchJob::setup() { static bool metaTypesRegistered = false; if (!metaTypesRegistered) { qRegisterMetaType("Avogadro::QtGui::BatchJob::BatchId"); qRegisterMetaType("BatchId"); qRegisterMetaType("Avogadro::QtGui::BatchJob::ServerId"); qRegisterMetaType("ServerId"); qRegisterMetaType("Avogadro::QtGui::BatchJob::RequestId"); qRegisterMetaType("RequestId"); metaTypesRegistered = true; } MoleQueueManager& mqManager = MoleQueueManager::instance(); Client& client = mqManager.client(); connect(&client, SIGNAL(submitJobResponse(int, uint)), SLOT(handleSubmissionReply(int, uint))); connect(&client, SIGNAL(lookupJobResponse(int, QJsonObject)), SLOT(handleLookupJobReply(int, QJsonObject))); connect(&client, SIGNAL(jobStateChanged(uint, QString, QString)), SLOT(handleJobStateChange(uint, QString, QString))); connect(&client, SIGNAL(errorReceived(int, int, QString, QJsonValue)), SLOT(handleErrorResponse(int, int, QString, QJsonValue))); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/molequeue/batchjob.h000066400000000000000000000237011474375334400220760ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_BATCHJOB_H #define AVOGADRO_QTGUI_BATCHJOB_H #include #include "inputgenerator.h" #include #include "client/jobobject.h" #include #include #include namespace Avogadro { namespace Core { class Molecule; } // end namespace Core namespace MoleQueue { /** * @brief The BatchJob class manages a collection of jobs that are configured * using the same InputGenerator and MoleQueue options. For use with * InputGeneratorDialog::configureBatchJob(BatchJob&). */ class AVOGADROMOLEQUEUE_EXPORT BatchJob : public QObject { Q_OBJECT public: /** * Job status. Same as those defined in molequeueglobal.h. The 'Rejected' * state is added to identify jobs that rejected by molequeue prior to having * a MoleQueue id (ServerId) set. */ enum JobState { Rejected = -2, Unknown = -1, None = 0, Accepted, QueuedLocal, Submitted, QueuedRemote, RunningLocal, RunningRemote, Finished, Canceled, Error }; /** * Type used to identify a job within this batch. Unique to this object. */ using BatchId = int; static const BatchId InvalidBatchId; /** * Type used to identify requests sent to the MoleQueue server. */ using RequestId = int; static const RequestId InvalidRequestId; /** * Type used by MoleQueue to identify jobs. Unique across the connected * MoleQueue server. */ using ServerId = unsigned int; static const ServerId InvalidServerId; /** * Construct a new BatchJob object. If provided, ese scriptFilePath to setup * the input generator. */ explicit BatchJob(QObject* parent = nullptr); explicit BatchJob(const QString& scriptFilePath, QObject* parent = nullptr); ~BatchJob() override = default; /** * Options for the input generator. * @{ */ void setInputGeneratorOptions(const QJsonObject& opts); QJsonObject inputGeneratorOptions() const; /**@}*/ /** * Options for MoleQueue. * @{ */ void setMoleQueueOptions(const QJsonObject& opts); QJsonObject moleQueueOptions() const; JobObject moleQueueJobTemplate() const; /**@}*/ /** * The internal InputGenerator. * @{ */ const InputGenerator& inputGenerator() const; InputGenerator& inputGenerator(); /**@}*/ /** * A string that will be used in the MoleQueue interface to identify this * batch job. Taken from the InputGenerator configured title. */ QString description() const; /** * @return The state of the job with the batch id @a batchId. */ JobState jobState(BatchId batchId) const; /** * @return The server id of the job with the batch id @a batchId. */ ServerId serverId(BatchId batchId) const; /** * @return The most recent JobObject for the job with the batch id @a batchId. * These are updated for each change in job state. */ JobObject jobObject(BatchId batchId) const; /** * @return True if @a state corresponds to a job that is finished running. */ static bool isTerminal(JobState state); /** * @return True if there are still running jobs. */ bool hasUnfinishedJobs() const; /** * @return The number of jobs that are running. */ int unfinishedJobCount() const; /** * @return The number of completed jobs. */ int finishedJobCount() const; /** * @return The total number of jobs in the batch. */ int jobCount() const; public slots: /** * Submit a job using the current configuration for @a mol. * @return The BatchId of the job, or InvalidBatchId if there was an error. */ virtual BatchId submitNextJob(const Core::Molecule& mol); /** * Request updated job details from the MoleQueue server for the job with * the batch id @a batchId. * * jobUpdated is emitted when the request is complete. * * @return True if the request is sent. */ bool lookupJob(BatchId batchId); signals: /** * Emitted when the reply from lookupJob is received. @a success will be false * if MoleQueue sends an error response (likely because the job was removed * from the job manager). */ void jobUpdated(Avogadro::MoleQueue::BatchJob::BatchId batchId, bool success); /** * Emitted when the job associated with @a batchId completes. @a status * is the final state of the jobs and can be used to determine whether or not * the job finished successfully. */ void jobCompleted(Avogadro::MoleQueue::BatchJob::BatchId batchId, Avogadro::MoleQueue::BatchJob::JobState status); private slots: void handleSubmissionReply(int requestId, unsigned int serverId); void handleJobStateChange(unsigned int serverId, const QString& oldState, const QString& newState); void handleLookupJobReply(int requestId, const QJsonObject& jobInfo); void handleErrorResponse(int requestId, int errorCode, const QString& errorMessage, const QJsonValue& errorData); private: // structs /** * Internal struct for tracking request metadata. */ struct Request { enum Type { InvalidType, SubmitJob, LookupJob }; explicit Request(Type t = InvalidType, BatchId b = InvalidBatchId); bool isValid() const { return type != InvalidType; } Type type; BatchId batchId; }; private: // methods void setup(); static JobState stringToState(const QString& string); static QString stateToString(JobState state); private: // variables InputGenerator m_inputGenerator; QJsonObject m_inputGeneratorOptions; QJsonObject m_moleQueueOptions; /// Cached job states. QList m_jobObjects; /// Lookup batch ids from server ids. QMap m_serverIds; /// Job states. For fast lookups without string conversions. QVector m_states; /// Pending requests. QMap m_requests; }; inline BatchJob::Request::Request(Type t, BatchId b) : type(t), batchId(b) { } inline void BatchJob::setInputGeneratorOptions(const QJsonObject& opts) { m_inputGeneratorOptions = opts; } inline QJsonObject BatchJob::inputGeneratorOptions() const { return m_inputGeneratorOptions; } inline void BatchJob::setMoleQueueOptions(const QJsonObject& opts) { m_moleQueueOptions = opts; } inline QJsonObject BatchJob::moleQueueOptions() const { return m_moleQueueOptions; } inline JobObject BatchJob::moleQueueJobTemplate() const { JobObject result; result.fromJson(m_moleQueueOptions); return result; } inline const InputGenerator& BatchJob::inputGenerator() const { return m_inputGenerator; } inline InputGenerator& BatchJob::inputGenerator() { return m_inputGenerator; } inline QString BatchJob::description() const { return moleQueueJobTemplate().description(); } inline BatchJob::JobState BatchJob::jobState(BatchJob::BatchId id) const { return id < m_states.size() ? m_states[id] : Unknown; } inline BatchJob::ServerId BatchJob::serverId(BatchJob::BatchId id) const { return id < m_jobObjects.size() ? m_jobObjects[id] .value("moleQueueId", InvalidServerId) .value() : InvalidServerId; } inline JobObject BatchJob::jobObject(BatchJob::BatchId id) const { return id < m_jobObjects.size() ? m_jobObjects[id] : JobObject(); } inline bool BatchJob::isTerminal(BatchJob::JobState state) { switch (state) { case Rejected: case Finished: case Canceled: case Error: return true; default: return false; } } inline bool BatchJob::hasUnfinishedJobs() const { for (auto m_state : m_states) { if (!isTerminal(m_state)) return true; } return false; } inline int BatchJob::unfinishedJobCount() const { int result = 0; for (auto m_state : m_states) { if (!isTerminal(m_state)) ++result; } return result; } inline int BatchJob::finishedJobCount() const { int result = 0; for (auto m_state : m_states) { if (isTerminal(m_state)) ++result; } return result; } inline int BatchJob::jobCount() const { return m_serverIds.size(); } inline BatchJob::JobState BatchJob::stringToState(const QString& str) { if (str == QLatin1String("None")) return None; else if (str == QLatin1String("Rejected")) return Rejected; else if (str == QLatin1String("Accepted")) return Accepted; else if (str == QLatin1String("QueuedLocal")) return QueuedLocal; else if (str == QLatin1String("Submitted")) return Submitted; else if (str == QLatin1String("QueuedRemote")) return QueuedRemote; else if (str == QLatin1String("RunningLocal")) return RunningLocal; else if (str == QLatin1String("RunningRemote")) return RunningRemote; else if (str == QLatin1String("Finished")) return Finished; else if (str == QLatin1String("Canceled")) return Canceled; else if (str == QLatin1String("Error")) return Error; else return Unknown; } inline QString BatchJob::stateToString(BatchJob::JobState state) { switch (state) { case None: return QString("None"); case Accepted: return QString("Accepted"); case Rejected: return QString("Rejected"); case QueuedLocal: return QString("QueuedLocal"); case Submitted: return QString("Submitted"); case QueuedRemote: return QString("QueuedRemote"); case RunningLocal: return QString("RunningLocal"); case RunningRemote: return QString("RunningRemote"); case Finished: return QString("Finished"); case Canceled: return QString("Canceled"); case Error: return QString("Error"); default: case Unknown: return QString("Unknown"); } } } // namespace MoleQueue } // namespace Avogadro #endif // AVOGADRO_MOLEQUEUE_BATCHJOB_H avogadrolibs-1.100.0/avogadro/molequeue/client/000077500000000000000000000000001474375334400214245ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/molequeue/client/client.cpp000066400000000000000000000177631474375334400234240ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "client.h" #include "jobobject.h" #include "jsonrpcclient.h" #include namespace Avogadro::MoleQueue { Client::Client(QObject* parent_) : QObject(parent_), m_jsonRpcClient(nullptr) {} Client::~Client() {} bool Client::isConnected() const { if (!m_jsonRpcClient) return false; else return m_jsonRpcClient->isConnected(); } bool Client::connectToServer(const QString& serverName) { if (!m_jsonRpcClient) { m_jsonRpcClient = new JsonRpcClient(this); connect(m_jsonRpcClient, SIGNAL(resultReceived(QJsonObject)), SLOT(processResult(QJsonObject))); connect(m_jsonRpcClient, SIGNAL(notificationReceived(QJsonObject)), SLOT(processNotification(QJsonObject))); connect(m_jsonRpcClient, SIGNAL(errorReceived(QJsonObject)), SLOT(processError(QJsonObject))); connect(m_jsonRpcClient, SIGNAL(connectionStateChanged()), SIGNAL(connectionStateChanged())); } return m_jsonRpcClient->connectToServer(serverName); } int Client::requestQueueList() { if (!m_jsonRpcClient) return -1; QJsonObject packet = m_jsonRpcClient->emptyRequest(); packet["method"] = QLatin1String("listQueues"); if (!m_jsonRpcClient->sendRequest(packet)) return -1; int localId = static_cast(packet["id"].toDouble()); m_requests[localId] = ListQueues; return localId; } int Client::submitJob(const JobObject& job) { if (!m_jsonRpcClient) return -1; QJsonObject packet = m_jsonRpcClient->emptyRequest(); packet["method"] = QLatin1String("submitJob"); packet["params"] = job.json(); if (!m_jsonRpcClient->sendRequest(packet)) return -1; int localId = static_cast(packet["id"].toDouble()); m_requests[localId] = SubmitJob; return localId; } int Client::lookupJob(unsigned int moleQueueId) { if (!m_jsonRpcClient) return -1; QJsonObject packet = m_jsonRpcClient->emptyRequest(); packet["method"] = QLatin1String("lookupJob"); QJsonObject params; params["moleQueueId"] = static_cast(moleQueueId); packet["params"] = params; if (!m_jsonRpcClient->sendRequest(packet)) return -1; int localId = static_cast(packet["id"].toDouble()); m_requests[localId] = LookupJob; return localId; } int Client::cancelJob(unsigned int moleQueueId) { if (!m_jsonRpcClient) return -1; QJsonObject packet = m_jsonRpcClient->emptyRequest(); packet["method"] = QLatin1String("cancelJob"); QJsonObject params; params["moleQueueId"] = static_cast(moleQueueId); packet["params"] = params; if (!m_jsonRpcClient->sendRequest(packet)) return -1; int localId = static_cast(packet["id"].toDouble()); m_requests[localId] = CancelJob; return localId; } int Client::registerOpenWith(const QString& name, const QString& executable, const QList& filePatterns) { if (!m_jsonRpcClient) return -1; QJsonObject method; method["executable"] = executable; QJsonObject packet(buildRegisterOpenWithRequest(name, filePatterns, method)); if (!m_jsonRpcClient->sendRequest(packet)) return -1; int localId = static_cast(packet["id"].toDouble()); m_requests[localId] = RegisterOpenWith; return localId; } int Client::registerOpenWith(const QString& name, const QString& rpcServer, const QString& rpcMethod, const QList& filePatterns) { if (!m_jsonRpcClient) return -1; QJsonObject method; method["rpcServer"] = rpcServer; method["rpcMethod"] = rpcMethod; QJsonObject packet(buildRegisterOpenWithRequest(name, filePatterns, method)); if (!m_jsonRpcClient->sendRequest(packet)) return -1; int localId = static_cast(packet["id"].toDouble()); m_requests[localId] = RegisterOpenWith; return localId; } int Client::listOpenWithNames() { if (!m_jsonRpcClient) return -1; QJsonObject packet = m_jsonRpcClient->emptyRequest(); packet["method"] = QLatin1String("listOpenWithNames"); if (!m_jsonRpcClient->sendRequest(packet)) return -1; int localId = static_cast(packet["id"].toDouble()); m_requests[localId] = ListOpenWithNames; return localId; } int Client::unregisterOpenWith(const QString& handlerName) { if (!m_jsonRpcClient) return -1; QJsonObject packet = m_jsonRpcClient->emptyRequest(); packet["method"] = QLatin1String("unregisterOpenWith"); QJsonObject params; params["name"] = handlerName; packet["params"] = params; if (!m_jsonRpcClient->sendRequest(packet)) return -1; int localId = static_cast(packet["id"].toDouble()); m_requests[localId] = UnregisterOpenWith; return localId; } void Client::flush() { if (m_jsonRpcClient) m_jsonRpcClient->flush(); } void Client::processResult(const QJsonObject& response) { if (response["id"] != QJsonValue::Null && m_requests.contains(static_cast(response["id"].toDouble()))) { int localId = static_cast(response["id"].toDouble()); switch (m_requests[localId]) { case ListQueues: emit queueListReceived(response["result"].toObject()); break; case SubmitJob: emit submitJobResponse( localId, static_cast( response["result"].toObject()["moleQueueId"].toDouble())); break; case LookupJob: emit lookupJobResponse(localId, response["result"].toObject()); break; case CancelJob: emit cancelJobResponse(static_cast( response["result"].toObject()["moleQueueId"].toDouble())); break; case RegisterOpenWith: emit registerOpenWithResponse(localId); break; case ListOpenWithNames: emit listOpenWithNamesResponse(localId, response["result"].toArray()); break; case UnregisterOpenWith: emit unregisterOpenWithResponse(localId); break; default: break; } } } void Client::processNotification(const QJsonObject& notification) { if (notification["method"].toString() == "jobStateChanged") { QJsonObject params = notification["params"].toObject(); emit jobStateChanged( static_cast(params["moleQueueId"].toDouble()), params["oldState"].toString(), params["newState"].toString()); } } void Client::processError(const QJsonObject& error) { int localId = static_cast(error["id"].toDouble()); int errorCode = -1; QString errorMessage = tr("No message specified."); QJsonValue errorData; const QJsonValue& errorValue = error.value(QLatin1String("error")); if (errorValue.isObject()) { const QJsonObject errorObject = errorValue.toObject(); if (errorObject.value("code").isDouble()) errorCode = static_cast(errorObject.value("code").toDouble()); if (errorObject.value("message").isString()) errorMessage = errorObject.value("message").toString(); if (errorObject.contains("data")) errorData = errorObject.value("data"); } emit errorReceived(localId, errorCode, errorMessage, errorData); } QJsonObject Client::buildRegisterOpenWithRequest( const QString& name, const QList& filePatterns, const QJsonObject& handlerMethod) { QJsonArray patterns; foreach (const QRegularExpression& regex, filePatterns) { QJsonObject pattern; pattern["regex"] = regex.pattern(); pattern["caseSensitive"] = regex.patternOptions().testFlag( QRegularExpression::CaseInsensitiveOption); patterns.append(pattern); } QJsonObject params; params["name"] = name; params["method"] = handlerMethod; params["patterns"] = patterns; QJsonObject packet = m_jsonRpcClient->emptyRequest(); packet["method"] = QLatin1String("registerOpenWith"); packet["params"] = params; return packet; } } // namespace Avogadro::MoleQueue avogadrolibs-1.100.0/avogadro/molequeue/client/client.h000066400000000000000000000174321474375334400230620ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_MOLEQUEUE_CLIENT_H #define AVOGADRO_MOLEQUEUE_CLIENT_H #include "avogadromolequeueexport.h" #include #include #include #include #include namespace Avogadro { namespace MoleQueue { class JsonRpcClient; class JobObject; /** * @class Client client.h * @brief The Client class is used by clients to submit jobs to a running * MoleQueue server. * @author Marcus D. Hanwell * * Provides a simple Qt C++ API to use the MoleQueue JSON-RPC calls to submit * and query the state of submitted jobs. */ class AVOGADROMOLEQUEUE_EXPORT Client : public QObject { Q_OBJECT public: explicit Client(QObject* parent_ = nullptr); ~Client(); /** * Query if the client is connected to a server. * @return True if connected, false if not. */ bool isConnected() const; public slots: /** * Connect to the server. * @param serverName Name of the socket to connect to, the default of * "MoleQueue" is usually correct when connecting to the running MoleQueue. */ bool connectToServer(const QString& serverName = "MoleQueue"); /** * Request the list of queues and programs from the server. The signal * queueListReceived() will be emitted once this has been received. * @return The local ID of the job submission request. */ int requestQueueList(); /** * Submit a job to MoleQueue. If the returned local ID is retained the signal * for a job submission will provide the MoleQueue ID along with the local ID. * @param job The job specification to be submitted to MoleQueue. * @return The local ID of the job submission request. */ int submitJob(const JobObject& job); /** * Request information about a job. You should supply the MoleQueue ID that * was received in response to a job submission. * @param moleQueueId The MoleQueue ID for the job. * @return The local ID of the job submission request. */ int lookupJob(unsigned int moleQueueId); /** * Cancel a job that was submitted. * @param moleQueueId The MoleQueue ID for the job. * @return The local ID of the job submission request. */ int cancelJob(unsigned int moleQueueId); /** * Register an executable file handler with MoleQueue. * @param name GUI name of the file handler. * @param executable Executable to call with the filename as the first * argument. If the full path to the exectuble is not specified, it must be * in the user's $PATH. * @param filePatterns A list of QRegularExpression objects that the handler * can open. The QRegularExpression objects may only use the new * QRegularExpression pattern syntax. * @return The local ID of the request. * @note The executable is expected to use the following calling convention * to open files: ~~~ executable /absolute/path/to/selected/fileName ~~~ */ int registerOpenWith(const QString& name, const QString& executable, const QList& filePatterns); /** * Register a JSON-RPC 2.0 local socket file handler with MoleQueue. * @param name GUI name of the file handler. * @param rpcServer Name of the local socket that the server is listening on. * @param rpcMethod JSON-RPC 2.0 request method to use. * @param filePatterns A list of QRegularExpression objects that the handler * can open. The QRegularExpression objects may only use the new * QRegularExpression pattern syntax. * @return The local ID of the request. * @note The following JSON-RPC 2.0 request is sent to the server when the * handler is activated: ~~~ { "jsonrpc": "2.0", "method": "", "params": { "fileName": "/absolute/path/to/selected/fileName" } }, "id": "XXX" } ~~~ * where is replaced by the @a rpcMethod argument. */ int registerOpenWith(const QString& name, const QString& rpcServer, const QString& rpcMethod, const QList& filePatterns); /** * @brief Request a list of all file handler names. * @return The local ID of the request. */ int listOpenWithNames(); /** * @brief Unregister the indicated file handler from the molequeue server. * @param handlerName Name of the file handler to remove. * @return The local ID of the request. * @sa listOpenWithNames */ int unregisterOpenWith(const QString& handlerName); /** * @brief flush Flush all pending messages to the server. * @warning This should not need to be called if used in an event loop, as Qt * will start writing to the socket as soon as control returns to the event * loop. */ void flush(); signals: /** * Emitted when the connection state changes. */ void connectionStateChanged(); /** * Emitted when the remote queue list is received. This gives a list of lists, * the primary key is the queue name, and that contains a list of available * programs for each queue. * @param queues A JSON object containing the names of the queues and the * programs each queue have available. */ void queueListReceived(QJsonObject queues); /** * Emitted when the job request response is received. * @param localId The local ID the job submission response is in reply to. * @param moleQueueId The remote MoleQueue ID for the job submission (can be * used to perform further actions on the job). */ void submitJobResponse(int localId, unsigned int moleQueueId); /** * Emitted when a job lookup response is received. * @param localId The local ID the job submission response is in reply to. * @param jobInfo A Json object containing all available job information. */ void lookupJobResponse(int localId, QJsonObject jobInfo); /** * Emitted when a job is successfully cancelled. */ void cancelJobResponse(unsigned int moleQueueId); /** * Emitted when the job state changes. */ void jobStateChanged(unsigned int moleQueueId, QString oldState, QString newState); /** * Emitted when a successful registerOpenWith response is received. */ void registerOpenWithResponse(int localId); /** * Emitted when a successful listOpenWithNames response is received. */ void listOpenWithNamesResponse(int localId, QJsonArray handlerNames); /** * Emitted when a successful unregisterOpenWith response is received. */ void unregisterOpenWithResponse(int localId); /** * Emitted when an error response is received. */ void errorReceived(int localId, int errorCode, QString errorMessage, QJsonValue errorData); protected slots: /** Parse the response object and emit the appropriate signal(s). */ void processResult(const QJsonObject& response); /** Parse a notification object and emit the appropriate signal(s). */ void processNotification(const QJsonObject& notification); /** Parse an error object and emit the appropriate signal(s). */ void processError(const QJsonObject& notification); protected: enum MessageType { Invalid = -1, ListQueues, SubmitJob, CancelJob, LookupJob, RegisterOpenWith, ListOpenWithNames, UnregisterOpenWith }; JsonRpcClient* m_jsonRpcClient; QHash m_requests; private: QJsonObject buildRegisterOpenWithRequest( const QString& name, const QList& filePatterns, const QJsonObject& handlerMethod); }; } // End namespace MoleQueue } // End namespace Avogadro #endif // AVOGADRO_MOLEQUEUE_CLIENT_H avogadrolibs-1.100.0/avogadro/molequeue/client/jobobject.cpp000066400000000000000000000057561474375334400241060ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "jobobject.h" #include namespace Avogadro::MoleQueue { JobObject::JobObject() { } JobObject::~JobObject() { } void JobObject::setValue(const QString &key, const QVariant &value_) { m_value[key] = QJsonValue::fromVariant(value_); } QVariant JobObject::value(const QString &key, const QVariant &defaultValue) const { return m_value.contains(key) ? m_value[key].toVariant() : defaultValue; } void JobObject::setQueue(const QString &queueName) { m_value["queue"] = queueName; } QString JobObject::queue() const { return m_value["queue"].toString(); } void JobObject::setProgram(const QString &programName) { m_value["program"] = programName; } QString JobObject::program() const { return m_value["program"].toString(); } void JobObject::setDescription(const QString &descriptionText) { m_value["description"] = descriptionText; } QString JobObject::description() const { return m_value["description"].toString(); } void JobObject::setInputFile(const QString &fileName, const QString &contents) { m_value["inputFile"] = fileSpec(fileName, contents); } void JobObject::setInputFile(const QString &path) { m_value["inputFile"] = fileSpec(path); } void JobObject::setInputFile(const QJsonObject &file) { m_value["inputFile"] = file; } QJsonObject JobObject::inputFile() const { return m_value["inputFile"].toObject(); } void JobObject::appendAdditionalInputFile(const QString &fileName, const QString &contents) { QJsonArray extraInputFiles; if (m_value["additionalInputFiles"].isArray()) extraInputFiles = m_value["additionalInputFiles"].toArray(); extraInputFiles.append(fileSpec(fileName, contents)); m_value["additionalInputFiles"] = extraInputFiles; } void JobObject::appendAdditionalInputFile(const QString &path) { QJsonArray extraInputFiles; if (m_value["additionalInputFiles"].isArray()) extraInputFiles = m_value["additionalInputFiles"].toArray(); extraInputFiles.append(fileSpec(path)); m_value["additionalInputFiles"] = extraInputFiles; } void JobObject::setAdditionalInputFiles(const QJsonArray &files) { m_value["additionalInputFiles"] = files; } void JobObject::clearAdditionalInputFiles() { m_value.remove("additionalInputFiles"); } QJsonArray JobObject::additionalInputFiles() const { return m_value["additionalInputFiles"].toArray(); } QJsonObject JobObject::fileSpec(const QString &fileName, const QString &contents) { QJsonObject result; result["filename"] = fileName; result["contents"] = contents; return result; } QJsonObject JobObject::fileSpec(const QString &path) { QJsonObject result; result["path"] = path; return result; } } // End namespace Avogadro avogadrolibs-1.100.0/avogadro/molequeue/client/jobobject.h000066400000000000000000000120241474375334400235350ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_MOLEQUEUE_JOBOBJECT_H #define AVOGADRO_MOLEQUEUE_JOBOBJECT_H #include "avogadromolequeueexport.h" #include #include #include namespace Avogadro { namespace MoleQueue { /** * @class JobObject jobobject.h * @brief Simple client-side representation for a MoleQueue job. * @author Marcus D. Hanwell * * The Job class provides a simple interface to the client side representation * of a job to be submitted to MoleQueue. Any fields that are not set/present * will be omitted entirely, or set to default values by MoleQueue. The internal * representation of a job (and the transport used) is JSON. * * The Job class and data structure is very lightweight, and designed to be * easily copied, modified and passed around. */ class AVOGADROMOLEQUEUE_EXPORT JobObject { public: JobObject(); ~JobObject(); /** Set the @p value of the specified @p key. */ void setValue(const QString &key, const QVariant &value); /** Get the value of the specified @p key. If the key is not set, return * @p defaultValue. */ QVariant value(const QString &key, const QVariant &defaultValue = QVariant()) const; /** * Set the job up using the supplied JSON object. This replaces all previous * settings that may have been applied. */ void fromJson(const QJsonObject &jsonObject) { m_value = jsonObject; } /** Get the JSON object with the current job settings in it. */ QJsonObject json() const { return m_value; } /** * Set the queue that the job should be submitted to. This must be a valid * queue name discovered using the client API. */ void setQueue(const QString &queueName); /** * Get the name of the queue that the job will be submitted to. An empty * string means that no queue has been set. */ QString queue() const; /** * Set the program that the job should be submitted to. This must be a valid * program in a valid queue as discovered using the client API. */ void setProgram(const QString &programName); /** * Get the name of the program that the job will be submitted to. An empty * string means that no program has been set. */ QString program() const; /** * Set the description of the job, this is free text. */ void setDescription(const QString &descriptionText); /** * Get the description of the job. */ QString description() const; /** * @brief Set the input file for the job. * @param fileName The file name as it will appear in the working directory. * @param contents The contents of the file specified. */ void setInputFile(const QString &fileName, const QString &contents); /** * Set the input file for the job, the file will be copied and the file name * used in the working directory of the job submission. * \param path The full path to the input file. */ void setInputFile(const QString &path); /** * Set the input file using a JSON object. This must conform to the file * specification. * @param file A JSON object employing file specification to specify input. */ void setInputFile(const QJsonObject &file); /** * Get the input file for the job. This is a JSON object using the file spec. */ QJsonObject inputFile() const; /** * Append an additional input file for the job. * @param fileName The file name as it will appear in the working directory. * @param contents The contents of the file specified. */ void appendAdditionalInputFile(const QString &fileName, const QString &contents); /** * Append an additional input file for the job, the file will be copied and * the file name used in the working directory of the job submission. * @param path The full path to the input file. */ void appendAdditionalInputFile(const QString &path); /** * Set the additional input file using a JSON object. This must conform to the * file specification. * @param files A JSON array employing file specification to specify input. */ void setAdditionalInputFiles(const QJsonArray &files); /** Clear additional input files. */ void clearAdditionalInputFiles(); /** * Get the additional input files for the job. This is a JSON object using the * file spec. */ QJsonArray additionalInputFiles() const; protected: QJsonObject m_value; /** * Generate a filespec JSON object form the supplied file name and contents. */ QJsonObject fileSpec(const QString &fileName, const QString &contents); /** * Generate a filespec JSON object form the supplied file path (must exist). */ QJsonObject fileSpec(const QString &path); }; } // End namespace MoleQueue } // End namespace Avogadro #endif // AVOGADRO_MOLEQUEUE_JOBOBJECT_H avogadrolibs-1.100.0/avogadro/molequeue/client/jsonrpcclient.cpp000066400000000000000000000066251474375334400250160ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "jsonrpcclient.h" #include #include #include #include namespace Avogadro::MoleQueue { JsonRpcClient::JsonRpcClient(QObject *parent_) : QObject(parent_), m_packetCounter(0), m_socket(nullptr) { connect(this, SIGNAL(newPacket(QByteArray)), SLOT(readPacket(QByteArray)), Qt::QueuedConnection); } JsonRpcClient::~JsonRpcClient() { flush(); } bool JsonRpcClient::isConnected() const { if (!m_socket) return false; else return m_socket->isOpen(); } bool JsonRpcClient::connectToServer(const QString &serverName_) { if (m_socket && m_socket->isOpen()) { if (m_socket->serverName() == serverName_) { return false; } else { m_socket->close(); delete m_socket; m_socket = nullptr; } } // New connection. if (m_socket == nullptr) { m_socket = new QLocalSocket(this); connect(m_socket, SIGNAL(readyRead()), this, SLOT(readSocket())); } if (serverName_.isEmpty()) { return false; } else { m_socket->connectToServer(serverName_); return isConnected(); } } QString JsonRpcClient::serverName() const { if (m_socket) return m_socket->serverName(); else return QString(); } void JsonRpcClient::flush() { if (m_socket) m_socket->flush(); } QJsonObject JsonRpcClient::emptyRequest() { QJsonObject request; request["jsonrpc"] = QLatin1String("2.0"); request["id"] = static_cast(m_packetCounter++); return request; } bool JsonRpcClient::sendRequest(const QJsonObject &request) { if (!m_socket) return false; QJsonDocument document(request); QDataStream stream(m_socket); stream.setVersion(QDataStream::Qt_4_8); stream << document.toJson(); return true; } void JsonRpcClient::readPacket(const QByteArray message) { // Read packet into a Json value QJsonParseError error; QJsonDocument reader = QJsonDocument::fromJson(message, &error); if (error.error != QJsonParseError::NoError) { emit badPacketReceived("Unparsable message received\n:" + error.errorString() + "\nContent: " + message); return; } else if (!reader.isObject()) { // We need a valid object, something bad happened. emit badPacketReceived("Packet did not contain a valid JSON object."); return; } else { QJsonObject root = reader.object(); if (root["method"] != QJsonValue::Null) { if (root["id"] != QJsonValue::Null) emit badPacketReceived("Received a request packet for the client."); else emit notificationReceived(root); } if (root["result"] != QJsonValue::Null) { // This is a result packet, and should emit a signal. emit resultReceived(root); } else if (root["error"] != QJsonValue::Null) { emit errorReceived(root); } } } void JsonRpcClient::readSocket() { if (m_socket->bytesAvailable() > 0) { QDataStream stream(m_socket); QByteArray json; stream >> json; emit newPacket(json); if (m_socket->bytesAvailable() > 0) QTimer::singleShot(0, this, SLOT(readSocket())); } } } // End namespace Avogadro avogadrolibs-1.100.0/avogadro/molequeue/client/jsonrpcclient.h000066400000000000000000000074231474375334400244600ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_MOLEQUEUE_JSONRPCCLIENT_H #define AVOGADRO_MOLEQUEUE_JSONRPCCLIENT_H #include "avogadromolequeueexport.h" #include #include class QLocalSocket; namespace Avogadro { namespace MoleQueue { /** * @class JsonRpcClient jsonrpcclient.h * @brief The JsonRpcClient class is used by clients to submit calls to an RPC * server using JSON-RPC 2.0. * @author Marcus D. Hanwell * * Provides a simple Qt C++ API to make JSON-RPC 2.0 calls to an RPC server. To * create a client connection and call a method the following should be done: * @code #include MoleQueue::JsonRpcClient *client = new MoleQueue::JsonRpcClient(this); client->connectToServer("MyRpcServer"); QJsonObject request(client->emptyRequest()); request["method"] = QLatin1String("listQueues"); client->sendRequest(request); @endcode * * You should connect to the appropriate signals in order to act on results, * notifications and errors received in response to requests set using the * client connection. */ class AVOGADROMOLEQUEUE_EXPORT JsonRpcClient : public QObject { Q_OBJECT public: explicit JsonRpcClient(QObject *parent_ = nullptr); ~JsonRpcClient(); /** * Query if the client is connected to a server. * @return True if connected, false if not. */ bool isConnected() const; /** * @return The server name that the client is connected to. */ QString serverName() const; public slots: /** * Connect to the server. * @param serverName Name of the socket to connect to. */ bool connectToServer(const QString &serverName); /** * @brief flush Flush all pending messages to the server. * @warning This should not need to be called if used in an event loop, as Qt * will start writing to the socket as soon as control returns to the event * loop. */ void flush(); /** * Use this function to construct an empty JSON-RPC 2.0 request, with a valid * request id, JSON-RPC 2.0 key etc. * @return a standard empty JSON-RPC 2.0 packet, the method etc is empty. */ QJsonObject emptyRequest(); /** * Send the Json request to the RPC server. * @param request The JSON-RPC 2.0 request object. * @return True on success, false on failure. */ bool sendRequest(const QJsonObject &request); protected slots: /** * Read incoming packets of data from the server. */ void readPacket(const QByteArray message); /** * Read incoming data, interpret JSON stream. */ void readSocket(); signals: /** * Emitted when the connection state changes. */ void connectionStateChanged(); /** * Emitted when a result is received. */ void resultReceived(QJsonObject message); /** * Emitted when a notification is received. */ void notificationReceived(QJsonObject message); /** * Emitted when an error response is received. */ void errorReceived(QJsonObject message); /** * Emitted when a bad packet was received that the client could not parse. */ void badPacketReceived(QString error); /** * Emitted when a new packet of data is received. This is handled internally, * other classes should listen to resultReceived, notificationReceived, * errorReceived, and badPacketReceived. */ void newPacket(const QByteArray &packet); protected: unsigned int m_packetCounter; QLocalSocket *m_socket; }; } // End namespace MoleQueue } // End namespace Avogadro #endif // AVOGADRO_MOLEQUEUE_JSONRPCCLIENT_H avogadrolibs-1.100.0/avogadro/molequeue/inputgenerator.cpp000066400000000000000000000533151474375334400237270ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "inputgenerator.h" #include #include #include #include #include #include #include #include #include #include namespace Avogadro::MoleQueue { using QtGui::GenericHighlighter; using QtGui::PythonScript; InputGenerator::InputGenerator(const QString& scriptFilePath_, QObject* parent_) : QObject(parent_), m_interpreter(new PythonScript(scriptFilePath_, this)), m_moleculeExtension("Unknown") { } InputGenerator::InputGenerator(QObject* parent_) : QObject(parent_), m_interpreter(new PythonScript(this)), m_moleculeExtension("Unknown") { } bool InputGenerator::debug() const { return m_interpreter->debug(); } QJsonObject InputGenerator::options() const { m_errors.clear(); if (m_options.isEmpty()) { qDeleteAll(m_highlightStyles.values()); m_highlightStyles.clear(); // Retrieve/set options QByteArray json = m_interpreter->execute(QStringList() << "--print-options"); if (m_interpreter->hasErrors()) { m_errors << m_interpreter->errorList(); return m_options; } QJsonDocument doc; if (!parseJson(json, doc)) return m_options; if (!doc.isObject()) { m_errors << tr("script --print-options output must be an JSON object " "at top level. Received:\n%1") .arg(json.constData()); return m_options; } m_options = doc.object(); // Check if the generator needs to read a molecule. m_moleculeExtension = "None"; if (m_options.contains("inputMoleculeFormat") && m_options["inputMoleculeFormat"].isString()) { m_moleculeExtension = m_options["inputMoleculeFormat"].toString(); } if (m_options.contains("highlightStyles") && m_options.value("highlightStyles").isArray()) { if (!parseHighlightStyles(m_options.value("highlightStyles").toArray())) { qDebug() << "Failed to parse highlighting styles."; } } } return m_options; } QString InputGenerator::displayName() const { m_errors.clear(); if (m_displayName.isEmpty()) { m_displayName = QString(m_interpreter->execute(QStringList() << "--display-name")); m_errors << m_interpreter->errorList(); m_displayName = m_displayName.trimmed(); } return m_displayName; } QString InputGenerator::scriptFilePath() const { return m_interpreter->scriptFilePath(); } void InputGenerator::setScriptFilePath(const QString& scriptFile) { reset(); m_interpreter->setScriptFilePath(scriptFile); } void InputGenerator::reset() { m_interpreter->setDefaultPythonInterpreter(); m_interpreter->setScriptFilePath(QString()); m_moleculeExtension = "Unknown"; m_displayName = QString(); m_options = QJsonObject(); m_warnings.clear(); m_errors.clear(); m_filenames.clear(); m_mainFileName.clear(); m_files.clear(); m_fileHighlighters.clear(); m_highlightStyles.clear(); } bool InputGenerator::generateInput(const QJsonObject& options_, const Core::Molecule& mol) { m_errors.clear(); m_warnings.clear(); m_filenames.clear(); qDeleteAll(m_fileHighlighters.values()); m_fileHighlighters.clear(); m_mainFileName.clear(); m_files.clear(); // Add the molecule file to the options QJsonObject allOptions(options_); if (!insertMolecule(allOptions, mol)) return false; QByteArray json(m_interpreter->execute(QStringList() << "--generate-input", QJsonDocument(allOptions).toJson())); if (m_interpreter->hasErrors()) { m_errors << m_interpreter->errorList(); return false; } QJsonDocument doc; if (!parseJson(json, doc)) return false; // Update cache bool result = true; if (doc.isObject()) { QJsonObject obj = doc.object(); // Check for any warnings: if (obj.contains("warnings")) { if (obj["warnings"].isArray()) { foreach (const QJsonValue& warning, obj["warnings"].toArray()) { if (warning.isString()) m_warnings << warning.toString(); else m_errors << tr("Non-string warning returned."); } } else { m_errors << tr("'warnings' member is not an array."); } } // Extract input file text: if (obj.contains("files")) { if (obj["files"].isArray()) { foreach (const QJsonValue& file, obj["files"].toArray()) { if (file.isObject()) { QJsonObject fileObj = file.toObject(); if (fileObj["filename"].isString()) { QString fileName = fileObj["filename"].toString(); QString contents; if (fileObj["contents"].isString()) { contents = fileObj["contents"].toString(); } else if (fileObj["filePath"].isString()) { QFile refFile(fileObj["filePath"].toString()); if (refFile.exists() && refFile.open(QFile::ReadOnly)) { contents = QString(refFile.readAll()); } else { contents = tr("Reference file '%1' does not exist.") .arg(refFile.fileName()); m_warnings << tr("Error populating file %1: %2") .arg(fileName, contents); } } else { m_errors << tr("File '%1' poorly formed. Missing string " "'contents' or 'filePath' members.") .arg(fileName); contents = m_errors.back(); result = false; } replaceKeywords(contents, mol); m_filenames << fileName; m_files.insert(fileObj["filename"].toString(), contents); // Concatenate the requested styles for this input file. if (fileObj["highlightStyles"].isArray()) { auto* highlighter(new GenericHighlighter(this)); foreach (const QJsonValue& styleVal, fileObj["highlightStyles"].toArray()) { if (styleVal.isString()) { QString styleName(styleVal.toString()); if (m_highlightStyles.contains(styleName)) { *highlighter += *m_highlightStyles[styleName]; } else { qDebug() << "Cannot find highlight style '" << styleName << "' for file '" << fileName << "'"; } } } if (highlighter->ruleCount() > 0) m_fileHighlighters[fileName] = highlighter; else highlighter->deleteLater(); } } else { result = false; m_errors << tr("Malformed file entry: filename/contents missing" " or not strings:\n%1") .arg(QString(QJsonDocument(fileObj).toJson())); } // end if/else filename and contents are strings } else { result = false; m_errors << tr("Malformed file entry at index %1: Not an object.") .arg(m_filenames.size()); } // end if/else file is JSON object } // end foreach file } else { result = false; m_errors << tr("'files' member not an array."); } // end if obj["files"] is JSON array } else { result = false; m_errors << tr("'files' member missing."); } // end if obj contains "files" // Extract main input filename: if (obj.contains("mainFile")) { if (obj["mainFile"].isString()) { QString mainFile = obj["mainFile"].toString(); if (m_filenames.contains(mainFile)) { m_mainFileName = mainFile; } else { result = false; m_errors << tr("'mainFile' member does not refer to an entry in " "'files'."); } // end if/else mainFile is known } else { result = false; m_errors << tr("'mainFile' member must be a string."); } // end if/else mainFile is string } else { // If no mainFile is specified and there is only one file, use it as the // main file. Otherwise, don't set a main input file -- all files will // be treated as supplemental input files if (m_filenames.size() == 1) m_mainFileName = m_filenames.first(); } // end if/else object contains mainFile } else { result = false; m_errors << tr("Response must be a JSON object at top-level."); } if (!result) m_errors << tr("Script output:\n%1").arg(QString(json)); return result; } int InputGenerator::numberOfInputFiles() const { return m_filenames.size(); } QStringList InputGenerator::fileNames() const { return m_filenames; } QString InputGenerator::mainFileName() const { return m_mainFileName; } QString InputGenerator::fileContents(const QString& fileName) const { return m_files.value(fileName, QString()); } GenericHighlighter* InputGenerator::createFileHighlighter( const QString& fileName) const { GenericHighlighter* toClone(m_fileHighlighters.value(fileName, nullptr)); return toClone ? new GenericHighlighter(*toClone) : toClone; } void InputGenerator::setDebug(bool d) { m_interpreter->setDebug(d); } bool InputGenerator::parseJson(const QByteArray& json, QJsonDocument& doc) const { QJsonParseError error; doc = QJsonDocument::fromJson(json, &error); if (error.error != QJsonParseError::NoError) { m_errors << tr("Parse error at offset %L1: '%2'\nRaw JSON:\n\n%3") .arg(error.offset) .arg(error.errorString()) .arg(QString(json)); return false; } return true; } bool InputGenerator::insertMolecule(QJsonObject& json, const Core::Molecule& mol) const { // Update the cached options if the format is not set if (m_moleculeExtension == "Unknown") options(); if (m_moleculeExtension == "None") return true; Io::FileFormatManager& formats = Io::FileFormatManager::instance(); QScopedPointer format( formats.newFormatFromFileExtension(m_moleculeExtension.toStdString())); if (format.isNull()) { m_errors << tr("Error saving molecule representation to string: " "Unrecognized file format: %1") .arg(m_moleculeExtension); return false; } std::string str; if (!format->writeString(str, mol)) { m_errors << tr("Error saving molecule representation to string: %1", "%1 = error message") .arg(QString::fromStdString(format->error())); return false; } if (m_moleculeExtension != "cjson") { json.insert(m_moleculeExtension, QJsonValue(QString::fromStdString(str))); } else { // If cjson was requested, embed the actual JSON, rather than the string. QJsonParseError error; QJsonDocument doc = QJsonDocument::fromJson(str.c_str(), &error); if (error.error != QJsonParseError::NoError) { m_errors << tr("Error generating cjson object: Parse error at offset %1: " "%2\nRaw JSON:\n\n%3") .arg(error.offset) .arg(error.errorString()) .arg(QString::fromStdString(str)); return false; } if (!doc.isObject()) { m_errors << tr("Error generator cjson object: Parsed JSON is not an " "object:\n%1") .arg(QString::fromStdString(str)); return false; } json.insert(m_moleculeExtension, doc.object()); } return true; } QString InputGenerator::generateCoordinateBlock(const QString& spec, const Core::Molecule& mol) const { Core::CoordinateBlockGenerator gen; gen.setMolecule(&mol); gen.setSpecification(spec.toStdString()); std::string tmp(gen.generateCoordinateBlock()); if (!tmp.empty()) tmp.resize(tmp.size() - 1); // Pop off the trailing newline return QString::fromStdString(tmp); } void InputGenerator::replaceKeywords(QString& str, const Core::Molecule& mol) const { // Simple keywords: str.replace("$$atomCount$$", QString::number(mol.atomCount())); str.replace("$$bondCount$$", QString::number(mol.bondCount())); // Find each coordinate block keyword in the file, then generate and replace // it with the appropriate values. QRegularExpression coordParser(R"(\$\$coords:([^\$]*)\$\$)"); QRegularExpressionMatch match; int ind = 0; // Not sure while this needs to be a while statement since we replace all in // one go? We never iterate ind... while ((match = coordParser.match(str, ind)).hasMatch()) { // Extract spec and prepare the replacement const QString keyword = match.captured(0); const QString spec = match.captured(1); // Replace all blocks with this signature str.replace(keyword, generateCoordinateBlock(spec, mol)); } // end for coordinate block } bool InputGenerator::parseHighlightStyles(const QJsonArray& json) const { bool result(true); foreach (QJsonValue styleVal, json) { if (!styleVal.isObject()) { qDebug() << "Non-object in highlightStyles array."; result = false; continue; } QJsonObject styleObj(styleVal.toObject()); if (!styleObj.contains("style")) { qDebug() << "Style object missing 'style' member."; result = false; continue; } if (!styleObj.value("style").isString()) { qDebug() << "Style object contains non-string 'style' member."; result = false; continue; } QString styleName(styleObj.value("style").toString()); if (m_highlightStyles.contains(styleName)) { qDebug() << "Duplicate highlight style: " << styleName; result = false; continue; } if (!styleObj.contains("rules")) { qDebug() << "Style object" << styleName << "missing 'rules' member."; result = false; continue; } if (!styleObj.value("rules").isArray()) { qDebug() << "Style object" << styleName << "contains non-array 'rules' member."; result = false; continue; } QJsonArray rulesArray(styleObj.value("rules").toArray()); auto* highlighter( new GenericHighlighter(const_cast(this))); if (!parseRules(rulesArray, *highlighter)) { qDebug() << "Error parsing style" << styleName << '\n' << QString(QJsonDocument(styleObj).toJson()); highlighter->deleteLater(); result = false; continue; } m_highlightStyles.insert(styleName, highlighter); } return result; } bool InputGenerator::parseRules(const QJsonArray& json, GenericHighlighter& highligher) const { bool result(true); foreach (QJsonValue ruleVal, json) { if (!ruleVal.isObject()) { qDebug() << "Rule is not an object."; result = false; continue; } QJsonObject ruleObj(ruleVal.toObject()); if (!ruleObj.contains("patterns")) { qDebug() << "Rule missing 'patterns' array:" << '\n' << QString(QJsonDocument(ruleObj).toJson()); result = false; continue; } if (!ruleObj.value("patterns").isArray()) { qDebug() << "Rule 'patterns' member is not an array:" << '\n' << QString(QJsonDocument(ruleObj).toJson()); result = false; continue; } QJsonArray patternsArray(ruleObj.value("patterns").toArray()); if (!ruleObj.contains("format")) { qDebug() << "Rule missing 'format' object:" << '\n' << QString(QJsonDocument(ruleObj).toJson()); result = false; continue; } if (!ruleObj.value("format").isObject()) { qDebug() << "Rule 'format' member is not an object:" << '\n' << QString(QJsonDocument(ruleObj).toJson()); result = false; continue; } QJsonObject formatObj(ruleObj.value("format").toObject()); GenericHighlighter::Rule& rule = highligher.addRule(); foreach (QJsonValue patternVal, patternsArray) { QRegularExpression pattern; if (!parsePattern(patternVal, pattern)) { qDebug() << "Error while parsing pattern:" << '\n' << QString(QJsonDocument(patternVal.toObject()).toJson()); result = false; continue; } rule.addPattern(pattern); } QTextCharFormat format; if (!parseFormat(formatObj, format)) { qDebug() << "Error while parsing format:" << '\n' << QString(QJsonDocument(formatObj).toJson()); result = false; } rule.setFormat(format); } return result; } bool InputGenerator::parseFormat(const QJsonObject& json, QTextCharFormat& format) const { // Check for presets first: if (json.contains("preset")) { if (!json["preset"].isString()) { qDebug() << "Preset is not a string."; return false; } QString preset(json["preset"].toString()); /// @todo Store presets in a singleton that can be configured in the GUI, /// rather than hardcoding them. if (preset == "title") { format.setFontFamily("serif"); format.setForeground(Qt::darkGreen); format.setFontWeight(QFont::Bold); } else if (preset == "keyword") { format.setFontFamily("mono"); format.setForeground(Qt::darkBlue); } else if (preset == "property") { format.setFontFamily("mono"); format.setForeground(Qt::darkRed); } else if (preset == "literal") { format.setFontFamily("mono"); format.setForeground(Qt::darkMagenta); } else if (preset == "comment") { format.setFontFamily("serif"); format.setForeground(Qt::darkGreen); format.setFontItalic(true); } else { qDebug() << "Invalid style preset: " << preset; return false; } return true; } // Extract an RGB tuple from 'array' as a QBrush: struct { QBrush operator()(const QJsonArray& array, bool* ok) { *ok = false; QBrush result; if (array.size() != 3) return result; int rgb[3]; for (int i = 0; i < 3; ++i) { if (!array.at(i).isDouble()) return result; rgb[i] = static_cast(array.at(i).toDouble()); if (rgb[i] < 0 || rgb[i] > 255) { qDebug() << "Warning: Color component value invalid: " << rgb[i] << " (Valid range is 0-255)."; } } result.setColor(QColor(rgb[0], rgb[1], rgb[2])); result.setStyle(Qt::SolidPattern); *ok = true; return result; } } colorParser; if (json.contains("foreground") && json.value("foreground").isArray()) { QJsonArray foregroundArray(json.value("foreground").toArray()); bool ok; format.setForeground(colorParser(foregroundArray, &ok)); if (!ok) return false; } if (json.contains("background") && json.value("background").isArray()) { QJsonArray backgroundArray(json.value("background").toArray()); bool ok; format.setBackground(colorParser(backgroundArray, &ok)); if (!ok) return false; } if (json.contains("attributes") && json.value("attributes").isArray()) { QJsonArray attributesArray(json.value("attributes").toArray()); format.setFontWeight(attributesArray.contains(QLatin1String("bold")) ? QFont::Bold : QFont::Normal); format.setFontItalic(attributesArray.contains(QLatin1String("italic"))); format.setFontUnderline( attributesArray.contains(QLatin1String("underline"))); } if (json.contains("family") && json.value("family").isString()) { format.setFontFamily(json.value("family").toString()); } return true; } bool InputGenerator::parsePattern(const QJsonValue& json, QRegularExpression& pattern) const { if (!json.isObject()) return false; QJsonObject patternObj(json.toObject()); QString regexPattern; QRegularExpression::PatternOptions patternOptions = QRegularExpression::NoPatternOption; if (patternObj.contains(QStringLiteral("regexp")) && patternObj.value(QStringLiteral("regexp")).isString()) { // Use the provided regular expression as-is regexPattern = patternObj.value(QStringLiteral("regexp")).toString(); } else if (patternObj.contains(QStringLiteral("wildcard")) && patternObj.value(QStringLiteral("wildcard")).isString()) { // Convert wildcard pattern (* -> .* and ? -> .) QString wildcard = patternObj.value(QStringLiteral("wildcard")).toString(); regexPattern = QRegularExpression::escape(wildcard) .replace("\\*", ".*") .replace("\\?", "."); } else if (patternObj.contains(QStringLiteral("string")) && patternObj.value(QStringLiteral("string")).isString()) { // Escape the string so it is treated literally in the regex regexPattern = QRegularExpression::escape( patternObj.value(QStringLiteral("string")).toString()); } else { return false; } // Set case sensitivity if specified if (patternObj.contains(QStringLiteral("caseSensitive"))) { bool caseSensitive = patternObj.value(QStringLiteral("caseSensitive")).toBool(true); if (!caseSensitive) { patternOptions |= QRegularExpression::CaseInsensitiveOption; } } // Set the final pattern with options pattern = QRegularExpression(regexPattern, patternOptions); return pattern.isValid(); } } // namespace Avogadro::MoleQueue avogadrolibs-1.100.0/avogadro/molequeue/inputgenerator.h000066400000000000000000000521671474375334400234000ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_MOLEQUEUE_INPUTGENERATOR_H #define AVOGADRO_MOLEQUEUE_INPUTGENERATOR_H #include "avogadromolequeueexport.h" #include #include #include #include #include #include class QJsonDocument; class QProcess; class QTextCharFormat; namespace Avogadro { namespace Core { class Molecule; } namespace QtGui { class GenericHighlighter; class PythonScript; } // namespace QtGui namespace MoleQueue { /** * @class InputGenerator inputgenerator.h * @brief The InputGenerator class provides an interface to input generator * scripts. * @sa InputGeneratorWidget * * The QuantumInput extension provides a scriptable method for users to add * custom input generators to Avogadro. By writing an executable that implements * the interface defined below, new input generators can be created faster and * easier than writing full Avogadro extensions. * * Script Entry Points * =================== * * The script must handle the following command-line arguments: * - `--debug` Enable extra debugging output. Used with other commands. * It is not required that the script support extra debugging, but it should * not crash when this option is passed. * - `--print-options` Print the available options supported by the * script, e.g. simulation parameters, etc. See below for more details. * - `--generate-input` Read an option block from stdin and print * input files to stdout. See below for more details. * - `--display-name` Print a user-friendly name for the input generator. * This is used in the GUI for menu entries, window titles, etc. * * Specifying parameters with `--print-options` * ============================================ * * The format of the `--print-options` output must be a JSON object of * the following form: ~~~{.js} { "userOptions": { ... }, "highlightStyles": [ { "style": "Descriptive name", "rules": [ { "patterns": [ ... ], "format": { ... } }, ... ], }, ... ], "inputMoleculeFormat": "cjson" } ~~~ * The `userOptions` block contains a JSON object keyed with option names * (e.g. "First option name"), which are used in the GUI to label simulation * parameter settings. Various parameter types are supported: * * Fixed Mutually-Exclusive Parameter Lists * ---------------------------------------- * * Parameters that have a fixed number of mutually-exclusive string values will * be presented using a QComboBox. Such a parameter can be specified in the * `userOptions` block as: ~~~{.js} { "userOptions": { "Parameter Name": { "type": "stringList", "values": ["Option 1", "Option 2", "Option 3"], "default": 0 } } } ~~~ * Here, `Parameter Name` is the label that will be displayed in the GUI as a * label next to the combo box. * The array of strings in `values` will be used as the available entries in * the combo box in the order they are written. * `default` is a zero-based index into the `values` array and indicates * which value should be initially selected by default. * * Short Free-Form Text Parameters * ------------------------------- * * A short text string can be requested (e.g. for the "title" of an * optimization) via: ~~~{.js} { "userOptions": { "Parameter Name": { "type": "string", "default": "blah blah blah" } } } ~~~ * This will add a QLineEdit to the GUI, initialized with the text specified by * `default`. * * Existing files * -------------- * * An input generator can ask for the absolute path to an existing file using * the following option block: ~~~{.js} { "userOptions": { "Parameter Name": { "type": "filePath", "default": "/path/to/some/file" } } } ~~~ * This will add an Avogadro::QtGui::FileBrowseWidget to the GUI, initialized to * the file pointed to by default. * * Clamped Integer Values * ---------------------- * * Scripts may request integer values from a specified range by adding a * user-option of the following form: ~~~{.js} { "userOptions": { "Parameter Name": { "type": "integer", "minimum": -5, "maximum": 5, "default": 0, "prefix": "some text ", "suffix": " units" } } } ~~~ * This block will result in a QSpinBox, configured as follows: * - `minimum` and `maximum` indicate the valid range of integers for the * parameter. * - `default` is the integer value that will be shown initially. * - (optional) `prefix` and `suffix` are used to insert text before or * after the integer value in the spin box. * This is handy for specifying units. * Note that any prefix or suffix will be stripped out of the corresponding * entry in the call to `--generate-input`, and just the raw integer value * will be sent. * * Boolean Parameters * ------------------ * * If a simple on/off value is needed, a boolean type option can be requested: ~~~{.js} { "userOptions": { "Parameter Name": { "type": "boolean", "default": true, } } } ~~~ * This will result in a QCheckBox in the dynamically generated GUI, with * the initial check state shown in `default`. * * Special Parameters * ------------------ * * Some parameters are common to most calculation codes. * If the following parameter names are found, they will be handled specially * while creating the GUI. * It is recommended to use the names below for these options to provide a * consistent interface and ensure that MoleQueue job staging uses correct * values where appropriate. * * | Option name | type | description | * | :----------------: | :--------: | :------------------------------------------------------------------ | * | "Title" | string | Input file title comment, MoleQueue job description. | * | "Filename Base" | string | Input file base name, e.g. "job" in "job.inp". | * | "Processor Cores" | integer | Number of cores to use. Will be passed to MoleQueue. | * | "Calculation Type" | stringList | Type of calculation, e.g. "Single Point" or "Equilibrium Geometry". | * | "Theory" | stringList | Levels of QM theory, e.g. "RHF", "B3LYP", "MP2", "CCSD", etc. | * | "Basis" | stringList | Available basis sets, e.g. "STO-3G", "6-31G**", etc. | * | "Charge" | integer | Charge on the system. | * | "Multiplicity" | integer | Spin multiplicity of the system. | * * Syntax Highlighting * ------------------- * * Rules for syntax highlighting can be specified as a collection of regular * expressions or wildcard patterns and text format specifications in the * "highlightRules" array. The `highlightRules` format is: ~~~{.js} "highlightStyles": [ { "style": "Style 1", "rules": [ (list of highlight rules, see below) ], }, { "style": "Style 2", "rules": [ (list of highlight rules, see below) ], }, ... ], ~~~ * The `style` name is unique to the style object, and used to associate a * set of highlighting rules with particular output files. See the * `--generate-input` documentation for more details. * * The general form of a highlight rule is: ~~~{.js} { "patterns": [ { "regexp": "^Some regexp?$" }, { "wildcard": "A * wildcard expression" }, { "string": "An exact string to match.", "caseSensitive": false }, ... ], "format": { "preset": "" } } ~~~ * * or, * ~~~{.js} { "patterns": [ ... ], "format": { "foreground": [ 255, 128, 64 ], "background": [ 0, 128, 128 ], "attributes": ["bold", "italic", "underline"], "family": "serif" } } ~~~ * * The `patterns` array contains a collection of fixed strings, wildcard * expressions, and regular expressions (using the QRegularExpression syntax * flavor, see the QRegularExpression documentation) that are used to identify * strings that should be formatted. * There must be one of the following members present in each pattern object: * - `regexp` A QRegularExpresion-style regular expression. If no capture groups * ("(...)") are defined, the entire match is formatted. If one or more * capture groups, only the captured texts will be marked. * - `wildcard` A wildcard expression * - `string` An exact string to match. * * Any pattern object may also set a boolean `caseSensitive` member to indicate * whether the match should consider character case. If omitted, a * case-sensitive match is assumed. * * The preferred form of the `format` member is simply a specification of a * preset format. * This allows for consistent color schemes across input generators. * The recognized presets are: * - `"title"`: A human readable title string. * - `"keyword"`: directives defined by the target input format specification * to have special meaning, such as tags indicating where coordinates are * to be found. * - `"property"`: A property of the simulation, such as level of theory, basis * set, minimization method, etc. * - `"literal"`: A numeric literal (i.e. a raw number, such as a coordinate). * - `"comment"`: Sections of the input that are ignored by the simulation code. * * If advanced formatting is desired, the second form of the `format` member * allows fine-tuning of the font properties: * - `foreground` color as an RGB tuple, ranged 0-255 * - `background` color as an RGB tuple, ranged 0-255 * - `attributes` array of font attributes, valid strings are `"bold"`, * `"italic"`, or `"underline"` * - `family` of font. Valid values are `"serif"`, `"sans"`, or `"mono"` * * Any of the font property members may be omitted and default QTextCharFormat * settings will be substituted. * * The input generator extension will apply the entries in the `highlightRules` * object to the text in the order they appear. Thus, later rules will * override the formatting of earlier rules should a conflict arise. * * Requesting Full Structure of Current Molecule * --------------------------------------------- * * The `inputMoleculeFormat` is optional, and can be used to request a * representation of the current molecule's geometry when * `--generate-input` is called. The corresponding value * indicates the format of the molecule that the script expects. If this value * is omitted, no representation of the structure will be provided. * * @note Currently valid options for inputMoleculeFormat are "cjson" for * Chemical JSON or "cml" for Chemical Markup Language. * * Handling User Selections: `--generate-input` * ============================================ * * When `--generate-input` is passed, the information needed to generate * the input file will be written to the script's standard input * channel as JSON string of the following form: ~~~{.js} { "cjson": {...}, "options": { "First option name": "Value 2", "Second option name": "Value 1", ... } } ~~~ * The `cjson` entry will contain a Chemical JSON representation * of the molecule if `inputMoleculeFormat` is set to "cjson" in the * `--print-options` output. * Similarly, a `cml` entry and CML string will exist if a Chemical Markup * Language representation was requested. * It will be omitted entirely if `inputMoleculeFormat` is not set. * The `options` block contains key/value * pairs for each of the options specified in the `userOptions` block of the * `--print-options` output. * * If the script is called with `--generate-input`, it must write a JSON * string to standard output with the following format: ~~~{.js} { "files": [ { "filename": "file1.ext", "contents": "...", "highlightStyles": [ ... ] }, { "filename": "file2.ext", "filePath": "/path/to/file/on/local/filesystem" }, ... ], "warnings": ["First warning.", "Second warning.", ... ], "mainFile": "file2.ext" } ~~~ * The `files` block is an array of objects, which define the actual input * files. The `filename` member provides the name of the file, and * either `contents` or `filePath` provide the text that goes into the file. * The `contents` string will be used as the file contents, and `filePath` * should contain an absolute path to a file on the filesystem to read and use * as the input file contents. * The optional `highlightStyles` member is an array of strings describing any * highlight styles to apply to the file (see `--print-options` documentation). * Each string in this array must match a `style` description in a highlighting * rule in the `--print-options` output. * Zero or more highlighting styles may be applied to any file. * The order of the files in the * GUI will match the order of the files in the array, and the first file will * be displayed first. * * The `warnings` member provides an array of strings that describe non-fatal * warnings to be shown to the users. This is useful for describing * the resolution of conflicting options, e.g. "Ignoring basis set for * semi-empirical calculation.". This member is optional and should be omitted * if no warnings are present. * * The `mainFile` member points to the primary input file for a calculation. * This is the file that will be used as a command line argument when executing * the simulation code (if applicable), and used by MoleQueue to set the * `$$inputFileName$$` and `$$inputFileBaseName$$` input template keywords. * This is optional; if present, the filename must exist in the `files` array. * If absent and only one file is specified in `files`, the single input file * will be used. Otherwise, the main file will be left unspecified. * * Automatic Generation of Geometry * ================================ * * The generation of molecular geometry descriptions may be skipped in the * script and deferred to the InputGenerator class by use of a special keyword. * The "contents" string may contain a keyword of the form ~~~ $$coords:[coordSpec]$$ ~~~ * where `[coordSpec]` is a sequence of characters. * The characters in `[coordSpec]` indicate the information needed about each * atom in the coordinate block. * See the CoordinateBlockGenerator documentation for a list of recognized * characters. * * Other keywords that can be used in the input files are: * - `$$atomCount$$`: Number of atoms in the molecule. * - `$$bondCount$$`: Number of bonds in the molecule. * * Error Handling * ============== * * In general, these scripts should be written robustly so that they will not * fail under normal circumstances. However, if for some reason an error * occurs that must be reported to the user, simply write the error message to * standard output as plain text (i.e. not JSON), and it will be shown to the * user. * * Debugging * ========= * * Debugging may be enabled by defining AVO_QM_INPUT_DEBUG in the process's * environment. This will cause the --debug option to be passed in * all calls to generator scripts, and will print extra information to the * qDebug() stream from within avogadro. The script is free to handle the * debug flag as the author wishes. */ class AVOGADROMOLEQUEUE_EXPORT InputGenerator : public QObject { Q_OBJECT public: /** * Constructor * @param scriptFilePath_ Absolute path to generator script. */ explicit InputGenerator(const QString& scriptFilePath_, QObject* parent_ = nullptr); explicit InputGenerator(QObject* parent_ = nullptr); ~InputGenerator() override = default; /** * @return True if debugging is enabled. */ bool debug() const; /** * @return True if the generator is configured with a valid script. */ bool isValid() const; /** * Query the script for the available options (--generate-options) * and return the output as a JSON object. * @note The results will be cached the first time this function is called * and reused in subsequent calls. * @note If an error occurs, the error string will be set. Call hasErrors() * to check for success, and errorString() or errorList() to get a * user-friendly description of the error. */ QJsonObject options() const; /** * Query the script for a user-friendly name (--display-name). * @note The results will be cached the first time this function is called * and reused in subsequent calls. * @note If an error occurs, the error string will be set. Call hasErrors() * to check for success, and errorString() or errorList() to get a * user-friendly description of the error. */ QString displayName() const; /** * @return The path to the generator file. */ QString scriptFilePath() const; /** * Set the path to the input generator script file. This will reset any * cached data held by this class. */ void setScriptFilePath(const QString& scriptFile); /** * Clear any cached data and return to an uninitialized state. */ void reset(); /** * Request input files from the script using the supplied options object and * molecule. See the class documentation for details on the @p options_ * object format. * * If the files are generated successfully, use the functions * numberOfInputFiles(), fileNames(), and fileContents() to retrieve them. * * @return true on success and false on failure. * @note If an error occurs, the error string will be set. Call hasErrors() * to check for success, and errorString() or errorList() to get a * user-friendly description of the error. */ bool generateInput(const QJsonObject& options_, const Core::Molecule& mol); /** * @return The number of input files stored by generateInput(). * @note This function is only valid after a successful call to * generateInput(). */ int numberOfInputFiles() const; /** * @return A list of filenames created by generateInput(). * @note This function is only valid after a successful call to * generateInput(). */ QStringList fileNames() const; /** * @return The "main" input file of the collection. This is the input file * used by MoleQueue to determine the $$inputFileName$$ and * $$inputFileBaseName$$ keywords. * @note This function is only valid after a successful call to * generateInput(). */ QString mainFileName() const; /** * @return A file contents corresponding to @p fileName. Must call * generateInput() first. * @sa fileNames */ QString fileContents(const QString& fileName) const; /** * @return A syntax highlighter for the file @a fileName. Must call * generateInput() first. The caller takes ownership of the returned object. * If no syntax highlighter is defined, this function returns nullptr. * @sa fileNames */ QtGui::GenericHighlighter* createFileHighlighter( const QString& fileName) const; /** * @return True if an error is set. */ bool hasErrors() const { return !m_errors.isEmpty(); } /** * Reset the error counter. */ void clearErrors() { m_errors.clear(); } /** * @return A QStringList containing all errors that occurred in the last call * to the input generator script. */ QStringList errorList() const { return m_errors; } /** * @return A QStringList containing all warnings returned by the input * generator script in the last call to generateInput. These are * script-specific warnings. */ QStringList warningList() const { return m_warnings; } public slots: /** * Enable/disable debugging. */ void setDebug(bool d); private: QtGui::PythonScript* m_interpreter; void setDefaultPythonInterpreter(); QByteArray execute(const QStringList& args, const QByteArray& scriptStdin = QByteArray()) const; bool parseJson(const QByteArray& json, QJsonDocument& doc) const; QString processErrorString(const QProcess& proc) const; bool insertMolecule(QJsonObject& json, const Core::Molecule& mol) const; QString generateCoordinateBlock(const QString& spec, const Core::Molecule& mol) const; void replaceKeywords(QString& str, const Core::Molecule& mol) const; bool parseHighlightStyles(const QJsonArray& json) const; bool parseRules(const QJsonArray& json, QtGui::GenericHighlighter& highligher) const; bool parseFormat(const QJsonObject& json, QTextCharFormat& format) const; bool parsePattern(const QJsonValue& json, QRegularExpression& pattern) const; // File extension of requested molecule format mutable QString m_moleculeExtension; mutable QString m_displayName; mutable QJsonObject m_options; mutable QStringList m_warnings; mutable QStringList m_errors; QStringList m_filenames; QString m_mainFileName; QMap m_files; QMap m_fileHighlighters; mutable QMap m_highlightStyles; }; inline bool InputGenerator::isValid() const { displayName(); return !hasErrors(); } } // namespace MoleQueue } // namespace Avogadro #endif // AVOGADRO_MOLEQUEUE_INPUTGENERATOR_H avogadrolibs-1.100.0/avogadro/molequeue/inputgeneratordialog.cpp000066400000000000000000000036601474375334400251050ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "inputgeneratordialog.h" #include "ui_inputgeneratordialog.h" #include "inputgeneratorwidget.h" namespace Avogadro::MoleQueue { using QtGui::Molecule; InputGeneratorDialog::InputGeneratorDialog(QWidget* parent_) : QDialog(parent_), ui(new Ui::InputGeneratorDialog) { ui->setupUi(this); connect(ui->widget, SIGNAL(closeClicked()), SLOT(accept())); } InputGeneratorDialog::InputGeneratorDialog(const QString& scriptFileName, QWidget* parent_) : QDialog(parent_), ui(new Ui::InputGeneratorDialog) { ui->setupUi(this); connect(ui->widget, SIGNAL(closeClicked()), SLOT(accept())); this->setInputGeneratorScript(scriptFileName); } InputGeneratorDialog::~InputGeneratorDialog() { delete ui; } void InputGeneratorDialog::setInputGeneratorScript(const QString& scriptFile) { ui->widget->setInputGeneratorScript(scriptFile); QString displayName(ui->widget->inputGenerator().displayName()); if (ui->widget->inputGenerator().hasErrors()) setWindowTitle(tr("Input Generator (error)").arg(displayName)); else setWindowTitle(tr("%1 Input Generator").arg(displayName)); } InputGeneratorWidget& InputGeneratorDialog::widget() { return *ui->widget; } const InputGeneratorWidget& InputGeneratorDialog::widget() const { return *ui->widget; } bool InputGeneratorDialog::configureBatchJob(BatchJob& batch) { ui->widget->setBatchMode(true); auto reply = static_cast(exec()); if (reply != Accepted) return false; return ui->widget->configureBatchJob(batch); } void InputGeneratorDialog::setMolecule(Molecule* mol) { ui->widget->setMolecule(mol); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/molequeue/inputgeneratordialog.h000066400000000000000000000055031474375334400245500ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_MOLEQUEUE_INPUTGENERATORDIALOG_H #define AVOGADRO_MOLEQUEUE_INPUTGENERATORDIALOG_H #include "avogadromolequeueexport.h" #include "inputgeneratorwidget.h" #include #include namespace Avogadro { namespace QtGui { class Molecule; } namespace MoleQueue { class BatchJob; namespace Ui { class InputGeneratorDialog; } class InputGeneratorWidget; /** * @class InputGeneratorDialog inputgeneratordialog.h * * @brief The InputGeneratorDialog class provides a thin wrapper around * InputGeneratorWidget for standalone use. * @sa InputGenerator InputGeneratorWidget */ class AVOGADROMOLEQUEUE_EXPORT InputGeneratorDialog : public QDialog { Q_OBJECT public: explicit InputGeneratorDialog(QWidget* parent_ = nullptr); explicit InputGeneratorDialog(const QString& scriptFileName, QWidget* parent_ = nullptr); ~InputGeneratorDialog() override; /** * Use the input generator script pointed to by scriptFilePath. * @param scriptFilePath Absolute path to generator script. */ void setInputGeneratorScript(const QString& scriptFilePath); /** * @return A reference to the internal InputGeneratorWidget. * @{ */ InputGeneratorWidget& widget(); const InputGeneratorWidget& widget() const; /** @} */ /** * Used to configure batch jobs. * * When performing the same calculation on a number of molecules, this method * will ask the user to configure a calculation using the current molecule and * input generator settings. After the calculation settings are accepted, a * MoleQueueDialog is used to set job options. Both calculation and job * options are stored in the supplied BatchJob object. * * Errors are handled internally. User cancellation is indicated by this * method returning false. * * To submit jobs using the configured options, call BatchJob::submitNextJob * for each molecule. * * Typical usage: ~~~ BatchJob *batch = ...; InputGeneratorDialog dlg(scriptFilePath, windowParent); dlg.setMolecule(&refMol); // Representative molecule as placeholder in GUI. dlg.configureBatchJob(*batch); foreach(mol) batch->submitNextJob(mol); ~~~ */ bool configureBatchJob(BatchJob& batch); public slots: /** * Set the molecule used in the simulation. */ void setMolecule(QtGui::Molecule* mol); private: Ui::InputGeneratorDialog* ui; }; } // namespace MoleQueue } // namespace Avogadro #endif // AVOGADRO_MOLEQUEUE_INPUTGENERATORDIALOG_H avogadrolibs-1.100.0/avogadro/molequeue/inputgeneratordialog.ui000066400000000000000000000015771474375334400247450ustar00rootroot00000000000000 Avogadro::MoleQueue::InputGeneratorDialog 0 0 750 650 Dialog Avogadro::MoleQueue::InputGeneratorWidget QWidget
avogadro/molequeue/inputgeneratorwidget.h
1 avogadrolibs-1.100.0/avogadro/molequeue/inputgeneratorwidget.cpp000066400000000000000000000463751474375334400251430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "inputgeneratorwidget.h" #include "batchjob.h" #include "molequeuedialog.h" #include "molequeuemanager.h" #include "ui_inputgeneratorwidget.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::MoleQueue { InputGeneratorWidget::InputGeneratorWidget(QWidget* parent_) : QtGui::JsonWidget(parent_), m_ui(new Ui::InputGeneratorWidget), m_updatePending(false), m_inputGenerator(QString()) { m_ui->setupUi(this); m_ui->warningTextButton->setIcon(QIcon::fromTheme("dialog-warning")); connectButtons(); } InputGeneratorWidget::~InputGeneratorWidget() { delete m_ui; } void InputGeneratorWidget::setInputGeneratorScript(const QString& scriptFile) { m_inputGenerator.setScriptFilePath(scriptFile); m_ui->debugCheckBox->setChecked(m_inputGenerator.debug()); updateOptions(); resetWarningDisplay(); } void InputGeneratorWidget::setMolecule(QtGui::Molecule* mol) { if (mol == m_molecule) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; if (mol) { // make sure to call the base class method QtGui::JsonWidget::setMolecule(mol); connect(mol, SIGNAL(changed(unsigned int)), SLOT(updatePreviewText())); connect(mol, SIGNAL(changed(unsigned int)), SLOT(updateTitlePlaceholder())); } updateTitlePlaceholder(); updatePreviewTextImmediately(); } bool InputGeneratorWidget::configureBatchJob(BatchJob& batch) const { if (!m_batchMode) return false; QJsonObject mqOpts = promptForBatchJobOptions(); if (mqOpts.empty()) return false; JobObject job; job.fromJson(mqOpts); QJsonObject calcOpts; calcOpts[QLatin1String("options")] = collectOptions(); // Set job description from title: QString description; if (!optionString("Title", description) || description.isEmpty()) description = generateJobTitle(); job.setDescription(description); mqOpts = job.json(); batch.setInputGeneratorOptions(calcOpts); batch.setMoleQueueOptions(mqOpts); return true; } void InputGeneratorWidget::setBatchMode(bool m) { if (m_batchMode != m) { m_batchMode = m; foreach (QTextEdit* edit, m_textEdits) edit->setReadOnly(m_batchMode); m_ui->computeButton->setVisible(!m_batchMode); m_ui->generateButton->setVisible(!m_batchMode); m_ui->closeButton->setText(m_batchMode ? tr("Continue") : tr("Close")); updateTitlePlaceholder(); } } void InputGeneratorWidget::showEvent(QShowEvent* e) { QWidget::showEvent(e); if (m_molecule != nullptr) { int charge = static_cast(m_molecule->totalCharge()); int multiplicity = static_cast(m_molecule->totalSpinMultiplicity()); setOption("Charge", charge); setOption("Multiplicity", multiplicity); } // Update the preview text if an update was requested while hidden. Use a // single shot to allow the dialog to show before popping up any warnings. if (m_updatePending) QTimer::singleShot(0, this, SLOT(updatePreviewTextImmediately())); } void InputGeneratorWidget::updatePreviewText() { if (m_updatePending) return; m_updatePending = true; QTimer::singleShot(250, this, SLOT(updatePreviewTextImmediately())); } void InputGeneratorWidget::updatePreviewTextImmediately() { // If the dialog is not shown, delay the update in case we need to prompt the // user to overwrite changes. Set the m_updatePending flag to true so we'll // know to update in the show event. if (!isVisible()) { m_updatePending = true; return; } // Reset the update throttling m_updatePending = false; // Have any buffers been modified? if (!m_dirtyTextEdits.isEmpty()) { QStringList buffers; foreach (QTextEdit* edit, m_dirtyTextEdits) buffers << m_textEdits.key(edit, tr("Unknown")); QString message = tr("The following file(s) have been modified:\n\n%1\n\n" "Would you like to overwrite your changes to reflect " "the new geometry or job options?", "", buffers.size()) .arg(buffers.join("\n")); int response = QMessageBox::question( this, tr("Overwrite modified input files?"), message, QMessageBox::Yes | QMessageBox::No, QMessageBox::No); if (static_cast(response) != QMessageBox::Yes) { // Prevent updates while restoring the option cache: bool oldUpdatePending = m_updatePending; m_updatePending = true; // Restore cached options. applyOptions(m_optionCache); m_updatePending = oldUpdatePending; return; } } if (!m_molecule) return; // Generate the input files QJsonObject inputOptions; inputOptions["options"] = collectOptions(); bool success = m_inputGenerator.generateInput(inputOptions, *m_molecule); if (!m_inputGenerator.warningList().isEmpty()) { QString warningHtml; warningHtml += ""; warningHtml += "

" + tr("Problems occurred during input generation:") + "

"; warningHtml += "
    "; foreach (const QString& warning, m_inputGenerator.warningList()) warningHtml += QString("
  • %1
    • ").arg(warning); warningHtml += "
"; setWarning(warningHtml); } else { resetWarningDisplay(); } if (!success) { showError(m_inputGenerator.errorList().join("\n\n")); m_inputGenerator.clearErrors(); return; } // Store the currently displayed tab QPointer currentWidget(m_ui->tabWidget->currentWidget()); // Ensure that the correct tabs are shown: QStringList fileNames = m_inputGenerator.fileNames(); // Remove unneeded tabs foreach (const QString& tabName, m_textEdits.keys()) { if (!fileNames.contains(tabName)) { QTextEdit* edit = m_textEdits.value(tabName); int index = m_ui->tabWidget->indexOf(edit); m_ui->tabWidget->removeTab(index); m_textEdits.remove(tabName); delete edit; } } // Add new tabs foreach (const QString& fileName, fileNames) { if (m_textEdits.contains(fileName)) continue; auto* edit = new QTextEdit(this); edit->setObjectName(fileName); edit->setFontFamily("monospace"); connect(edit, SIGNAL(textChanged()), this, SLOT(textEditModified())); m_ui->tabWidget->addTab(edit, fileName); m_textEdits.insert(fileName, edit); } // Sort and update int index = 0; foreach (const QString& fileName, fileNames) { QTextEdit* edit = m_textEdits.value(fileName); int tabIndex = m_ui->tabWidget->indexOf(edit); if (tabIndex != index) { m_ui->tabWidget->removeTab(tabIndex); m_ui->tabWidget->insertTab(index, edit, fileName); } QtGui::GenericHighlighter* highlighter = m_inputGenerator.createFileHighlighter(fileName); if (highlighter) { highlighter->setParent(this); highlighter->setDocument(edit->document()); } edit->setText(m_inputGenerator.fileContents(fileName)); edit->document()->setModified(false); ++index; } // Reset dirty buffer list and cached option list m_dirtyTextEdits.clear(); m_optionCache = collectOptions(); // Restore current tab if (!currentWidget.isNull()) m_ui->tabWidget->setCurrentWidget(currentWidget); } void InputGeneratorWidget::defaultsClicked() { setOptionDefaults(); updatePreviewTextImmediately(); } void InputGeneratorWidget::generateClicked() { if (m_textEdits.size() == 1) saveSingleFile(m_textEdits.keys().first()); else if (m_textEdits.size() > 1) saveDirectory(); else showError(tr("No input files to save!")); } void InputGeneratorWidget::computeClicked() { // Verify that molequeue is running: MoleQueueManager& mqManager = MoleQueueManager::instance(); if (!mqManager.connectIfNeeded()) { QMessageBox::information(this, tr("Cannot connect to MoleQueue"), tr("Cannot connect to MoleQueue server. Please " "ensure that it is running and try again.")); return; } // Collect info for the MoleQueueDialog: const QString mainFileName = m_inputGenerator.mainFileName(); QString description; if (!optionString("Title", description) || description.isEmpty()) description = generateJobTitle(); QString coresString; int numCores = optionString("Processor Cores", coresString) ? coresString.toInt() : 1; JobObject job; job.setProgram(m_inputGenerator.displayName()); job.setDescription(description); job.setValue("numberOfCores", numCores); for (QMap::const_iterator it = m_textEdits.constBegin(), itEnd = m_textEdits.constEnd(); it != itEnd; ++it) { const QString& fileName = it.key(); if (fileName != mainFileName) job.appendAdditionalInputFile(fileName, it.value()->toPlainText()); else job.setInputFile(fileName, it.value()->toPlainText()); } MoleQueueDialog::SubmitStatus result = MoleQueueDialog::submitJob( this, tr("Submit %1 Calculation").arg(m_inputGenerator.displayName()), job, MoleQueueDialog::WaitForSubmissionResponse | MoleQueueDialog::SelectProgramFromTemplate); switch (result) { default: case MoleQueueDialog::SubmissionSuccessful: case MoleQueueDialog::SubmissionFailed: case MoleQueueDialog::SubmissionAttempted: case MoleQueueDialog::SubmissionAborted: // The dialog handles these cases adequately, we don't need to do // anything. break; case MoleQueueDialog::JobFailed: // Inform the user: QMessageBox::information(this, tr("Job Failed"), tr("The job did not complete successfully."), QMessageBox::Ok); break; case MoleQueueDialog::JobFinished: // Let the world know that the job is ready to open. job has been // overwritten with the final job details. emit openJobOutput(job); // Hide the parent if it's a dialog: if (auto* dlg = qobject_cast(parent())) dlg->hide(); break; } } void InputGeneratorWidget::setWarning(const QString& warn) { qWarning() << tr("Script returns warnings:\n") << warn; m_ui->warningText->setText(warn); m_ui->warningBox->show(); } void InputGeneratorWidget::toggleWarningText() { if (m_ui->warningText->isVisible()) hideWarningText(); else showWarningText(); } void InputGeneratorWidget::showWarningText() { m_ui->warningText->show(); m_ui->warningTextButton->setText(tr("Hide &Warnings")); } void InputGeneratorWidget::hideWarningText() { m_ui->warningText->hide(); m_ui->warningTextButton->setText(tr("Show &Warnings")); } void InputGeneratorWidget::resetWarningDisplay() { m_ui->warningBox->hide(); showWarningText(); } void InputGeneratorWidget::showError(const QString& err) { qWarning() << err; QWidget* theParent = this->isVisible() ? this : qobject_cast(parent()); QDialog dlg(theParent); auto* vbox = new QVBoxLayout(); auto* label = new QLabel(tr("An error has occurred:")); vbox->addWidget(label); auto* textBrowser = new QTextBrowser(); // adjust the size of the text browser to ~80 char wide, ~20 lines high QSize theSize = textBrowser->sizeHint(); QFontMetrics metrics(textBrowser->currentFont()); int charWidth = metrics.horizontalAdvance("i7OPlmWn9/") / 10; int charHeight = metrics.lineSpacing(); theSize.setWidth(80 * charWidth); theSize.setHeight(20 * charHeight); textBrowser->setMinimumSize(theSize); textBrowser->setText(err); vbox->addWidget(textBrowser); dlg.setLayout(vbox); dlg.exec(); } void InputGeneratorWidget::textEditModified() { if (auto* edit = qobject_cast(sender())) { if (edit->document()->isModified()) { if (!m_dirtyTextEdits.contains(edit)) m_dirtyTextEdits << edit; } else { m_dirtyTextEdits.removeOne(edit); } } } void InputGeneratorWidget::updateTitlePlaceholder() { if (auto* titleEdit = qobject_cast(m_widgets.value("Title", nullptr))) { titleEdit->setPlaceholderText(generateJobTitle()); } } QString InputGeneratorWidget::settingsKey(const QString& identifier) const { return QString("quantumInput/%1/%2") .arg(m_inputGenerator.displayName(), identifier); } void InputGeneratorWidget::saveSingleFile(const QString& fileName) { QSettings settings; QString filePath = settings.value(settingsKey("outputDirectory")).toString(); if (filePath.isEmpty()) filePath = QDir::homePath(); filePath = QFileDialog::getSaveFileName(this, tr("Select output filename"), filePath + "/" + fileName); // User cancel: if (filePath.isNull()) return; settings.setValue(settingsKey("outputDirectory"), QFileInfo(filePath).absoluteDir().absolutePath()); QTextEdit* edit = m_textEdits.value(fileName, nullptr); if (!edit) { showError(tr("Internal error: could not find text widget for filename '%1'") .arg(fileName)); return; } QFile file(filePath); bool success = false; if (file.open(QFile::WriteOnly | QFile::Text)) { if (file.write(edit->toPlainText().toLocal8Bit()) > 0) { success = true; } file.close(); } if (!success) { QMessageBox::critical( this, tr("Output Error"), tr("Failed to write to file %1.").arg(file.fileName())); } } void InputGeneratorWidget::saveDirectory() { QSettings settings; QString directory = settings.value(settingsKey("outputDirectory")).toString(); if (directory.isEmpty()) directory = QDir::homePath(); directory = QFileDialog::getExistingDirectory( this, tr("Select output directory"), directory); // User cancel: if (directory.isNull()) return; settings.setValue(settingsKey("outputDirectory"), directory); QDir dir(directory); QStringList fileNames = m_textEdits.keys(); // Check for problems: QStringList errors; bool fatalError = false; do { // Do/while to break on fatal errors if (!dir.exists()) { errors << tr("%1: Directory does not exist!").arg(dir.absolutePath()); fatalError = true; break; } if (!dir.isReadable()) { errors << tr("%1: Directory cannot be read!").arg(dir.absolutePath()); fatalError = true; break; } foreach (const QString& fileName, fileNames) { QFileInfo info(dir.absoluteFilePath(fileName)); if (info.exists()) { errors << tr("%1: File will be overwritten.").arg(info.absoluteFilePath()); } // Attempt to open the file for writing if (!QFile(info.absoluteFilePath()).open(QFile::WriteOnly)) { errors << tr("%1: File is not writable.").arg(info.absoluteFilePath()); fatalError = true; break; } } } while (false); // only run once // Handle fatal errors: if (fatalError) { QString formattedError; switch (errors.size()) { case 0: formattedError = tr("The input files cannot be written due to an unknown error."); break; case 1: formattedError = tr("The input files cannot be written:\n\n%1").arg(errors.first()); break; default: { // If a fatal error occurred, it will be last one in the list. Pop it // off and tell the user that it was the reason we had to stop. QString fatal = errors.last(); QStringList tmp(errors); tmp.pop_back(); formattedError = tr("The input files cannot be written:\n\n%1\n\nWarnings:\n\n%2") .arg(fatal, tmp.join("\n")); break; } } showError(formattedError); return; } // Non-fatal errors: if (!errors.isEmpty()) { QString formattedError = tr("Warning:\n\n%1\n\nWould you like to continue?") .arg(errors.join("\n")); QMessageBox::StandardButton reply = QMessageBox::warning(this, tr("Write input files"), formattedError, QMessageBox::Yes | QMessageBox::No, QMessageBox::No); if (reply != QMessageBox::Yes) return; } foreach (const QString& fileName, fileNames) { QTextEdit* edit = m_textEdits.value(fileName); QFile file(dir.absoluteFilePath(fileName)); bool success = false; if (file.open(QFile::WriteOnly | QFile::Text)) { if (file.write(edit->toPlainText().toLocal8Bit()) > 0) { success = true; } file.close(); } if (!success) { QMessageBox::critical( this, tr("Output Error"), tr("Failed to write to file %1.").arg(file.fileName())); } } } QJsonObject InputGeneratorWidget::promptForBatchJobOptions() const { // Verify that molequeue is running: MoleQueueManager& mqManager = MoleQueueManager::instance(); if (!mqManager.connectIfNeeded()) { QMessageBox::information(this->parentWidget(), tr("Cannot connect to MoleQueue"), tr("Cannot connect to MoleQueue server. Please " "ensure that it is running and try again.")); return QJsonObject(); } QString coresString; int numCores = optionString("Processor Cores", coresString) ? coresString.toInt() : 1; JobObject job; job.setProgram(m_inputGenerator.displayName()); job.setValue("numberOfCores", numCores); if (!MoleQueueDialog::promptForJobOptions(this->parentWidget(), tr("Configure Job"), job)) { return QJsonObject(); } return job.json(); } void InputGeneratorWidget::connectButtons() { connect(m_ui->debugCheckBox, SIGNAL(toggled(bool)), &m_inputGenerator, SLOT(setDebug(bool))); connect(m_ui->debugCheckBox, SIGNAL(toggled(bool)), SLOT(updatePreviewText())); connect(m_ui->defaultsButton, SIGNAL(clicked()), SLOT(defaultsClicked())); connect(m_ui->generateButton, SIGNAL(clicked()), SLOT(generateClicked())); connect(m_ui->closeButton, SIGNAL(clicked()), SIGNAL(closeClicked())); connect(m_ui->warningTextButton, SIGNAL(clicked()), SLOT(toggleWarningText())); // disable the compute button if Molequeue is not running MoleQueueManager& mqManager = MoleQueueManager::instance(); if (!mqManager.connectIfNeeded()) { m_ui->computeButton->setEnabled(false); } else { connect(m_ui->computeButton, SIGNAL(clicked()), SLOT(computeClicked())); } } void InputGeneratorWidget::updateOptions() { m_options = m_inputGenerator.options(); if (m_inputGenerator.hasErrors()) { showError(m_inputGenerator.errorList().join("\n\n")); m_inputGenerator.clearErrors(); } m_centralWidget = m_ui->optionsWidget; // Create the widgets, etc for the gui buildOptionGui(); setOptionDefaults(); } } // namespace Avogadro::MoleQueue avogadrolibs-1.100.0/avogadro/molequeue/inputgeneratorwidget.h000066400000000000000000000135131474375334400245740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_MOLEQUEUE_INPUTGENERATORWIDGET_H #define AVOGADRO_MOLEQUEUE_INPUTGENERATORWIDGET_H #include #include #include #include "inputgenerator.h" class QJsonValue; class QTextEdit; class QWidget; class QFormLayout; namespace Avogadro { namespace QtGui { class Molecule; } namespace MoleQueue { class JobObject; namespace Ui { class InputGeneratorWidget; } class BatchJob; /** * @class InputGeneratorWidget inputgeneratorwidget.h * * @brief The InputGeneratorWidget class provides a user interface for * configuring, saving, editing, and running input files produced by * InputGenerator scripts. * @sa InputGenerator InputGeneratorDialog * * The InputGeneratorWidget creates a GUI to represent the options given by an * input generator script, and has some utilities for job submission through * MoleQueue. * * By default, the widget will configure input files for a single molecule, * which can be either written to disk or submitted for processing with * MoleQueue. * * By enabling batch mode (setBatchMode()), the current molecule is used to * configure a calculation for submission to MoleQueue, and the parameters are * saved. These may be used to configure and submit jobs for other molecules. */ class AVOGADROMOLEQUEUE_EXPORT InputGeneratorWidget : public QtGui::JsonWidget { Q_OBJECT public: /** * Construct a widget that dynamically generates a GUI to configure the * InputGenerator script specified by scriptFilePath. */ explicit InputGeneratorWidget(QWidget* parent_ = nullptr); ~InputGeneratorWidget() override; /** * Use the input generator script pointed to by scriptFilePath. * @param scriptFilePath Absolute path to generator script. */ void setInputGeneratorScript(const QString& scriptFilePath); /** * Access to the underlying input generator object. @{ */ const InputGenerator& inputGenerator() const { return m_inputGenerator; } /** * @return True if the widget is in batch mode. See the class documentation * for details. Default is false. */ bool batchMode() const { return m_batchMode; } /** * Collect the current calculation parameters and prompt for MoleQueue * options. Both option sets are stored in @a batch. */ bool configureBatchJob(BatchJob& batch) const; void setMolecule(QtGui::Molecule* mol) override; public slots: /** * Enable/disable 'template mode'. See the class documentation for details. * Default is off. */ void setBatchMode(bool m); signals: /** * @brief closeClicked is emitted when the close button is clicked. */ void closeClicked(); /** * Emitted when the user requests that a job's output be loaded in Avogadro. */ void openJobOutput(const JobObject& job); protected: /** * Reimplemented to update preview text. Hidden dialogs will wait until they * are reshown to update the text to prevent overwriting any modified buffers. */ void showEvent(QShowEvent* e) override; void updateOptions() override; private slots: /** * Update the input files. This method is throttled, and will only call the * generator script once every 250 milliseconds. */ void updatePreviewText(); /** * Immediately update the input files, bypassing (and resetting) the throttle * mechanism. */ void updatePreviewTextImmediately(); /** * Triggered when the user resets the default values. */ void defaultsClicked(); /** * Triggered when the user requests that the files are written to disk. */ void generateClicked(); /** * Triggered when the user requests that the simulation is submitted to * MoleQueue. */ void computeClicked(); /** * Show the user an warning. These are messages returned by the input * generator script. */ void setWarning(const QString& warn); /** * Toggle the visibility of the warning text. */ void toggleWarningText(); /** * Show the warning text. */ void showWarningText(); /** * Hide the warning text. */ void hideWarningText(); /** * Hide the warning widget. */ void resetWarningDisplay(); /** * Show the user an error message. These are errors that have occurred * in this extension, not necessarily in the input generator script. */ void showError(const QString& err); /** * Triggered when an input file's text edit is modified. */ void textEditModified(); /** * Generate a job title automatically. */ void updateTitlePlaceholder(); private: /** * Generate a QSettings key with the given identifier that is unique to this * input generator's display name. * @param identifier Setting key, e.g. "outputPath" * @return Script-specific key, e.g. "quantumInput/GAMESS/outputPath" * @todo Display names are not necessarily unique, but paths are too long. * Maybe add a namespace qualifier to the script display names? */ QString settingsKey(const QString& identifier) const; /** * Write the input file(s) to disk. Prompts user for target location. * @{ */ void saveSingleFile(const QString& fileName); void saveDirectory(); /**@}*/ /** Get batch job options from MoleQueueDialog. */ QJsonObject promptForBatchJobOptions() const; /** * Make signal/slot connections. */ void connectButtons(); Ui::InputGeneratorWidget* m_ui; bool m_updatePending; QList m_dirtyTextEdits; InputGenerator m_inputGenerator; }; } // namespace MoleQueue } // namespace Avogadro #endif // AVOGADRO_MOLEQUEUE_INPUTGENERATORWIDGET_H avogadrolibs-1.100.0/avogadro/molequeue/inputgeneratorwidget.ui000066400000000000000000000072171474375334400247660ustar00rootroot00000000000000 Avogadro::MoleQueue::InputGeneratorWidget 0 0 813 650 Form 0 0 Calculation Settings 0 0 Qt::Horizontal 40 20 Placeholder text… true Reset Debug Script… Qt::Horizontal QSizePolicy::MinimumExpanding 13 20 Submit Calculation… Save Input… Close avogadrolibs-1.100.0/avogadro/molequeue/molequeuedialog.cpp000066400000000000000000000147371474375334400240470ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "molequeuedialog.h" #include "molequeuewidget.h" #include "ui_molequeuedialog.h" #include #include #include #include namespace Avogadro::MoleQueue { MoleQueueDialog::MoleQueueDialog(QWidget* parent_) : QDialog(parent_), m_ui(new Ui::MoleQueueDialog) { m_ui->setupUi(this); } MoleQueueDialog::~MoleQueueDialog() { delete m_ui; } MoleQueueDialog::SubmitStatus MoleQueueDialog::submitJob( QWidget* parent_, const QString& caption, JobObject& jobTemplate, SubmitOptions options, unsigned int* moleQueueId, int* submissionRequestId) { // initialize return args if (moleQueueId) *moleQueueId = MoleQueueWidget::InvalidMoleQueueId; if (submissionRequestId) *submissionRequestId = -1; MoleQueueDialog dlg(parent_); dlg.setWindowTitle(caption); dlg.widget().setJobTemplate(jobTemplate); if (options & SelectProgramFromTemplate) dlg.widget().showAndSelectProgram(jobTemplate.program()); for (;;) { int dlgResult = dlg.exec(); if (dlgResult != QDialog::Accepted) return SubmissionAborted; int requestId = dlg.widget().submitJobRequest(); if (options & WaitForSubmissionResponse || dlg.widget().openOutput()) { QProgressDialog progress; progress.setCancelButton(nullptr); progress.setLabelText(tr("Submitting job to MoleQueue…")); progress.setRange(0, 0); progress.setValue(0); progress.show(); QList submittedSignal; submittedSignal << MetaMethod(&dlg.widget(), SIGNAL(jobSubmitted(bool))); if (!dlg.waitForSignal(submittedSignal)) { progress.hide(); QMessageBox::information(&dlg, tr("Job Submission Timeout"), tr("Avogadro timed out waiting for a reply " "from MoleQueue.")); continue; } if (dlg.widget().submissionSuccess()) { if (submissionRequestId != nullptr) *submissionRequestId = dlg.widget().requestId(); if (moleQueueId != nullptr) *moleQueueId = dlg.widget().moleQueueId(); // Do we need to wait for the job to finish? if (!dlg.widget().openOutput()) return SubmissionSuccessful; // Update progress dialog progress.setLabelText(tr("Waiting for job %1 “%2” to finish…", "%1 = job ID, %2 = description") .arg(dlg.widget().moleQueueId()) .arg(jobTemplate.description())); progress.setCancelButtonText(tr("Stop waiting")); // Wait for job completion or progress bar cancellation. QList completionSignals; completionSignals << MetaMethod(&dlg.widget(), SIGNAL(jobFinished(bool))) << MetaMethod(&progress, SIGNAL(canceled())); dlg.waitForSignal(completionSignals, -1); // Did the user cancel? if (progress.wasCanceled()) return SubmissionSuccessful; // Error occurred: if (!dlg.widget().jobSuccess()) return JobFailed; // Update progress bar: progress.setLabelText(tr("Fetching completed job information…")); progress.setCancelButton(nullptr); // Job completed -- overwrite job template with updated job details. connect(&dlg.widget(), SIGNAL(jobUpdated(MoleQueue::JobObject)), &dlg.widget(), SLOT(setJobTemplate(MoleQueue::JobObject))); QList lookupSignal; lookupSignal << MetaMethod(&dlg.widget(), SIGNAL(jobUpdated(MoleQueue::JobObject))); dlg.widget().requestJobLookup(); if (!dlg.waitForSignal(lookupSignal)) { progress.hide(); QMessageBox::information(&dlg, tr("Job Retrieval Timeout"), tr("Avogadro timed out waiting for the " "finished job details from MoleQueue.")); return JobFailed; } jobTemplate = dlg.widget().jobTemplate(); return JobFinished; } else { progress.hide(); QMessageBox::warning(&dlg, tr("Error Submitting Job"), tr("The job has been rejected by MoleQueue: %1", "%1 = error") .arg(dlg.widget().submissionError())); continue; } } else { if (requestId >= 0) { if (submissionRequestId != nullptr) *submissionRequestId = requestId; return SubmissionAttempted; } else { return SubmissionFailed; } } } } bool MoleQueueDialog::promptForJobOptions(QWidget* windowParent, const QString& caption, MoleQueue::JobObject& jobTemplate) { MoleQueueDialog dlg(windowParent); dlg.setWindowTitle(caption); dlg.widget().setBatchMode(true); dlg.widget().setJobTemplate(jobTemplate); if (!jobTemplate.program().isEmpty()) dlg.widget().showAndSelectProgram(jobTemplate.program()); if (static_cast(dlg.exec()) != Accepted) return false; jobTemplate = dlg.widget().configuredJob(); return true; } MoleQueueWidget& MoleQueueDialog::widget() { return *m_ui->widget; } const MoleQueueWidget& MoleQueueDialog::widget() const { return *m_ui->widget; } bool MoleQueueDialog::waitForSignal(const QList& signalList, int msTimeout) const { QEventLoop waiter; foreach (const MetaMethod& sig, signalList) connect(sig.first, sig.second, &waiter, SLOT(quit())); QTimer limiter; if (msTimeout >= 0) { limiter.setSingleShot(true); connect(&limiter, SIGNAL(timeout()), &waiter, SLOT(quit())); limiter.start(msTimeout); } waiter.exec(); return limiter.isActive(); } void MoleQueueDialog::done(int r) { if (r == QDialog::Accepted && !widget().programSelected()) { QMessageBox::information(parentWidget(), tr("No program selected."), tr("Please select the target program from the " "\"Queue and Program\" list.")); } else { QDialog::done(r); } } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/molequeue/molequeuedialog.h000066400000000000000000000134501474375334400235030ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_MOLEQUEUE_MOLEQUEUEDIALOG_H #define AVOGADRO_MOLEQUEUE_MOLEQUEUEDIALOG_H #include "avogadromolequeueexport.h" #include #include namespace Avogadro::MoleQueue { class JobObject; class MoleQueueWidget; namespace Ui { class MoleQueueDialog; } /** * @class MoleQueueDialog molequeuedialog.h * * @brief The MoleQueueDialog class provides a thin wrapper around * MoleQueueWidget for standalone use. * @sa MoleQueueWidget MoleQueueManager */ class AVOGADROMOLEQUEUE_EXPORT MoleQueueDialog : public QDialog { Q_OBJECT public: explicit MoleQueueDialog(QWidget* parent_ = nullptr); ~MoleQueueDialog() override; /** * @brief Options controlling job submission behavior in the submitJob method. */ enum SubmitOption { /** * Keep the dialog open until MoleQueue replies to the submission request. * If a submission error occurs, the user will have to opportunity to fix * it. */ WaitForSubmissionResponse = 0x1, /** * Use the program in the template job to initialize the queue/program view. * All queues containing a matching program will be expanded, and the first * match will be selected. * To match, an existing program must contain the template program string, * and comparisons are case insensitive. */ SelectProgramFromTemplate = 0x2 }; Q_DECLARE_FLAGS(SubmitOptions, SubmitOption) /** * @brief Return values from submitJob indicating result. */ enum SubmitStatus { /** * The job was accepted by MoleQueue. * This can only be returned when WaitForSubmissionResponse IS set as an * option. */ SubmissionSuccessful = 0, /** * The job was not submitted to MoleQueue, likely due to a disconnected * server. * This can only be returned when WaitForSubmissionResponse IS NOT * set as an option. */ SubmissionFailed, /** * The job was submitted to MoleQueue. This can only be returned when * WaitForSubmissionResponse is NOT set as an option. */ SubmissionAttempted, /** * The user canceled the submission. */ SubmissionAborted, /** * The user requested that the job output be opened when finished, but * the job did not finish successfully (the job was either canceled or * failed). */ JobFailed, /** * The user requested that the job output be opened when finished, and * the job completed without error. The jobTemplate argument of * submitJob will be overwritten with the current job details, fetched * from the server after the job enters the "Finished" state. */ JobFinished }; /** * Show a job configuration dialog and let the user submit the job to * MoleQueue. * @param parent_ The parent widget for parenting/layout purposes. * @param caption The dialog title. * @param jobTemplate A template job, used to initialize GUI options. If * the user requests that the job output is opened and the job finishes * successfully, this will be overwritten with the current job details, and * JobFinished is returned. * @param options Bitwise combination of flags that control dialog behavior. * @param moleQueueId If not nullptr, the variable referenced by this pointer * will be overwritten by the MoleQueue Id of the submitted job when the * option WaitForSubmissionResponse is set. * If an error occurs or the required option is not set, this value will be * set to MoleQueueWidget::InvalidMoleQueueId. * @param submissionRequestId If not nullptr, the variable referenced by this * pointer will be overwritten by the submitJob JSON-RPC 2.0 request id. * If an error occurs, this value will be set to -1. * @return A SubmitStatus enum value indicating the result of the submission. */ static SubmitStatus submitJob(QWidget* parent_, const QString& caption, JobObject& jobTemplate, SubmitOptions options, unsigned int* moleQueueId = nullptr, int* submissionRequestId = nullptr); /** * Show a job configuration dialog and collect the user's selected options. * @param windowParent The parent of the dialog window. * @param caption Title of the dialog window. * @param jobTemplate JobObject with initial options. Will be overwritten * with the configured job options. * @return True on success, false otherwise. */ static bool promptForJobOptions(QWidget* windowParent, const QString& caption, JobObject& jobTemplate); /** * @return A reference to the internal MoleQueueWidget instance. * @{ */ MoleQueueWidget& widget(); const MoleQueueWidget& widget() const; /** @} */ public slots: void done(int r) override; private: using MetaMethod = QPair; /** * Wait @a timeout milliseconds for @a source to emit @a signal. * @param signalList List of QObject* and const char* (signals) to listen for. * @param msTimeout Timeout in milliseconds. A negative value will wait * forever. * @return True if a signal in @a signalList is received, false on timeout. */ bool waitForSignal(const QList& signalList, int msTimeout = 5000) const; Ui::MoleQueueDialog* m_ui; }; Q_DECLARE_OPERATORS_FOR_FLAGS(MoleQueueDialog::SubmitOptions) } // namespace Avogadro::MoleQueue #endif // AVOGADRO_MOLEQUEUE_MOLEQUEUEDIALOG_H avogadrolibs-1.100.0/avogadro/molequeue/molequeuedialog.ui000066400000000000000000000035401474375334400236700ustar00rootroot00000000000000 Avogadro::MoleQueue::MoleQueueDialog 0 0 400 300 Dialog Qt::Horizontal QDialogButtonBox::Cancel|QDialogButtonBox::Ok Avogadro::MoleQueue::MoleQueueWidget QWidget
avogadro/molequeue/molequeuewidget.h
1 buttonBox accepted() Avogadro::MoleQueue::MoleQueueDialog accept() 248 254 157 274 buttonBox rejected() Avogadro::MoleQueue::MoleQueueDialog reject() 316 260 286 274 avogadrolibs-1.100.0/avogadro/molequeue/molequeuemanager.cpp000066400000000000000000000033341474375334400242110ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "molequeuemanager.h" namespace Avogadro::MoleQueue { MoleQueueManager* MoleQueueManager::m_instance = nullptr; MoleQueueManager::MoleQueueManager(QObject* parent_) : QObject(parent_), m_client(this), m_queueModel(this) { connect(&m_client, SIGNAL(queueListReceived(QJsonObject)), SLOT(updateQueueModel(QJsonObject))); } MoleQueueManager& MoleQueueManager::instance() { return m_instance ? *m_instance : *(m_instance = new MoleQueueManager()); } bool MoleQueueManager::connectIfNeeded() { return m_client.isConnected() || m_client.connectToServer(); } Client& MoleQueueManager::client() { return m_client; } const Client& MoleQueueManager::client() const { return m_client; } MoleQueueQueueListModel& MoleQueueManager::queueListModel() { return m_queueModel; } bool MoleQueueManager::requestQueueList() { return m_client.isConnected() && m_client.requestQueueList() >= 0; } void MoleQueueManager::updateQueueModel(const QJsonObject& json) { QList queueList; QList programList; foreach (const QString& queue, json.keys()) { queueList.append(queue); programList.append(QStringList()); QStringList& progs = programList.back(); foreach (const QJsonValue& program, json.value(queue).toArray()) { if (program.isString()) progs << program.toString(); } } m_queueModel.setQueueList(queueList, programList); emit queueListUpdated(); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/molequeue/molequeuemanager.h000066400000000000000000000045501474375334400236570ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_MOLEQUEUE_MOLEQUEUEMANAGER_H #define AVOGADRO_MOLEQUEUE_MOLEQUEUEMANAGER_H #include #include "molequeuequeuelistmodel.h" #include #include "client/client.h" namespace Avogadro::MoleQueue { /** * @class MoleQueueManager molequeuemanager.h * * @brief The MoleQueueManager class provides access to a MoleQueue server. * * This singleton class provides access to a single MoleQueue::Client instance * that can be used to communicate with the server. The available queues and * programs are cached in a MoleQueueQueueListModel (queueListModel()). The * connectIfNeeded convenience function can be used to ensure that the client * is connected before use. */ class AVOGADROMOLEQUEUE_EXPORT MoleQueueManager : public QObject { Q_OBJECT public: explicit MoleQueueManager(QObject* parent_ = nullptr); ~MoleQueueManager() override = default; /** * @return The singleton instance. */ static MoleQueueManager& instance(); /** * Test if the client is connected, and if not, attempt a connection. * @return True if the client is already connected or a new connection has * been successfully created. False if the new connection failed. */ bool connectIfNeeded(); /** * @return A reference to the managed Client instance. * @{ */ Client& client(); const Client& client() const; /** @} */ /** * @return A QAbstractItemModel subclass representing the queue/program tree. */ MoleQueueQueueListModel& queueListModel(); public slots: /** * Request that the cached queue list is updated. * @return True if the request is send successfully. */ bool requestQueueList(); signals: /** * Emitted when the internal queue list is updated. */ void queueListUpdated(); private slots: void updateQueueModel(const QJsonObject& queueList); private: static MoleQueueManager* m_instance; Client m_client; MoleQueueQueueListModel m_queueModel; }; } // namespace Avogadro::MoleQueue #endif // AVOGADRO_MOLEQUEUE_MOLEQUEUEMANAGER_H avogadrolibs-1.100.0/avogadro/molequeue/molequeuequeuelistmodel.cpp000066400000000000000000000246331474375334400256450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "molequeuequeuelistmodel.h" #include #include namespace Avogadro::MoleQueue { namespace { // Internal id used for queue model indices static const quint32 QueueInternalId(std::numeric_limits::max()); // Internal id used for invalid indices static const quint32 InvalidInternalId(std::numeric_limits::max() - 1); // Maximum assignable internal id. Must be last: static const quint32 MaxInternalId(std::numeric_limits::max() - 2); } MoleQueueQueueListModel::MoleQueueQueueListModel(QObject* parent_) : QAbstractItemModel(parent_), m_uidCounter(0) { } void MoleQueueQueueListModel::setQueueList(QList queueList, QList programList) { const int numQueues = queueList.size(); if (numQueues != programList.size()) { qWarning() << "Error setting molequeue queuelist data in model: " "number of queues does not match size of program table."; return; } // Sync our data structures with the arguments: int newInd = 0; int oldInd = 0; while (newInd < queueList.size() && oldInd < m_queueList.size()) { const QString& newQueue = queueList[newInd]; const QString& oldQueue = m_queueList[oldInd]; if (newQueue < oldQueue) { const QStringList& newProgs = programList[newInd]; insertQueue(oldInd, newQueue, newProgs); ++oldInd; ++newInd; } else if (oldQueue < newQueue) { removeQueue(oldInd); } else { // newQueue == oldQueue const QStringList& newProgs = programList[newInd]; mergeQueue(oldInd, newProgs); ++oldInd; ++newInd; } } // Add any remaining new queues for (; newInd < queueList.size(); ++newInd, ++oldInd) insertQueue(m_queueList.size(), queueList[newInd], programList[newInd]); // or remove any stale old queues. while (oldInd < m_queueList.size()) removeQueue(oldInd); } QStringList MoleQueueQueueListModel::queues() const { return m_queueList; } QStringList MoleQueueQueueListModel::programs(const QString& queue) const { int ind = m_queueList.indexOf(queue); return ind >= 0 ? m_programList[ind] : QStringList(); } QModelIndexList MoleQueueQueueListModel::findQueueIndices( const QString& filter) const { return match(index(0, 0), Qt::DisplayRole, filter, -1, Qt::MatchContains); } QModelIndexList MoleQueueQueueListModel::findProgramIndices( const QString& programFilter, const QString& queueFilter) const { QModelIndexList result; foreach (const QModelIndex& idx, findQueueIndices(queueFilter)) { result << match(index(0, 0, idx), Qt::DisplayRole, programFilter, -1, Qt::MatchContains); } return result; } bool MoleQueueQueueListModel::lookupProgram(const QModelIndex& idx, QString& queueName, QString& programName) const { QVariant resultVariant = data(idx, QueueProgramRole); if (resultVariant.type() == QVariant::StringList) { QStringList resultList(resultVariant.toStringList()); if (resultList.size() == 2) { queueName = resultList[0]; programName = resultList[1]; return true; } } queueName.clear(); programName.clear(); return false; } QVariant MoleQueueQueueListModel::data(const QModelIndex& idx, int role) const { if (!idx.isValid() || (role != Qt::DisplayRole && role != QueueProgramRole)) { return QVariant(); } if (isQueueIndex(idx)) { if (role == Qt::DisplayRole) { return m_queueList[idx.row()]; } } else { const int queueIndex(idx.parent().row()); if (queueIndex < m_queueList.size()) { const QStringList& progs(m_programList[queueIndex]); if (idx.row() < progs.size()) { const QString& prog(progs[idx.row()]); switch (role) { case Qt::DisplayRole: return prog; case QueueProgramRole: { QStringList result = m_uidLookup.value( static_cast(idx.internalId()), QStringList()); if (result.size() == 2) return result; break; } default: break; } } } } return QVariant(); } Qt::ItemFlags MoleQueueQueueListModel::flags(const QModelIndex& idx) const { if (!idx.isValid()) return Qt::NoItemFlags; if (isQueueIndex(idx)) return Qt::ItemIsEnabled; else return Qt::ItemIsSelectable | Qt::ItemIsEnabled; } QVariant MoleQueueQueueListModel::headerData(int, Qt::Orientation, int) const { return QVariant(); } QModelIndex MoleQueueQueueListModel::index(int row, int column, const QModelIndex& parent_) const { if (!hasIndex(row, column, parent_)) return QModelIndex(); // Queue Index -- parent is invalid. if (!parent_.isValid() && row < m_queueList.size() && column == 0) { return createIndex(row, column, QueueInternalId); } // Program index else if (isQueueIndex(parent_)) { const QStringList& progs(m_programList[parent_.row()]); if (row < progs.size() && column == 0) { const QString& queue(m_queueList[parent_.row()]); const QString& prog(progs[row]); QStringList val = QStringList() << queue << prog; quint32 key = m_uidLookup.key(val, InvalidInternalId); if (key != InvalidInternalId) return createIndex(row, column, key); } } // fail. return QModelIndex(); } QModelIndex MoleQueueQueueListModel::parent(const QModelIndex& child) const { if (child.isValid()) { const auto childId = static_cast(child.internalId()); // Child is queue -- return invalid parent. if (childId == QueueInternalId) return QModelIndex(); // Child is program -- lookup and return queue index. const int queueRow = programUidToQueueRow(childId); if (queueRow >= 0) return createIndex(queueRow, 0, QueueInternalId); } return QModelIndex(); } int MoleQueueQueueListModel::rowCount(const QModelIndex& parent_) const { // Queue count: if (!parent_.isValid()) return m_queueList.size(); else if (isQueueIndex(parent_)) return m_programList[parent_.row()].size(); return 0; } int MoleQueueQueueListModel::columnCount(const QModelIndex& parent_) const { return (!parent_.isValid() || isQueueIndex(parent_)) ? 1 : 0; } void MoleQueueQueueListModel::insertQueue(int row, const QString& queue, const QStringList& progs) { beginInsertRows(QModelIndex(), row, row); m_queueList.insert(row, queue); m_programList.insert(row, QStringList()); endInsertRows(); beginInsertRows(createIndex(row, 0, QueueInternalId), 0, progs.size() - 1); m_programList[row] = progs; foreach (const QString& progName, progs) m_uidLookup.insert(nextUid(), QStringList() << queue << progName); endInsertRows(); } void MoleQueueQueueListModel::removeQueue(int row) { const QString queue(m_queueList[row]); QStringList& progs = m_programList[row]; beginRemoveRows(createIndex(row, 0, QueueInternalId), 0, progs.size() - 1); foreach (const QString& prog, progs) m_uidLookup.remove(lookupUid(queue, prog)); progs.clear(); endRemoveRows(); beginRemoveRows(QModelIndex(), row, row); m_queueList.removeAt(row); m_programList.removeAt(row); endRemoveRows(); } void MoleQueueQueueListModel::mergeQueue(int row, const QStringList& newProgs) { QStringList& oldProgs(m_programList[row]); int oldInd = 0; int newInd = 0; while (oldInd < oldProgs.size() && newInd < newProgs.size()) { const QString& oldProg(oldProgs[oldInd]); const QString& newProg(newProgs[newInd]); if (newProg < oldProg) { insertProgram(row, oldInd, newProg); ++newInd; ++oldInd; } else if (oldProg < newProg) { removeProgram(row, oldInd); } else { // Program exists ++newInd; ++oldInd; } } // Add any remaining new programs for (; newInd < newProgs.size(); ++newInd, ++oldInd) insertProgram(row, m_programList[row].size(), newProgs[newInd]); // Or remove any old programs. while (oldInd < m_programList[row].size()) removeProgram(row, oldInd); } void MoleQueueQueueListModel::insertProgram(int queueRow, int progRow, const QString& progName) { beginInsertRows(createIndex(queueRow, 0, QueueInternalId), progRow, progRow); m_programList[queueRow].insert(progRow, progName); m_uidLookup.insert(nextUid(), QStringList() << m_queueList[queueRow] << progName); endInsertRows(); } void MoleQueueQueueListModel::removeProgram(int queueRow, int progRow) { beginRemoveRows(createIndex(queueRow, 0, QueueInternalId), progRow, progRow); m_uidLookup.remove(lookupUid(queueRow, progRow)); m_programList[queueRow].removeAt(progRow); endRemoveRows(); } bool MoleQueueQueueListModel::isQueueIndex(const QModelIndex& i) const { return i.isValid() && static_cast(i.internalId()) == QueueInternalId && i.row() < m_queueList.size() && i.column() == 0; } bool MoleQueueQueueListModel::isProgramIndex(const QModelIndex& i) const { return i.isValid() && m_uidLookup.contains(static_cast(i.internalId())); } quint32 MoleQueueQueueListModel::lookupUid(const QString& queue, const QString& prog) { return m_uidLookup.key(QStringList() << queue << prog, InvalidInternalId); } quint32 MoleQueueQueueListModel::lookupUid(const int queueRow, const int progRow) { if (queueRow < m_queueList.size()) { QStringList& progs = m_programList[queueRow]; if (progRow < progs.size()) return lookupUid(m_queueList[queueRow], progs[progRow]); } return InvalidInternalId; } int MoleQueueQueueListModel::programUidToQueueRow(quint32 uid) const { const QStringList val(m_uidLookup.value(uid, QStringList())); if (val.size() == 2) { const QString& queue = val[0]; const int queueRow = m_queueList.indexOf(queue); if (queueRow >= 0) return queueRow; } return -1; } quint32 MoleQueueQueueListModel::nextUid() { if (m_uidCounter++ >= MaxInternalId) m_uidCounter = 0; return m_uidCounter; } } // namespace Avogadro::MoleQueue avogadrolibs-1.100.0/avogadro/molequeue/molequeuequeuelistmodel.h000066400000000000000000000121101474375334400252750ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_MOLEQUEUE_MOLEQUEUEQUEUELISTMODEL_H #define AVOGADRO_MOLEQUEUE_MOLEQUEUEQUEUELISTMODEL_H #include "avogadromolequeueexport.h" #include #include // for gtest unit testing access class MoleQueueQueueListModelTestBridge; namespace Avogadro::MoleQueue { class MoleQueueManager; /** * @class MoleQueueQueueListModel molequeuequeuelistmodel.h * * @brief The MoleQueueQueueListModel class is Qt item model representing the * tree of available queues and programs in a running MoleQueue process. * * This class provides access to the available MoleQueue queues and programs in * a convenient tree item model. Resources can be queried directly using the * queues() and programs() methods, or this item model may be used with a Qt * model view class, such a QTreeView. * * QModelIndex objects that match a queue or program node may be found using the * findQueueIndices() and findProgramIndices() methods. A program model index * may be translated into queue and program strings using the lookupProgram() * method. * * An instance of this class is obtained by calling * MoleQueueManager::instance().queueListModel(), and can be updated by calling * MoleQueueManager::instance().requestQueueList() and waiting for the * MoleQueueManager::queueListUpdated() signal. */ class AVOGADROMOLEQUEUE_EXPORT MoleQueueQueueListModel : public QAbstractItemModel { Q_OBJECT public: ~MoleQueueQueueListModel() override = default; /** * @return A list of the available queues. */ QStringList queues() const; /** * @return A list of programs belonging to @a queue. */ QStringList programs(const QString& queue) const; /** * @return A QModelIndexList containing indices for queues that contain the * string @a filter. Matches are case-insensitive. */ QModelIndexList findQueueIndices(const QString& filter = QString()) const; /** * @return A QModelIndexList containing indices for programs that contain the * string @a programFilter and belong to queues that contain @a queueFilter. * Matches are case-insensitive. */ QModelIndexList findProgramIndices( const QString& programFilter = QString(), const QString& queueFilter = QString()) const; /** * Translate a QModelIndex for a program node into queue and program strings. * @param idx The model index. * @param queueName String reference to be overwritten with the queue name. * @param programName String reference to be overwritten with the queue name. * @return True if the index matched a program node, false otherwise. */ bool lookupProgram(const QModelIndex& idx, QString& queueName, QString& programName) const; // QAbstractItemModel virtuals QVariant data(const QModelIndex& idx, int role) const override; Qt::ItemFlags flags(const QModelIndex& idx = QModelIndex()) const override; QVariant headerData(int section, Qt::Orientation orientation, int role) const override; QModelIndex index(int row, int column, const QModelIndex& parent_ = QModelIndex()) const override; QModelIndex parent(const QModelIndex& child) const override; int rowCount(const QModelIndex& parent_ = QModelIndex()) const override; int columnCount(const QModelIndex& parent_ = QModelIndex()) const override; protected: friend class MoleQueueManager; friend class ::MoleQueueQueueListModelTestBridge; /** * Protected constructor. Keeps objects isolated to MoleQueueManager ivars. */ explicit MoleQueueQueueListModel(QObject* parent_ = nullptr); /** * Used to retrieve a QStringList with [queueName, programName] from data() * given a program model index. */ enum { QueueProgramRole = Qt::UserRole }; /** * Merge the queue and program lists with the existing model. */ void setQueueList(QList queueList, QList programList); private: void insertQueue(int row, const QString& queue, const QStringList& progs); void removeQueue(int row); void mergeQueue(int row, const QStringList& newProgs); void insertProgram(int queueRow, int progRow, const QString& progName); void removeProgram(int queueRow, int progRow); bool isQueueIndex(const QModelIndex& i) const; bool isProgramIndex(const QModelIndex& i) const; quint32 lookupUid(const QString& queue, const QString& prog); quint32 lookupUid(const int queueRow, const int progRow); int programUidToQueueRow(quint32 uid) const; quint32 nextUid(); QList m_queueList; QList m_programList; // maps program index internal id to [queueName, programName] QStringList QMap m_uidLookup; quint32 m_uidCounter; }; } // namespace Avogadro::MoleQueue #endif // AVOGADRO_MOLEQUEUE_MOLEQUEUEQUEUELISTMODEL_H avogadrolibs-1.100.0/avogadro/molequeue/molequeuewidget.cpp000066400000000000000000000216611474375334400240650ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "molequeuewidget.h" #include "ui_molequeuewidget.h" #include "molequeuemanager.h" #include #include #include namespace Avogadro::MoleQueue { const unsigned int MoleQueueWidget::InvalidMoleQueueId( std::numeric_limits::max()); MoleQueueWidget::MoleQueueWidget(QWidget* parent_) : QWidget(parent_), m_ui(new Ui::MoleQueueWidget), m_jobState("Unknown"), m_requestId(-1), m_moleQueueId(InvalidMoleQueueId) { m_ui->setupUi(this); connect(m_ui->refreshProgramsButton, SIGNAL(clicked()), SLOT(refreshPrograms())); MoleQueueManager& mqManager = MoleQueueManager::instance(); m_ui->queueListView->setModel(&mqManager.queueListModel()); if (mqManager.connectIfNeeded()) mqManager.requestQueueList(); } MoleQueueWidget::~MoleQueueWidget() { delete m_ui; } JobObject& MoleQueueWidget::jobTemplate() { return m_jobTemplate; } const JobObject& MoleQueueWidget::jobTemplate() const { return m_jobTemplate; } void MoleQueueWidget::setJobTemplate(const JobObject& job) { m_jobTemplate = job; m_ui->numberOfCores->setValue(job.value("numberOfCores", 1).toInt()); m_ui->cleanRemoteFiles->setChecked( job.value("cleanRemoteFiles", false).toBool()); m_ui->hideFromGui->setChecked(job.value("hideFromGui", false).toBool()); m_ui->popupOnStateChange->setChecked( job.value("popupOnStateChange", false).toBool()); } void MoleQueueWidget::refreshPrograms() { MoleQueueManager& mqManager = MoleQueueManager::instance(); if (!mqManager.connectIfNeeded()) { QMessageBox::information(this, tr("Cannot connect to MoleQueue"), tr("Cannot connect to MoleQueue server. Please " "ensure that it is running and try again.")); return; } mqManager.requestQueueList(); } int MoleQueueWidget::submitJobRequest() { m_submissionError.clear(); m_jobState = "Unknown"; m_requestId = -1; m_moleQueueId = InvalidMoleQueueId; MoleQueueManager& mqManager = MoleQueueManager::instance(); if (!mqManager.connectIfNeeded()) return -1; MoleQueue::JobObject job(configuredJob()); if (job.queue().isEmpty()) // if the queue is not set, the job config failed. return -1; m_requestId = mqManager.client().submitJob(job); if (m_requestId >= 0) { listenForJobSubmitReply(); listenForJobStateChange(); } else { m_submissionError = tr("Client failed to submit job to MoleQueue."); // Single shot ensures that this signal is emitted after control returns // to the event loop QTimer::singleShot(0, this, SIGNAL(jobSubmitted(false))); } return m_requestId; } void MoleQueueWidget::showAndSelectProgram(const QString& programName) { MoleQueueManager& mqManager = MoleQueueManager::instance(); setProperty("selectProgramName", programName); connect(&mqManager, SIGNAL(queueListUpdated()), SLOT(showAndSelectProgramHandler())); if (mqManager.connectIfNeeded()) mqManager.requestQueueList(); } bool MoleQueueWidget::openOutput() const { return m_ui->openOutput->isChecked(); } bool MoleQueueWidget::requestJobLookup() { MoleQueueManager& mqManager = MoleQueueManager::instance(); if (m_moleQueueId != InvalidMoleQueueId && mqManager.connectIfNeeded()) { listenForLookupJobReply(); int reqId = mqManager.client().lookupJob(m_moleQueueId); setProperty("lookupJobRequestId", reqId); return true; } return false; } MoleQueue::JobObject MoleQueueWidget::configuredJob() const { MoleQueueManager& mqManager = MoleQueueManager::instance(); // get queue/program QModelIndexList sel(m_ui->queueListView->selectionModel()->selectedIndexes()); if (sel.size() < 1) { QMessageBox::information(parentWidget(), tr("No program selected."), tr("Please select the target program from the " "\"Queue and Program\" list.")); return MoleQueue::JobObject(); } QString queue; QString program; if (!mqManager.queueListModel().lookupProgram(sel.first(), queue, program)) { QMessageBox::critical(parentWidget(), tr("Internal error."), tr("Unable to resolve program selection. This is " "a bug.")); return MoleQueue::JobObject(); } MoleQueue::JobObject job(m_jobTemplate); job.setQueue(queue); job.setProgram(program); job.setValue("numberOfCores", m_ui->numberOfCores->value()); job.setValue("cleanRemoteFiles", m_ui->cleanRemoteFiles->isChecked()); job.setValue("hideFromGui", m_ui->hideFromGui->isChecked()); job.setValue("popupOnStateChange", m_ui->popupOnStateChange->isChecked()); return job; } void MoleQueueWidget::setBatchMode(bool batch) { m_ui->openOutput->setHidden(batch); m_ui->openOutputLabel->setHidden(batch); } bool MoleQueueWidget::batchMode() const { return m_ui->openOutput->isHidden(); } void MoleQueueWidget::showAndSelectProgramHandler() { MoleQueueManager& mqManager = MoleQueueManager::instance(); const QString program(property("selectProgramName").toString()); setProperty("selectProgramName", QVariant()); disconnect(&mqManager, SIGNAL(queueListUpdated()), this, SLOT(showAndSelectProgramHandler())); // Get all program nodes that match the name QModelIndexList list(mqManager.queueListModel().findProgramIndices(program)); // Expand the corresponding queues foreach (const QModelIndex& mi, list) m_ui->queueListView->expand(mi.parent()); // Select the first entry if (!list.isEmpty()) { m_ui->queueListView->selectionModel()->select( list.first(), QItemSelectionModel::ClearAndSelect); m_ui->queueListView->scrollTo(list.first()); } } void MoleQueueWidget::onLookupJobReply(int reqId, const QJsonObject& result) { QVariant reqIdVariant(property("lookupJobRequestId")); bool ok; int myReqId = reqIdVariant.toInt(&ok); if (ok && reqId == myReqId) { setProperty("lookupJobRequestId", QVariant()); listenForLookupJobReply(false); MoleQueue::JobObject job; job.fromJson(result); emit jobUpdated(job); } } void MoleQueueWidget::onSubmissionSuccess(int localId, unsigned int mqId) { if (localId != m_requestId) return; listenForJobSubmitReply(false); m_moleQueueId = mqId; emit jobSubmitted(true); } void MoleQueueWidget::onSubmissionFailure(int localId, unsigned int, const QString& error) { if (localId != m_requestId) return; listenForJobSubmitReply(false); m_submissionError = error; emit jobSubmitted(false); } void MoleQueueWidget::onJobStateChange(unsigned int mqId, const QString&, const QString& newState) { if (mqId != m_moleQueueId) return; m_jobState = newState; if (m_jobState == QLatin1String("Finished")) { listenForJobStateChange(false); emit jobFinished(true); } else if (m_jobState == QLatin1String("Error") || m_jobState == QLatin1String("Canceled")) { listenForJobStateChange(false); emit jobFinished(false); } } void MoleQueueWidget::listenForLookupJobReply(bool listen) { Client& mqClient(MoleQueueManager::instance().client()); if (listen) { connect(&mqClient, SIGNAL(lookupJobResponse(int, QJsonObject)), this, SLOT(onLookupJobReply(int, QJsonObject))); } else { disconnect(&mqClient, SIGNAL(lookupJobResponse(int, QJsonObject)), this, SLOT(onLookupJobReply(int, QJsonObject))); } } void MoleQueueWidget::listenForJobSubmitReply(bool listen) { MoleQueue::Client& mqClient(MoleQueueManager::instance().client()); if (listen) { connect(&mqClient, SIGNAL(submitJobResponse(int, uint)), this, SLOT(onSubmissionSuccess(int, uint))); connect(&mqClient, SIGNAL(errorReceived(int, uint, QString)), this, SLOT(onSubmissionFailure(int, uint, QString))); } else { disconnect(&mqClient, SIGNAL(submitJobResponse(int, uint)), this, SLOT(onSubmissionSuccess(int, uint))); disconnect(&mqClient, SIGNAL(errorReceived(int, uint, QString)), this, SLOT(onSubmissionFailure(int, uint, QString))); } } void MoleQueueWidget::listenForJobStateChange(bool listen) { MoleQueue::Client& mqClient(MoleQueueManager::instance().client()); if (listen) { connect(&mqClient, SIGNAL(jobStateChanged(uint, QString, QString)), this, SLOT(onJobStateChange(uint, QString, QString))); } else { disconnect(&mqClient, SIGNAL(jobStateChanged(uint, QString, QString)), this, SLOT(onJobStateChange(uint, QString, QString))); } } bool MoleQueueWidget::programSelected() { QModelIndexList sel(m_ui->queueListView->selectionModel()->selectedIndexes()); return sel.size() > 0; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/molequeue/molequeuewidget.h000066400000000000000000000135121474375334400235260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_MOLEQUEUE_MOLEQUEUEWIDGET_H #define AVOGADRO_MOLEQUEUE_MOLEQUEUEWIDGET_H #include "avogadromolequeueexport.h" #include #include #include "client/jobobject.h" namespace Avogadro::MoleQueue { namespace Ui { class MoleQueueWidget; } /** * @class MoleQueueWidget molequeuewidget.h * * @brief The MoleQueueWidget class provides a widget for configuring and * submitting a MoleQueue::JobObject. */ class AVOGADROMOLEQUEUE_EXPORT MoleQueueWidget : public QWidget { Q_OBJECT public: explicit MoleQueueWidget(QWidget* parent_ = nullptr); ~MoleQueueWidget() override; /** * A "template" MoleQueue::JobObject that is used to initialize the GUI. * Should be fully configured to submit, as this is used to initialize job * that will be submitted by submitJobRequest. * @{ */ JobObject& jobTemplate(); const JobObject& jobTemplate() const; public slots: void setJobTemplate(const JobObject& job); public: /** @} */ /** * Expand all queue nodes that contain a program that matches @a programName * and select the first matching program node. * Matches are case insensitive. */ void showAndSelectProgram(const QString& programName); /** * @return True if the last submission was successful. Only valid after * jobSubmitted has been emitted. */ bool submissionSuccess() const { return m_moleQueueId != InvalidMoleQueueId; } /** * @return True if the last submission was successful. Only valid after * jobSubmitted has been emitted. */ QString jobState() const { return m_jobState; } /** * @return True if the job has finished running. */ bool jobCompleted() const { return (m_jobState == QLatin1String("Finished") || m_jobState == QLatin1String("Error") || m_jobState == QLatin1String("Canceled")); } /** * @return true if the job completed without error. */ bool jobSuccess() const { return m_jobState == QLatin1String("Finished"); } /** * @return The request id associated with the last call to submitJobRequest. * -1 if there was a submission error. */ int requestId() const { return m_requestId; } /** * Indicates an invalid MoleQueue ID in the moleQueueId() result. */ static const unsigned int InvalidMoleQueueId; /** * @return The MoleQueue ID associated with the last submitJobRequest() call. * Only valid after jobSubmitted has been emitted. * @note If an error occurs, InvalidMoleQueueId will be returned. */ unsigned int moleQueueId() const { return m_moleQueueId; } /** * @return A string describing the submission error when submissionSuccess() * return false. */ QString submissionError() const { return m_submissionError; } /** * @return True if the user has requested that the output file be opened when * the calculation completes. */ bool openOutput() const; /** * @brief Request the current state of the job identified by moleQueueId() * from the server. The result will be emitted in the jobUpdated() signal. * @return True if moleQueueId() is valid and the server is connected, false * if the request cannot be sent. */ bool requestJobLookup(); /** * If the widget is in 'batch mode', options that don't make sense are hidden * (such as 'open output when finished'). */ void setBatchMode(bool batch); bool batchMode() const; /**@}*/ /** * @return True if the user has selected a program, false otherwise. */ bool programSelected(); /** * @return A JobObject with the GUI options. Any settings in jobTemplate that * are not handled by the GUI are passed through untouched to the new object. */ JobObject configuredJob() const; public slots: /** * Query the MoleQueue server (if available) for the list of available queues * and programs. */ void refreshPrograms(); /** * Submit the job returned by configuredJob() to MoleQueue. * @return The request id associated with the submission, or -1 on error. * @note The result of the submission request can be checked by monitoring * jobSubmitted, which will always be emitted after this slot is called. */ int submitJobRequest(); signals: /** * Emitted after a call to submitJobRequest * @param success True if the job has been accepted by MoleQueue. */ void jobSubmitted(bool success); /** * Emitted after jobSubmitted is emitted and the job completes. * @param success True if the job enters the "Finished" state. False if the * job enters the "Canceled" or "Error" states. */ void jobFinished(bool success); /** * Emitted after a successful call to requestJobLookup(). * @param job The result of the lookupJob() RPC query. */ void jobUpdated(const JobObject& job); private slots: void showAndSelectProgramHandler(); void onLookupJobReply(int reqId, const QJsonObject& result); void onSubmissionSuccess(int localId, unsigned int moleQueueId); void onSubmissionFailure(int localId, unsigned int, const QString& error); void onJobStateChange(unsigned int mqId, const QString& oldState, const QString& newState); private: void listenForLookupJobReply(bool listen = true); void listenForJobSubmitReply(bool listen = true); void listenForJobStateChange(bool listen = true); Ui::MoleQueueWidget* m_ui; JobObject m_jobTemplate; QString m_jobState; QString m_submissionError; int m_requestId; unsigned int m_moleQueueId; }; } // namespace Avogadro::MoleQueue #endif // AVOGADRO_MOLEQUEUE_MOLEQUEUEWIDGET_H avogadrolibs-1.100.0/avogadro/molequeue/molequeuewidget.ui000066400000000000000000000150541474375334400237170ustar00rootroot00000000000000 Avogadro::MoleQueue::MoleQueueWidget 0 0 618 300 Form 0 0 Queue and Program: Qt::Horizontal 40 20 Refresh 0 0 QFormLayout::AllNonFixedFieldsGrow Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 0 0 <html><head/><body><p>Number of processor cores to reserve for this job.</p></body></html> Processor cores: numberOfCores 1 65536 Qt::Horizontal 40 20 <html><head/><body><p>Delete remote working files upon job completion. Results will still be copied to the local MoleQueue job cache first.</p></body></html> Delete remote files when finished: cleanRemoteFiles <html><head/><body><p>Check to prevent this job from showing up in the MoleQueue GUI by default.</p></body></html> Hide job in MoleQueue: hideFromGui <html><head/><body><p>Show a system popup notification when the job's status changes.</p></body></html> Show progress notifications: popupOnStateChange Open output when finished: openOutput refreshProgramsButton queueListView numberOfCores cleanRemoteFiles hideFromGui popupOnStateChange openOutput avogadrolibs-1.100.0/avogadro/qtgui/000077500000000000000000000000001474375334400172765ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtgui/CMakeLists.txt000066400000000000000000000055171474375334400220460ustar00rootroot00000000000000if(QT_VERSION EQUAL 6) find_package(Qt6 COMPONENTS Widgets Concurrent REQUIRED) else() find_package(Qt5 COMPONENTS Widgets Concurrent REQUIRED) endif() # Provide some simple API to find the plugins, scripts, etc. if(APPLE) # It is a special case, the app bundle logic breaks the relative pathing. add_definitions(-DAvogadroLibs_LIB_DIR=\"lib\") add_definitions(-DAvogadroLibs_DATA_DIR=\"share\") else() add_definitions(-DAvogadroLibs_LIB_DIR=\"${INSTALL_LIBRARY_DIR}\") add_definitions(-DAvogadroLibs_DATA_DIR=\"${INSTALL_DATA_DIR}\") endif() if(USE_SPGLIB) add_definitions(-DUSE_SPGLIB) endif() # Find python for input generator scripts: find_package(PythonInterp 3) file(WRITE "${CMAKE_CURRENT_BINARY_DIR}/avogadropython.h.in" "namespace Avogadro { static const char *pythonInterpreterPath = \"${PYTHON_EXECUTABLE}\"; } ") configure_file("${CMAKE_CURRENT_BINARY_DIR}/avogadropython.h.in" "${CMAKE_CURRENT_BINARY_DIR}/avogadropython.h") add_library(QtGui) avogadro_headers(QtGui backgroundfileformat.h colorbutton.h containerwidget.h customelementdialog.h elementtranslator.h extensionplugin.h filebrowsewidget.h fileformatdialog.h gaussiansetconcurrent.h generichighlighter.h hydrogentools.h insertfragmentdialog.h interfacescript.h interfacewidget.h jsonwidget.h layermodel.h rwlayermanager.h meshgenerator.h molecule.h moleculemodel.h multiviewwidget.h periodictableview.h persistentatom.h persistentbond.h pluginlayermanager.h pythonscript.h richtextdelegate.h rwmolecule.h sceneplugin.h scenepluginmodel.h scriptloader.h slatersetconcurrent.h sortfiltertreeproxymodel.h toolplugin.h utilities.h viewfactory.h ) target_sources(QtGui PRIVATE backgroundfileformat.cpp colorbutton.cpp containerwidget.cpp customelementdialog.cpp elementdetail_p.cpp elementitem_p.cpp elementtranslator.cpp extensionplugin.cpp filebrowsewidget.cpp fileformatdialog.cpp gaussiansetconcurrent.cpp generichighlighter.cpp hydrogentools.cpp insertfragmentdialog.cpp interfacescript.cpp interfacewidget.cpp jsonwidget.cpp layermodel.cpp richtextdelegate.cpp rwlayermanager.cpp meshgenerator.cpp molecule.cpp moleculemodel.cpp multiviewwidget.cpp periodictablescene_p.cpp periodictableview.cpp pluginlayermanager.cpp pythonscript.cpp rwmolecule.cpp sceneplugin.cpp scenepluginmodel.cpp scriptloader.cpp slatersetconcurrent.cpp sortfiltertreeproxymodel.cpp toolplugin.cpp utilities.cpp viewfactory.cpp ) set(UIS customelementdialog.ui insertfragmentdialog.ui ) qt_wrap_ui(UI_SOURCES ${UIS}) target_sources(QtGui PRIVATE ${UI_SOURCES}) set(RCS qtgui.qrc ) qt_add_resources(RC_SOURCES ${RCS}) target_sources(QtGui PRIVATE ${RC_SOURCES}) avogadro_add_library(QtGui) target_link_libraries(QtGui PUBLIC Avogadro::IO Qt::Widgets Qt::Concurrent) avogadrolibs-1.100.0/avogadro/qtgui/backgroundfileformat.cpp000066400000000000000000000034401474375334400241730ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "backgroundfileformat.h" #include namespace Avogadro::QtGui { BackgroundFileFormat::BackgroundFileFormat(Io::FileFormat* format, QObject* parent) : QObject(parent), m_format(format), m_molecule(nullptr), m_success(false) { } BackgroundFileFormat::~BackgroundFileFormat() { delete m_format; } void BackgroundFileFormat::read() { m_success = false; m_error.clear(); if (!m_molecule) m_error = tr("No molecule set in BackgroundFileFormat!"); if (!m_format) m_error = tr("No Io::FileFormat set in BackgroundFileFormat!"); if (m_fileName.isEmpty()) m_error = tr("No file name set in BackgroundFileFormat!"); if (m_error.isEmpty()) { m_success = m_format->readFile(m_fileName.toLocal8Bit().data(), *m_molecule); if (!m_success) m_error = QString::fromStdString(m_format->error()); } emit finished(); } void BackgroundFileFormat::write() { m_success = false; m_error.clear(); if (!m_molecule) m_error = tr("No molecule set in BackgroundFileFormat!"); if (!m_format) m_error = tr("No Io::FileFormat set in BackgroundFileFormat!"); if (m_fileName.isEmpty()) m_error = tr("No file name set in BackgroundFileFormat!"); if (m_error.isEmpty()) { m_success = m_format->writeFile(m_fileName.toLocal8Bit().data(), *m_molecule); if (!m_success) m_error = QString::fromStdString(m_format->error()); } emit finished(); } } // namespace Avogadro::QtGui avogadrolibs-1.100.0/avogadro/qtgui/backgroundfileformat.h000066400000000000000000000043151474375334400236420ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_BACKGROUNDFILEFORMAT_H #define AVOGADRO_QTGUI_BACKGROUNDFILEFORMAT_H #include "avogadroqtguiexport.h" #include #include namespace Avogadro { namespace Core { class Molecule; } namespace Io { class FileFormat; } namespace QtGui { /** * @brief The BackgroundFileFormat class provides a thin QObject wrapper around * an instance of Io::FileFormat. */ class AVOGADROQTGUI_EXPORT BackgroundFileFormat : public QObject { Q_OBJECT public: /** * This class takes ownership of @a format and will delete it when destructed. */ explicit BackgroundFileFormat(Io::FileFormat* format, QObject* parent = nullptr); ~BackgroundFileFormat(); /** * The molecule instance to read/write. * @{ */ void setMolecule(Core::Molecule* mol) { m_molecule = mol; } Core::Molecule* molecule() const { return m_molecule; } /**@}*/ /** * The name of the file to read/write. * @{ */ void setFileName(const QString& filename) { m_fileName = filename; } QString fileName() const { return m_fileName; } /**@}*/ /** * The Io::FileFormat to use. */ Io::FileFormat* fileFormat() const { return m_format; } /** * @return True if the operation was successful. */ bool success() const { return m_success; } /** * @return An error string, set if success() is false. */ QString error() const { return m_error; } signals: /** * Emitted when a call to read or write is called. */ void finished(); public slots: /** * Use the fileFormat() to read fileName() into molecule(). */ void read(); /** * Use the fileFormat() to write fileName() from molecule(). */ void write(); private: Io::FileFormat* m_format; Core::Molecule* m_molecule; QString m_fileName; QString m_error; bool m_success; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_BACKGROUNDFILEFORMAT_H avogadrolibs-1.100.0/avogadro/qtgui/colorbutton.cpp000066400000000000000000000037541474375334400223650ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ // Adapted from Avogadro 1.0 by Geoffrey Hutchison // Contributed to Avogadro 2.0 by Geoffrey Hutchison #include "colorbutton.h" #include #include namespace Avogadro::QtGui { ColorButton::ColorButton(QWidget* parent) : QAbstractButton(parent), m_color(Qt::white), m_title("") { setMinimumSize(35, 20); connect(this, SIGNAL(clicked()), this, SLOT(changeColor())); } ColorButton::ColorButton(const QColor& initial, QWidget* parent) : QAbstractButton(parent), m_color(initial) { setMinimumSize(35, 20); connect(this, SIGNAL(clicked()), this, SLOT(changeColor())); } void ColorButton::changeColor() { // This could be an ifdef for KColorDialog if KDE is present if (m_title == "") m_color = QColorDialog::getColor(m_color, this); else m_color = QColorDialog::getColor(m_color, this, m_title); update(); emit colorChanged(m_color); } void ColorButton::setColor(const QColor& color) { m_color = color; update(); emit colorChanged(m_color); } void ColorButton::setDialogTitle(const QString title) { m_title = title; } QColor ColorButton::color() const { return m_color; } void ColorButton::paintEvent(QPaintEvent*) { // TODO: If we go to RGBA colors, we should really show two pieces // e.g. ----------- // | /| // | non / | // | alpha/ | // | / | // | /alpha // | / | // ----------- QPainter painter(this); // outer border painter.drawRect(0, 0, width(), height()); // inner color painter.setBrush(m_color); painter.drawRect(4, 4, width() - 8, height() - 8); } bool ColorButton::event(QEvent* e) { return QAbstractButton::event(e); } } // namespace Avogadroavogadrolibs-1.100.0/avogadro/qtgui/colorbutton.h000066400000000000000000000040701474375334400220220ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ // Adapted from Avogadro 1.0 by Geoffrey Hutchison // Contributed to Avogadro 2.0 by Geoffrey Hutchison #ifndef AVOGADRO_QTGUI_COLORBUTTON_H #define AVOGADRO_QTGUI_COLORBUTTON_H #include "avogadroqtguiexport.h" #include #include namespace Avogadro { namespace QtGui { /** * @class ColorButton colorbutton.h * @author Geoffrey Hutchison * @brief A button to show the current color and bring up the QColorDialog. * * This class implements a QAbstractButton to display a colored rectangle. * When clicked by the user, it brings up a color picker to select a new * color. * * The widget has a default minimum size of 35x20 pixels. */ class AVOGADROQTGUI_EXPORT ColorButton : public QAbstractButton { Q_OBJECT public: ColorButton(QWidget* parent = 0); explicit ColorButton(const QColor& initial, QWidget* parent = 0); /** * Redraw the widget (i.e., refresh the colored rectangle) */ void paintEvent(QPaintEvent*); /** * @param color the new color to be used */ void setColor(const QColor& color); /** * @param custom title for color choice dialog */ void setDialogTitle(const QString title = ""); /** * @return the current color */ QColor color() const; Q_SIGNALS: /** * emit any time the color is changed, either by a user or by setColor() */ void colorChanged(const QColor &); public Q_SLOTS: /** * Call for a change in the current color */ void changeColor(); protected: /** * Generic event handler, currently defaults to calling parent class * (included for future compatibility) */ bool event(QEvent* e); QColor m_color; //!< The current color QString m_title; //!< The current dialog title }; } // namespace QtGui } // namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/qtgui/containerwidget.cpp000066400000000000000000000033611474375334400231730ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "containerwidget.h" #include #include #include #include namespace Avogadro::QtGui { ContainerWidget::ContainerWidget(QWidget* p, Qt::WindowFlags f) : QWidget(p, f) , m_viewWidget(nullptr) , m_label(new QLabel(QStringLiteral(" "), this)) , m_active(false) { auto* h = new QHBoxLayout; h->setContentsMargins(0, 0, 0, 0); auto* v = new QVBoxLayout; v->setContentsMargins(0, 0, 0, 0); v->setSpacing(0); h->addWidget(m_label); h->addStretch(); auto* button = new QPushButton(tr("Split Horizontal"), this); connect(button, SIGNAL(clicked()), SIGNAL(splitHorizontal())); h->addWidget(button); button = new QPushButton(tr("Split Vertical"), this); connect(button, SIGNAL(clicked()), SIGNAL(splitVertical())); h->addWidget(button); button = new QPushButton(tr("Close"), this); connect(button, SIGNAL(clicked()), SIGNAL(closeView())); h->addWidget(button); v->addLayout(h); setLayout(v); } ContainerWidget::~ContainerWidget() {} void ContainerWidget::setViewWidget(QWidget* widget) { if (m_viewWidget) m_viewWidget->deleteLater(); m_viewWidget = widget; layout()->addWidget(widget); } QWidget* ContainerWidget::viewWidget() { return m_viewWidget; } void ContainerWidget::setActive(bool active) { if (m_active != active) { m_active = active; m_label->setText(active ? " * " : " "); } } } // End Avogadro namespace avogadrolibs-1.100.0/avogadro/qtgui/containerwidget.h000066400000000000000000000025221474375334400226360ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_CONTAINERWIDGET_H #define AVOGADRO_QTGUI_CONTAINERWIDGET_H #include "avogadroqtguiexport.h" #include class QLabel; namespace Avogadro { namespace QtGui { /** * @class ContainerWidget containerwidget.h * @brief A widget that contains a single view widget, along with standard * buttons for splitting, maximizing, closing. * @author Marcus D. Hanwell */ class AVOGADROQTGUI_EXPORT ContainerWidget : public QWidget { Q_OBJECT public: explicit ContainerWidget(QWidget* parent = nullptr, Qt::WindowFlags f = Qt::WindowFlags()); ~ContainerWidget() override; void setViewWidget(QWidget* widget); QWidget* viewWidget(); void setActive(bool active); bool isActive() const { return m_active; } signals: void splitVertical(); void splitHorizontal(); void closeView(); private: QWidget* m_viewWidget; QLabel* m_label; bool m_active; }; } // End QtGui namespace } // End Avogadro namespace #endif // AVOGADRO_QTGUI_CONTAINERWIDGET_H avogadrolibs-1.100.0/avogadro/qtgui/customelementdialog.cpp000066400000000000000000000105741474375334400240550ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "customelementdialog.h" #include "ui_customelementdialog.h" #include "elementtranslator.h" #include "molecule.h" #include #include #include using Avogadro::Core::Elements; namespace Avogadro::QtGui { CustomElementDialog::CustomElementDialog(Molecule& mol, QWidget* p) : QDialog(p), m_ui(new Ui::CustomElementDialog), m_molecule(mol) { m_ui->setupUi(this); prepareElements(); prepareForm(); } CustomElementDialog::~CustomElementDialog() { delete m_ui; } void CustomElementDialog::resolve(QWidget* p, Molecule& mol) { CustomElementDialog dlg(mol, p); int reply = dlg.exec(); if (static_cast(reply) == Accepted) dlg.apply(); } namespace { struct RemapAtomicNumbers { typedef std::map MapType; const MapType& map; RemapAtomicNumbers(const MapType& m) : map(m) {} RemapAtomicNumbers(const RemapAtomicNumbers& o) : map(o.map) {} unsigned char operator()(unsigned char old) const { if (Core::isCustomElement(old)) { auto it = map.find(old); return it == map.end() ? old : it->second; } return old; } }; } // namespace void CustomElementDialog::apply() { RemapAtomicNumbers::MapType oldToNew; Molecule::CustomElementMap newMap; const Molecule::CustomElementMap& oldMap = m_molecule.customElementMap(); unsigned char newIdGenerator = CustomElementMin; foreach (QComboBox* combo, findChildren()) { unsigned char oldId = static_cast(combo->property("id").toUInt()); int currentIndex = combo->currentIndex(); if (currentIndex == 0) { // Reuse old name: unsigned char newId = newIdGenerator++; auto it = oldMap.find(oldId); newMap.insert(std::make_pair(newId, it->second)); oldToNew.insert(std::make_pair(oldId, newId)); } else { // New element assigned: auto newId = static_cast(currentIndex); oldToNew.insert(std::make_pair(oldId, newId)); } } if (newMap.size() != oldMap.size()) { Core::Array atomicNumbers = m_molecule.atomicNumbers(); std::transform(atomicNumbers.begin(), atomicNumbers.end(), atomicNumbers.begin(), RemapAtomicNumbers(oldToNew)); m_molecule.setAtomicNumbers(atomicNumbers); m_molecule.setCustomElementMap(newMap); m_molecule.emitChanged(Molecule::Atoms | Molecule::Modified); } } void CustomElementDialog::prepareElements() { int maxNumber = ElementTranslator::numberOfElements(); m_elements.reserve(maxNumber); for (int i = 1; i <= maxNumber; ++i) m_elements.append(ElementTranslator::name(i)); } namespace { struct CustomElementFilter { std::set customElements; void operator()(unsigned char atomicNumber) { if (Core::isCustomElement(atomicNumber)) customElements.insert(atomicNumber); } operator std::set() const { return customElements; } }; } // namespace void CustomElementDialog::prepareForm() { const Molecule::CustomElementMap& map = m_molecule.customElementMap(); const Core::Array& atomicNumbers = m_molecule.atomicNumbers(); std::set customElements = std::for_each( atomicNumbers.begin(), atomicNumbers.end(), CustomElementFilter()); Molecule::CustomElementMap::const_iterator match; for (unsigned char customElement : customElements) { if ((match = map.find(customElement)) != map.end()) addRow(customElement, QString::fromStdString(match->second)); else addRow(customElement, QString::fromStdString(Elements::name(customElement))); } } void CustomElementDialog::addRow(unsigned char elementId, const QString& name) { auto* combo = new QComboBox(this); combo->setProperty("id", static_cast(elementId)); combo->addItem(name); combo->addItems(m_elements); unsigned int atomicNumber = Elements::guessAtomicNumber(name.toStdString()); if (atomicNumber != InvalidElement) combo->setCurrentIndex(static_cast(atomicNumber)); else combo->setCurrentIndex(0); m_ui->form->addRow(name + ":", combo); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtgui/customelementdialog.h000066400000000000000000000030001474375334400235040ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_CUSTOMELEMENTDIALOG_H #define AVOGADRO_QTGUI_CUSTOMELEMENTDIALOG_H #include "avogadroqtguiexport.h" #include #include namespace Avogadro { namespace QtGui { class Molecule; namespace Ui { class CustomElementDialog; } /** * @class CustomElementDialog customelementdialog.h * * @brief Dialog window for mapping custom elements into elemental types. */ class AVOGADROQTGUI_EXPORT CustomElementDialog : public QDialog { Q_OBJECT public: explicit CustomElementDialog(Molecule& mol, QWidget* parent = nullptr); ~CustomElementDialog() override; /** * Static entry point for using this dialog. @a parent is the parent of the * dialog, @a mol is the molecule to operate on. */ static void resolve(QWidget* parent, Molecule& mol); public slots: /** Apply the changes to the molecule. */ void apply(); private: Ui::CustomElementDialog* m_ui; Molecule& m_molecule; QStringList m_elements; void prepareElements(); void prepareForm(); void addRow(unsigned char customElementId, const QString& name); }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_CUSTOMELEMENTDIALOG_H avogadrolibs-1.100.0/avogadro/qtgui/customelementdialog.ui000066400000000000000000000043111474375334400237000ustar00rootroot00000000000000 Avogadro::QtGui::CustomElementDialog 0 0 197 73 Rename Elements QFormLayout::AllNonFixedFieldsGrow Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter Qt::Vertical 20 40 Qt::Horizontal QDialogButtonBox::Cancel|QDialogButtonBox::Ok buttonBox accepted() Avogadro::QtGui::CustomElementDialog accept() 248 254 157 274 buttonBox rejected() Avogadro::QtGui::CustomElementDialog reject() 316 260 286 274 avogadrolibs-1.100.0/avogadro/qtgui/elementdetail_p.cpp000066400000000000000000000102011474375334400231270ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "elementdetail_p.h" #include "elementtranslator.h" #include #include #include #include #include #include namespace Avogadro::QtGui { using Core::Elements; ElementDetail::ElementDetail(int elementNumber) : m_width(100) , m_height(70) , m_element(elementNumber) {} QRectF ElementDetail::boundingRect() const { return QRectF(-m_width / 2, -m_height / 2, m_width, m_height); } QPainterPath ElementDetail::shape() const { QPainterPath path; path.addRect(-m_width / 2, -m_height / 2, m_width, m_height); return path; } void ElementDetail::paint(QPainter* painter, const QStyleOptionGraphicsItem*, QWidget*) { // Set up a font object and get its height QFont font(QStringLiteral("sans-serif")); font.setPixelSize(12); painter->setFont(font); QFontMetrics fm(font); int pixelHeight = fm.height(); QString symbol = Elements::symbol(static_cast(m_element)); QString name(ElementTranslator::name(m_element)); QString mass = QStringLiteral("%L1").arg( Elements::mass(static_cast(m_element)), 0, 'f', 3); const unsigned char* colorTmp = Elements::color(static_cast(m_element)); QColor color(Qt::white); if (colorTmp) { color.setRgb(static_cast(colorTmp[0]), static_cast(colorTmp[1]), static_cast(colorTmp[2])); } // Draw the element detail border and fill with the element colour painter->setBrush(color); painter->setPen(Qt::black); QRectF rect(-m_width / 2, -m_height / 2, m_width, m_height); painter->drawRect(rect); // Draw the element symbol bigger than everything else font.setPixelSize(24); QFontMetrics fm2(font); pixelHeight = fm2.height(); int pixelWidth = fm2.horizontalAdvance(symbol); painter->setFont(font); QRectF symbolRect(-10, -m_height / 2 + 8, pixelWidth, pixelHeight); painter->drawText(symbolRect, Qt::AlignCenter, symbol); // Reduce the font size to draw the other parts font.setPixelSize(12); int pixelHeight2 = fm.height(); painter->setFont(font); // I don't seem to be able to get a nice, cross platform layout working here // I would really like to figure out how to make this more portable - ideas? #ifdef Q_OS_MAC // Draw the proton number QRectF protonNumberRect(-m_width / 2 - 10, -m_height / 2 + 8, m_width / 2, pixelHeight2); painter->drawText(protonNumberRect, Qt::AlignRight, QString::number(m_element)); // Draw the mass QRectF massNumberRect(-m_width / 2, -m_height / 2 + 8 + pixelHeight * 1.1, m_width, pixelHeight2); painter->drawText(massNumberRect, Qt::AlignCenter, mass); // Finally the full element name QRectF nameRect(-m_width / 2, -m_height / 2 + 4 + pixelHeight * 1.1 + pixelHeight2, m_width, pixelHeight); painter->drawText(nameRect, Qt::AlignCenter, name); #else // Draw the proton number QRectF protonNumberRect(-m_width / 2 - 10, -m_height / 2 + 16, m_width / 2, pixelHeight2); painter->drawText(protonNumberRect, Qt::AlignRight, QString::number(m_element)); // Draw the mass QRectF massNumberRect(-m_width / 2, -m_height / 2 + 4 + pixelHeight, m_width, pixelHeight2); painter->drawText(massNumberRect, Qt::AlignCenter, mass); // Finally the full element name QRectF nameRect(-m_width / 2, -m_height / 2 + pixelHeight + 0.8 * pixelHeight2, m_width, pixelHeight); painter->drawText(nameRect, Qt::AlignCenter, name); #endif } void ElementDetail::setElement(int element) { if (m_element != element) { m_element = element; update(boundingRect()); } } } // End Avogadro namespace avogadrolibs-1.100.0/avogadro/qtgui/elementdetail_p.h000066400000000000000000000035211474375334400226030ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_ELEMENTDETAIL_P_H #define AVOGADRO_QTGUI_ELEMENTDETAIL_P_H #include namespace Avogadro { namespace QtGui { /** * @class ElementDetail * @internal * @author Marcus D. Hanwell * @brief An item box displaying more detailed information on the element. * * This class implements a QGraphicsItem for displaying a larger box that * gives greater detail about the selected element such as its full name, * proton number and average atomic mass. */ class ElementDetail : public QGraphicsItem { public: /** * Constructor. Should be called with the element number for this item. */ explicit ElementDetail(int elementNumber = 0); /** * @return the bounding rectangle of the element item. */ QRectF boundingRect() const override; /** * @return the painter path which is also a rectangle in this case. */ QPainterPath shape() const override; /** * This is where most of the action takes place. The element box is drawn * along with its symbol, proton number, mass and full name. */ void paint(QPainter* painter, const QStyleOptionGraphicsItem* option, QWidget* widget) override; /** * Change the element displayed in the detail object. */ void setElement(int element); private: /** * Width and height of the item. */ int m_width, m_height; /** * The proton number of the item - all other attributes are derived from this. */ int m_element; }; } // End namespace QtGui } // End namespace Avogadro #endif // AVOGADRO_QTGUI_ELEMENTDETAIL_P_H avogadrolibs-1.100.0/avogadro/qtgui/elementitem_p.cpp000066400000000000000000000044761474375334400226440ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "elementitem_p.h" #include "elementtranslator.h" #include #include #include #include #include #include namespace Avogadro::QtGui { using Core::Elements; ElementItem::ElementItem(int elementNumber) : m_valid(false), m_color(Qt::white), m_width(26), m_height(26), m_element(elementNumber) { // Want these items to be selectable setFlags(QGraphicsItem::ItemIsSelectable); m_symbol = Elements::symbol(static_cast(m_element)); if (!m_symbol.isEmpty()) m_valid = true; const unsigned char* color = Elements::color(static_cast(m_element)); if (color) { m_color.setRgb(static_cast(color[0]), static_cast(color[1]), static_cast(color[2])); } // Set some custom data to make it easy to figure out which element we are setData(0, m_element); } ElementItem::~ElementItem() { } QRectF ElementItem::boundingRect() const { return QRectF(-m_width / 2, -m_height / 2, m_width, m_height); } QPainterPath ElementItem::shape() const { QPainterPath path; path.addRect(-m_width / 2, -m_height / 2, m_width, m_height); return path; } void ElementItem::paint(QPainter* painter, const QStyleOptionGraphicsItem*, QWidget*) { if (!m_valid) return; // Fill the rectangle with the element colour QColor bgColor; QPen pen; if (isSelected()) { bgColor = QColor(m_color).lighter(150); pen.setColor(QColor(m_color).darker(150)); pen.setWidth(4); } else { bgColor = QColor(m_color); } painter->setPen(pen); painter->setBrush(bgColor); QRectF rect(-m_width / 2, -m_height / 2, m_width, m_height); painter->drawRect(rect); // Handle the case where the item is selected if (bgColor.value() < 150) pen.setColor(Qt::white); else pen.setColor(Qt::black); painter->setPen(pen); painter->drawText(rect, Qt::AlignCenter, m_symbol); } } // End namespace Avogadro avogadrolibs-1.100.0/avogadro/qtgui/elementitem_p.h000066400000000000000000000042151474375334400223000ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_ELEMENTITEM_P_H #define AVOGADRO_QTGUI_ELEMENTITEM_P_H #include namespace Avogadro { namespace QtGui { /** * @class ElementItem * @internal * @author Marcus D. Hanwell * @brief An element item, intended to display a single element. * * This class implements a QGraphicsItem for displaying single elements in a * periodic table. It currently allows the setting of the proton number and * gets all other information from OpenBabel. */ class ElementItem : public QGraphicsItem { public: /** * Constructor. Should be called with the element number for this item. The * constructor uses setData to set the element number using the key 0. This * is then used by PeriodicTable to figure out which element was clicked on. */ ElementItem(int elementNumber = 0); ~ElementItem() override; /** * @return the bounding rectangle of the element item. */ QRectF boundingRect() const override; /** * @return the painter path which is also a rectangle in this case. */ QPainterPath shape() const override; /** * This is where most of the action takes place. The element box is drawn * along with its symbol. */ void paint(QPainter* painter, const QStyleOptionGraphicsItem* option, QWidget* widget) override; private: /** Indicates if element is well-formed (e.g., has non-empty symbol). */ bool m_valid; /** The element numbers symbol. */ QString m_symbol; /** * The color of the element which will also be used as the background color * for the item box. */ QColor m_color; /** * Width and height of the elements. */ int m_width, m_height; /** * The proton number of the item - all other attributes are derived from this. */ int m_element; }; } // End namespace QtGui } // End namespace Avogadro #endif // AVOGADRO_QTGUI_ELEMENTITEM_P_H avogadrolibs-1.100.0/avogadro/qtgui/elementtranslator.cpp000066400000000000000000000163071474375334400235540ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "elementtranslator.h" namespace Avogadro::QtGui { ElementTranslator::ElementTranslator() : QObject() { } QString ElementTranslator::name(int element) { QString result; switch (element) { case 1: result = tr("Hydrogen"); break; case 2: result = tr("Helium"); break; case 3: result = tr("Lithium"); break; case 4: result = tr("Beryllium"); break; case 5: result = tr("Boron"); break; case 6: result = tr("Carbon"); break; case 7: result = tr("Nitrogen"); break; case 8: result = tr("Oxygen"); break; case 9: result = tr("Fluorine"); break; case 10: result = tr("Neon"); break; case 11: result = tr("Sodium"); break; case 12: result = tr("Magnesium"); break; case 13: result = tr("Aluminum"); break; case 14: result = tr("Silicon"); break; case 15: result = tr("Phosphorus"); break; case 16: result = tr("Sulfur"); break; case 17: result = tr("Chlorine"); break; case 18: result = tr("Argon"); break; case 19: result = tr("Potassium"); break; case 20: result = tr("Calcium"); break; case 21: result = tr("Scandium"); break; case 22: result = tr("Titanium"); break; case 23: result = tr("Vanadium"); break; case 24: result = tr("Chromium"); break; case 25: result = tr("Manganese"); break; case 26: result = tr("Iron"); break; case 27: result = tr("Cobalt"); break; case 28: result = tr("Nickel"); break; case 29: result = tr("Copper"); break; case 30: result = tr("Zinc"); break; case 31: result = tr("Gallium"); break; case 32: result = tr("Germanium"); break; case 33: result = tr("Arsenic"); break; case 34: result = tr("Selenium"); break; case 35: result = tr("Bromine"); break; case 36: result = tr("Krypton"); break; case 37: result = tr("Rubidium"); break; case 38: result = tr("Strontium"); break; case 39: result = tr("Yttrium"); break; case 40: result = tr("Zirconium"); break; case 41: result = tr("Niobium"); break; case 42: result = tr("Molybdenum"); break; case 43: result = tr("Technetium"); break; case 44: result = tr("Ruthenium"); break; case 45: result = tr("Rhodium"); break; case 46: result = tr("Palladium"); break; case 47: result = tr("Silver"); break; case 48: result = tr("Cadmium"); break; case 49: result = tr("Indium"); break; case 50: result = tr("Tin"); break; case 51: result = tr("Antimony"); break; case 52: result = tr("Tellurium"); break; case 53: result = tr("Iodine"); break; case 54: result = tr("Xenon"); break; case 55: result = tr("Cesium"); break; case 56: result = tr("Barium"); break; case 57: result = tr("Lanthanum"); break; case 58: result = tr("Cerium"); break; case 59: result = tr("Praseodymium"); break; case 60: result = tr("Neodymium"); break; case 61: result = tr("Promethium"); break; case 62: result = tr("Samarium"); break; case 63: result = tr("Europium"); break; case 64: result = tr("Gadolinium"); break; case 65: result = tr("Terbium"); break; case 66: result = tr("Dysprosium"); break; case 67: result = tr("Holmium"); break; case 68: result = tr("Erbium"); break; case 69: result = tr("Thulium"); break; case 70: result = tr("Ytterbium"); break; case 71: result = tr("Lutetium"); break; case 72: result = tr("Hafnium"); break; case 73: result = tr("Tantalum"); break; case 74: result = tr("Tungsten"); break; case 75: result = tr("Rhenium"); break; case 76: result = tr("Osmium"); break; case 77: result = tr("Iridium"); break; case 78: result = tr("Platinum"); break; case 79: result = tr("Gold"); break; case 80: result = tr("Mercury"); break; case 81: result = tr("Thallium"); break; case 82: result = tr("Lead"); break; case 83: result = tr("Bismuth"); break; case 84: result = tr("Polonium"); break; case 85: result = tr("Astatine"); break; case 86: result = tr("Radon"); break; case 87: result = tr("Francium"); break; case 88: result = tr("Radium"); break; case 89: result = tr("Actinium"); break; case 90: result = tr("Thorium"); break; case 91: result = tr("Protactinium"); break; case 92: result = tr("Uranium"); break; case 93: result = tr("Neptunium"); break; case 94: result = tr("Plutonium"); break; case 95: result = tr("Americium"); break; case 96: result = tr("Curium"); break; case 97: result = tr("Berkelium"); break; case 98: result = tr("Californium"); break; case 99: result = tr("Einsteinium"); break; case 100: result = tr("Fermium"); break; case 101: result = tr("Mendelevium"); break; case 102: result = tr("Nobelium"); break; case 103: result = tr("Lawrencium"); break; case 104: result = tr("Rutherfordium"); break; case 105: result = tr("Dubnium"); break; case 106: result = tr("Seaborgium"); break; case 107: result = tr("Bohrium"); break; case 108: result = tr("Hassium"); break; case 109: result = tr("Meitnerium"); break; case 110: result = tr("Darmstadtium"); break; case 111: result = tr("Roentgenium"); break; case 112: result = tr("Copernicium"); break; case 113: result = tr("Nihonium"); break; case 114: result = tr("Flerovium"); break; case 115: result = tr("Moscovium"); break; case 116: result = tr("Livermorium"); break; case 117: result = tr("Tennessine"); break; case 118: result = tr("Oganesson"); break; default: result = tr("Unknown"); } return result; } int ElementTranslator::numberOfElements() { return 118; } } // End namespace Avogadro avogadrolibs-1.100.0/avogadro/qtgui/elementtranslator.h000066400000000000000000000026111474375334400232120ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_ELEMENTTRANSLATOR_H #define AVOGADRO_QTGUI_ELEMENTTRANSLATOR_H #include "avogadroqtguiexport.h" #include namespace Avogadro { namespace QtGui { /** * @class ElementTranslator elementtranslator.h * * @brief Internationalization of element names. * @author Geoff Hutchison * * This class provides for translation of element names: e.g., tr("Carbon") * To use the global translator: * @code * #include * ... * Avogadro::elementTranslator.name(6); // Return "carbon" in English * @endcode */ class AVOGADROQTGUI_EXPORT ElementTranslator : public QObject { Q_OBJECT public: ElementTranslator(); /** * Translate element names. * @param element The atomic number of the element to be translated. * @return a QString with the appropriate translation for the current locale. */ static QString name(int element); /** * @return The highest atomic number supported by this class. */ static int numberOfElements(); }; } // End namespace QtGui } // End namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/qtgui/extensionplugin.cpp000066400000000000000000000020711474375334400232350ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "extensionplugin.h" namespace Avogadro::QtGui { ExtensionPlugin::ExtensionPlugin(QObject* parent_) : QObject(parent_) {} ExtensionPlugin::~ExtensionPlugin() {} QList ExtensionPlugin::fileFormats() const { return QList(); } ExtensionPluginFactory::~ExtensionPluginFactory() {} bool ExtensionPlugin::readMolecule(Molecule&) { return false; } void ExtensionPlugin::setScene(Rendering::Scene*) {} void ExtensionPlugin::setCamera(Rendering::Camera* camera) {} void ExtensionPlugin::setActiveWidget(QWidget* widget) {} bool ExtensionPlugin::handleCommand(const QString& command, const QVariantMap& options) { Q_UNUSED(command); Q_UNUSED(options); return false; } } // namespace Avogadro::QtGui avogadrolibs-1.100.0/avogadro/qtgui/extensionplugin.h000066400000000000000000000123501474375334400227030ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_EXTENSIONPLUGIN_H #define AVOGADRO_QTGUI_EXTENSIONPLUGIN_H #include "avogadroqtguiexport.h" #include #include class QAction; namespace Avogadro { namespace QtGui { class Molecule; } namespace Rendering { class Camera; class Scene; } // namespace Rendering namespace Io { class FileFormat; } namespace QtGui { /** * @class ExtensionPlugin extensionplugin.h * @brief The base class for extension plugin factories in Avogadro. * @author Marcus D. Hanwell */ class AVOGADROQTGUI_EXPORT ExtensionPlugin : public QObject { Q_OBJECT public: explicit ExtensionPlugin(QObject* parent = nullptr); ~ExtensionPlugin() override; /** * The name of the extension plugin, will be displayed in the user interface. */ virtual QString name() const = 0; /** * A description of the extension plugin, may be displayed in the user * interface. */ virtual QString description() const = 0; /** * @return The QActions for this extension (should be at least one). */ virtual QList actions() const = 0; /** * @return The menu path of the supplied action. This can be empty if the * action was not recognized, or contain two or more strings (top level, plus * name, e.g. File, &Open). */ virtual QStringList menuPath(QAction* action = nullptr) const = 0; /** * @return A list of file format readers/writers. * * The caller takes ownership of the objects in the returned list. */ virtual QList fileFormats() const; /** * If the extension plugin has script commands, this method * should be implemented to emit the registerCommand signals. */ virtual void registerCommands() {} public slots: /** * Called when the current molecule changes. */ virtual void setMolecule(QtGui::Molecule* mol) = 0; /** * Call this slot when the moleculeReady signal indicated that a molecule is * ready to be read. The @p molecule will have the data read into it. The slot * will @return true if a molecule was successfully read in. */ virtual bool readMolecule(QtGui::Molecule& mol); /** * Called when the current scene changes. */ virtual void setScene(Rendering::Scene* scene); /** * Called when the active camera for the view changes. */ virtual void setCamera(Rendering::Camera* camera); /** * Called when the active widget changes. This must be used carefully, and * should check that the widget has been cast if used. */ virtual void setActiveWidget(QWidget* widget); /** * Called by the app to handle a command registered by the extension. * (e.g., "renderMovie" or "generateSurface", etc.) * * The app will turn the command into a string and pass it to the extension. * and any options will go from a JSON dictionary to a QVariantMap. * * @return true if the command was handled, false otherwise. */ virtual bool handleCommand(const QString& command, const QVariantMap& options); signals: /** * Signal that the extension has a new molecule that is ready to be loaded. * The application must call readMolecule in order to actually read the * molecule(s). */ void moleculeReady(int numberOfMolecules); /** * Signal that the extension has file formats that are ready to be registered. * If emitted the application should call fileFormats to get the formats the * extension is registering. */ void fileFormatsReady(); /** * Signal to request a particular tool is set as the active tool. This is * useful when loading a structure outside of the normal file API and setting * "Navigator" to active instead of "Editor" (the default). */ void requestActiveTool(QString toolName); /** * Request a specific display type (or types) are made active. * This can be useful when loading a specific type of data that * would be most readily viewed with a specialized view. */ void requestActiveDisplayTypes(QStringList displayTypes); /** * Register a new command with the application. The command will be available * through scripting (e.g., "renderMovie" or "generateSurface", etc.) * * @param command The name of the command to register. * @param description A description of the command. * * @sa handleCommand */ void registerCommand(QString command, QString description); }; /** * @class ExtensionPluginFactory extensionplugin.h * * @brief The base class for extension plugin factories in Avogadro. * @author Marcus D. Hanwell */ class AVOGADROQTGUI_EXPORT ExtensionPluginFactory : public QtPlugins::PluginFactory { public: ~ExtensionPluginFactory() override; }; } // namespace QtGui } // namespace Avogadro Q_DECLARE_INTERFACE(Avogadro::QtGui::ExtensionPluginFactory, "org.openchemistry.avogadro.ExtensionPluginFactory") #endif // AVOGADRO_QTGUI_EXTENSIONPLUGIN_H avogadrolibs-1.100.0/avogadro/qtgui/filebrowsewidget.cpp000066400000000000000000000131011474375334400233430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "filebrowsewidget.h" #include #include #include #include #include #include #include #include namespace Avogadro::QtGui { FileBrowseWidget::FileBrowseWidget(QWidget* theParent) : QWidget(theParent), m_mode(), // use the setter to initialize filters. m_valid(false), m_fileSystemModel(new QFileSystemModel(this)), m_button(new QPushButton(tr("Browse"))), m_edit(new QLineEdit) { auto* hbox = new QHBoxLayout; hbox->addWidget(m_edit); hbox->addWidget(m_button); setLayout(hbox); // Focus config setFocusPolicy(Qt::StrongFocus); setFocusProxy(m_edit); setTabOrder(m_edit, m_button); // Setup completion m_fileSystemModel->setRootPath(QDir::rootPath()); auto* fsCompleter = new QCompleter(m_fileSystemModel, this); m_edit->setCompleter(fsCompleter); // Connections: connect(m_button, SIGNAL(clicked()), SLOT(browse())); connect(m_edit, SIGNAL(textChanged(QString)), SLOT(testFileName())); connect(m_edit, SIGNAL(textChanged(QString)), SIGNAL(fileNameChanged(QString))); setMode(ExistingFile); } FileBrowseWidget::~FileBrowseWidget() {} QString FileBrowseWidget::fileName() const { return m_edit->text(); } QPushButton* FileBrowseWidget::browseButton() const { return m_button; } QLineEdit* FileBrowseWidget::lineEdit() const { return m_edit; } void FileBrowseWidget::setFileName(const QString& fname) { m_edit->setText(fname); } void FileBrowseWidget::browse() { QString fname(fileName()); QFileInfo info(fname); QString initialFilePath; if (info.isAbsolute()) { initialFilePath = info.absolutePath(); } else if (m_mode == ExecutableFile) { initialFilePath = searchSystemPathForFile(fname); if (!initialFilePath.isEmpty()) initialFilePath = QFileInfo(initialFilePath).absolutePath(); } if (initialFilePath.isEmpty()) initialFilePath = QDir::homePath(); initialFilePath += "/" + info.fileName(); info = QFileInfo(initialFilePath); QFileDialog dlg(this); switch (m_mode) { default: case ExistingFile: dlg.setWindowTitle(tr("Select file:")); break; case ExecutableFile: dlg.setWindowTitle(tr("Select executable:")); dlg.setFilter(QDir::Executable); break; } dlg.setFileMode(QFileDialog::ExistingFile); dlg.setDirectory(info.absolutePath()); dlg.selectFile(info.fileName()); if (static_cast(dlg.exec()) == QFileDialog::Accepted && !dlg.selectedFiles().isEmpty()) setFileName(dlg.selectedFiles().first()); } void FileBrowseWidget::testFileName() { QFileInfo info(fileName()); if (info.isAbsolute()) { if (info.exists()) { if (m_mode != ExecutableFile || info.isExecutable()) { fileNameMatch(); return; } } } else if (m_mode == ExecutableFile) { // for non-absolute executables, search PATH QString absoluteFilePath = searchSystemPathForFile(fileName()); if (!absoluteFilePath.isNull()) { fileNameMatch(); return; } } fileNameNoMatch(); } void FileBrowseWidget::fileNameMatch() { QPalette pal; pal.setColor(QPalette::Text, Qt::black); m_edit->setPalette(pal); m_valid = true; } void FileBrowseWidget::fileNameNoMatch() { QPalette pal; pal.setColor(QPalette::Text, Qt::red); m_edit->setPalette(pal); m_valid = false; } QStringList FileBrowseWidget::searchSystemPathForFiles(const QStringList& execs) { QStringList result; QProcessEnvironment env = QProcessEnvironment::systemEnvironment(); if (!env.contains(QStringLiteral("PATH"))) return result; static QString pathSplitter = #ifdef Q_OS_WIN32 ";" #else // WIN32 ":" #endif // WIN32 ; QStringList paths = env.value(QStringLiteral("PATH")).split(pathSplitter, Qt::SkipEmptyParts); foreach (const QString& exec, execs) { foreach (const QString& path, paths) { QFileInfo info(path + "/" + exec); if (!info.exists() || !info.isFile()) { continue; } result << info.absoluteFilePath(); break; } } return result; } QString FileBrowseWidget::searchSystemPathForFile(const QString& exec) { QString result; QProcessEnvironment env = QProcessEnvironment::systemEnvironment(); if (!env.contains(QStringLiteral("PATH"))) return result; static QString pathSplitter = #ifdef Q_OS_WIN32 ";" #else // WIN32 ":" #endif // WIN32 ; QStringList paths = env.value(QStringLiteral("PATH")).split(pathSplitter, Qt::SkipEmptyParts); foreach (const QString& path, paths) { QFileInfo info(path + "/" + exec); if (!info.exists() || !info.isFile()) { continue; } result = info.absoluteFilePath(); break; } return result; } void FileBrowseWidget::setMode(FileBrowseWidget::Mode m) { m_mode = m; QDir::Filters modelFilters = QDir::Files | QDir::AllDirs | QDir::NoDot | QDir::Drives; // This should go here, but unfortunately this also filters out a ton of // directories as well... // if (m_mode == ExecutableFile) // modelFilters |= QDir::Executable; m_fileSystemModel->setFilter(modelFilters); testFileName(); } FileBrowseWidget::Mode FileBrowseWidget::mode() const { return m_mode; } } // namespace Avogadro::QtGui avogadrolibs-1.100.0/avogadro/qtgui/filebrowsewidget.h000066400000000000000000000037561474375334400230270ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_FILEBROWSEWIDGET_H #define AVOGADRO_QTGUI_FILEBROWSEWIDGET_H #include "avogadroqtguiexport.h" #include class QFileSystemModel; class QLineEdit; class QPushButton; namespace Avogadro { namespace QtGui { class AVOGADROQTGUI_EXPORT FileBrowseWidget : public QWidget { Q_OBJECT public: enum Mode { ExistingFile = 0, ExecutableFile }; explicit FileBrowseWidget(QWidget* theParent = nullptr); ~FileBrowseWidget() override; QString fileName() const; bool validFileName() const { return m_valid; } QPushButton* browseButton() const; QLineEdit* lineEdit() const; void setMode(Mode m); Mode mode() const; /** * @brief Search the environment variable PATH for a file with the specified * name. * @param exec The name of the file. * @return The absolute path to the file on the system, or a null QString if * not found. */ static QString searchSystemPathForFile(const QString& exec); /** * @brief Search the environment variable PATH for files with the specified * names. * @param execs The names of the files. * @return The absolute paths to the files on the system, or an empty list if * not found. */ static QStringList searchSystemPathForFiles(const QStringList& execs); signals: void fileNameChanged(const QString& filename); public slots: void setFileName(const QString& fname); private slots: void browse(); void testFileName(); void fileNameMatch(); void fileNameNoMatch(); private: Mode m_mode; bool m_valid; QFileSystemModel* m_fileSystemModel; QPushButton* m_button; QLineEdit* m_edit; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_FILEBROWSEWIDGET_H avogadrolibs-1.100.0/avogadro/qtgui/fileformatdialog.cpp000066400000000000000000000271521474375334400233210ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "fileformatdialog.h" #include #include #include #include #include #include #include using Avogadro::Io::FileFormat; using Avogadro::Io::FileFormatManager; using std::vector; namespace Avogadro::QtGui { FileFormatDialog::FileFormatDialog(QWidget* parentW) : QFileDialog(parentW) {} FileFormatDialog::~FileFormatDialog() {} FileFormatDialog::FormatFilePair FileFormatDialog::fileToRead( QWidget* parent, const QString& caption, const QString& dir, const QString& filter) { FormatFilePair result(nullptr, QString()); // Use the default read filter if none specified: const QString realFilter = filter.isEmpty() ? readFileFilter() : filter; bool done = false; do { // jump point for continue statements on retry QString fileName = QFileDialog::getOpenFileName(parent, caption, dir, realFilter); if (fileName.isEmpty()) // user cancel return result; const Io::FileFormat* format = findFileFormat( parent, caption, fileName, FileFormat::File | FileFormat::Read); // If none found, give user the option to retry. if (!format) { QMessageBox::StandardButton reply = QMessageBox::question( parent, caption, tr("Unable to find a suitable file reader for " "the selected file."), QMessageBox::Abort | QMessageBox::Retry, QMessageBox::Retry); switch (reply) { default: case QMessageBox::Retry: continue; case QMessageBox::Abort: return result; } } result.first = format; result.second = fileName; done = true; } while (!done); return result; } FileFormatDialog::FormatFilePair FileFormatDialog::fileToWrite( QWidget* parentWidget, const QString& caption, const QString& dir, const QString& filter) { FormatFilePair result(nullptr, QString()); // Use the default read filter if none specified: const QString realFilter = filter.isEmpty() ? writeFileFilter() : filter; QString fileName; do { // jump point for continue statements on retry fileName = QFileDialog::getSaveFileName(parentWidget, caption, dir, realFilter); if (fileName.isEmpty()) // user cancel return result; const Io::FileFormat* format = findFileFormat( parentWidget, caption, fileName, FileFormat::File | FileFormat::Write); // If none found, give user the option to retry. if (!format) { QString extension = QFileInfo(fileName).suffix().toLower(); if (extension.isEmpty()) { QMessageBox::StandardButton reply = QMessageBox::question( parentWidget, caption, tr( "The file extension is missing, so the format cannot be determined." " Do you want to add it?"), QMessageBox::Abort | QMessageBox::Retry, QMessageBox::Retry); switch (reply) { default: case QMessageBox::Retry: continue; case QMessageBox::Abort: return result; } } QMessageBox::StandardButton reply = QMessageBox::question( parentWidget, caption, tr("Unable to find a suitable file writer for " "the selected format."), QMessageBox::Abort | QMessageBox::Retry, QMessageBox::Retry); switch (reply) { default: case QMessageBox::Retry: continue; case QMessageBox::Abort: return result; } } result.first = format; result.second = fileName; } while (fileName.isEmpty()); return result; } const Io::FileFormat* FileFormatDialog::findFileFormat( QWidget* parentWidget, const QString& caption, const QString& fileName, const FileFormat::Operations formatFlags, const QString& formatPrefix) { if (fileName.isEmpty()) return nullptr; // Extract extension from filename. QFileInfo fileInfo(fileName); QString extension = fileInfo.suffix(); if (extension.isEmpty()) extension = fileInfo.fileName(); // Lookup matching file formats. vector matches( FileFormatManager::instance().fileFormatsFromFileExtension( extension.toStdString(), formatFlags)); // Prepare the strings for selectFileFormat: QString noun; QString verb; QString key; // TODO: This does not work for translation... // particularly since len(matches) is known if ((formatFlags & FileFormat::Read && formatFlags & FileFormat::Write) || ((formatFlags & FileFormat::Read) == 0 && (formatFlags & FileFormat::Write) == 0)) { // Both or neither read/write noun = tr("handlers", "File handlers"); verb = tr("handle", "e.g. file handlers that can 'handle' this file."); key = QLatin1String("fileToWrite"); // Just use the write settings } else if (formatFlags & FileFormat::Read) { // Read noun = tr("readers", "File readers"); verb = tr("read", "e.g. file readers that can 'read' this file."); key = QLatin1String("fileToRead"); } else if (formatFlags & FileFormat::Write) { // Write noun = tr("writers", "File writers"); verb = tr("write", "e.g. file writers that can 'write' this file."); key = QLatin1String("fileToWrite"); } return selectFileFormat(parentWidget, matches, caption, tr("Multiple %1 found that can %2 this format. " "Which should be used?") .arg(noun, verb), QString("FileFormatDialog/%1/%2" "/lastUsed") .arg(key, extension), formatPrefix); } QString FileFormatDialog::readFileFilter() { static QString readFilter; if (readFilter.isEmpty()) { vector formats = FileFormatManager::instance().fileFormats(FileFormat::Read | FileFormat::File); readFilter = generateFilterString(formats, AllFiles | AllFormats); } return readFilter; } QString FileFormatDialog::writeFileFilter() { static QString writeFilter; if (writeFilter.isEmpty()) { vector formats = FileFormatManager::instance().fileFormats(FileFormat::Write | FileFormat::File); writeFilter = generateFilterString(formats, WriteFormats | AllFiles); } return writeFilter; } QString FileFormatDialog::generateFilterString( const std::vector& ffs, FileFormatDialog::FilterStringOptions options) { QString filterString; // Create a map that groups the file extensions by name: QMultiMap formatMap; for (auto ff : ffs) { QString name(QString::fromStdString(ff->name())); std::vector exts = ff->fileExtensions(); for (auto& eit : exts) { QString ext(QString::fromStdString(eit)); if (!formatMap.values(name).contains(ext)) { formatMap.insertMulti(name, ext); } } } // This is a list of "extensions" returned by OB that are not actually // file extensions, but rather the full filename of the file. These // will be used as-is in the filter string, while others will be prepended // with "*.". QStringList nonExtensions; nonExtensions << QStringLiteral("POSCAR") // VASP input geometry << QStringLiteral("CONTCAR") // VASP output geometry << QStringLiteral("HISTORY") // DL-POLY history file << QStringLiteral("CONFIG") // DL-POLY config file ; // This holds all known extensions: QStringList allExtensions; foreach (const QString& desc, formatMap.uniqueKeys()) { QStringList extensions; QStringList formatExtensions = formatMap.values(desc); // When writing formats, only list one common extension // .. to ensure the OS appends the extension to the filename if (options & WriteFormats) { if (formatExtensions.contains(QStringLiteral("cml"))) formatExtensions = QStringList("cml"); else if (formatExtensions.contains(QStringLiteral("mol2"))) formatExtensions = QStringList("mol2"); else if (formatExtensions.contains(QStringLiteral("pdb"))) formatExtensions = QStringList("pdb"); else if (formatExtensions.contains(QStringLiteral("sdf"))) formatExtensions = QStringList("sdf"); else if (formatExtensions.contains(QStringLiteral("xyz"))) formatExtensions = QStringList("xyz"); } foreach (QString extension, formatExtensions) { if (!nonExtensions.contains(extension)) extension.prepend("*."); extensions << extension; } if (options & AllFormats) allExtensions << extensions; filterString += QStringLiteral("%1 (%2);;") .arg(desc, extensions.join(QStringLiteral(" "))); } if (options & AllFiles) filterString.prepend(tr("All files") + " (*);;"); if (options & AllFormats) { filterString.prepend((tr("All supported formats") + " (%1);;") .arg(allExtensions.join(QStringLiteral(" ")))); } return filterString; } const Io::FileFormat* FileFormatDialog::selectFileFormat( QWidget* parentWidget, const std::vector& ffs, const QString& caption, const QString& prompt, const QString& settingsKey, const QString& formatPrefix) { if (ffs.empty()) return nullptr; else if (ffs.size() == 1) return ffs[0]; // If more than one format found, prompt user to select one. QStringList idents; for (auto ff : ffs) { idents << QString::fromStdString(ff->identifier()); } // If there is a format prefix, see if that can reduce the results down. QStringList preferred; foreach (const QString& id, idents) if (id.startsWith(formatPrefix)) preferred << id; if (preferred.size() == 1) return ffs[idents.indexOf(preferred.first())]; // We will only show the dialog if the user is pressing // the shift, control or meta keys. if (!(QApplication::keyboardModifiers() & (Qt::ShiftModifier | Qt::ControlModifier | Qt::MetaModifier))) { // use a script format if set (i.e., these override internal) // otherwise use internal over Open Babel for (int i = 0; i < static_cast(ffs.size()); ++i) { if (idents[i].startsWith("User")) { return ffs[i]; } else if (idents[i].startsWith("Avogadro")) { return ffs[i]; } else if (idents[i].startsWith("OpenBabel")) { return ffs[i]; } } // if we get here, we should show the user the dialog // .. but it should never happen } // See if they used one before: QString lastIdent = settingsKey.isNull() ? QString() : QSettings().value(settingsKey).toString(); int lastIdentIndex = idents.indexOf(lastIdent); // we're going to show the dialog - if there wasn't a choice // the default should be the first one if (lastIdentIndex < 0) lastIdentIndex = 0; bool ok; QString item = QInputDialog::getItem(parentWidget, caption, prompt, idents, lastIdentIndex, false, &ok); int index = idents.indexOf(item); // user cancel if (!ok || index < 0 || index + 1 > static_cast(ffs.size())) return nullptr; // Store chosen reader for next time if (!settingsKey.isNull()) QSettings().setValue(settingsKey, item); return ffs[index]; } } // namespace Avogadro::QtGui avogadrolibs-1.100.0/avogadro/qtgui/fileformatdialog.h000066400000000000000000000151061474375334400227620ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_FILEFORMATDIALOG_H #define AVOGADRO_QTGUI_FILEFORMATDIALOG_H #include "avogadroqtguiexport.h" #include #include #include namespace Avogadro { namespace Core { class Molecule; } namespace QtGui { /** * @class FileFormatDialog fileformatdialog.h * * * Allow users to select save/open filenames that can be handled by registered * FileFormats. */ class AVOGADROQTGUI_EXPORT FileFormatDialog : private QFileDialog { Q_OBJECT public: /** * Container for a filename and a compatible file format, used as return * values in static functions. * @note The FileFormat will be set to nullptr to indicate an error. * @note The FileFormat points to the reference instance held by the * FileFormatManager. Use FileFormat::newInstance() to create a usable copy. */ typedef QPair FormatFilePair; /** * @brief Show a QFileDialog to prompt the user for a file to open and resolve * any file format conflicts. This method returns the selected file and * FileFormat reader. * @param parent The parent of the dialog windows. * @param caption The dialog window titles. * @param dir The initial directory shown to the user. * @param filter A list of filters for limiting the files shown to the user. * See the QFileDialog documentation for format. If the string is empty, a * default list of all suitable registered formats will be used. * @return A FormatFilePair object containing the absolute file path and a * compatible file reader. If an error occurs, the format pointer will be * nullptr. */ static FormatFilePair fileToRead(QWidget* parent, const QString& caption = QString(), const QString& dir = QString(), const QString& filter = QString()); /** * @brief Show a QFileDialog to prompt the user for a file to save and resolve * any file format conflicts. This method returns the selected file and * FileFormat writer. * @param parent The parent of the dialog windows. * @param caption The dialog window titles. * @param dir The initial directory shown to the user. * @param filter A list of filters for limiting the files shown to the user. * See the QFileDialog documentation for format. If the string is empty, a * default list of all suitable registered formats will be used. * @return A FormatFilePair object containing the absolute file path and a * compatible file writer. If an error occurs, the format pointer will be * nullptr. */ static FormatFilePair fileToWrite(QWidget* parent, const QString& caption = QString(), const QString& dir = QString(), const QString& filter = QString()); /** * Given a filename and a set of Io::FileFormat::Operation flags, find a * suitable file format from the FileFormatManager. If multiple readers are * found, ask the user to select one. If no suitable format is found, return * nullptr. * @param parentWidget Parent for any dialog windows that will appear. * @param caption Window title for any dialog windows. * @param fileName Filename to use when searching for a format. Formats are * chosen based on the file extension. * @param formatFlags Operations that the format must support. Most likely * (Io::FileFormat::)Read | File or Write | File. * @param formatPrefix Filter on the supplied prefix (default to none). * @return The selected matching reader, or nullptr if no reader is found. */ static const Io::FileFormat* findFileFormat( QWidget* parentWidget, const QString& caption, const QString& fileName, const Io::FileFormat::Operations formatFlags, const QString& formatPrefix = QString()); private: /** * Constructor is private for now to force use of static methods. This * may be made public at some point if additional API is needed or more * complex use cases arise. */ explicit FileFormatDialog(QWidget* parent = nullptr); ~FileFormatDialog() override; /** * @return A filter string for use with a QFileDialog, containing entries * for all file extensions registered with FileFormatManager, as well as a * "catch-all" entry with all known formats, and an "All files (*)" entry. * Only formats registered with (Read | File) will be used. */ static QString readFileFilter(); /** * @return A filter string for use with a QFileDialog, containing entries * for all file extensions registered with FileFormatManager. An * "All files (*)" entry is added as well. * Only formats registered with (Write | File) will be used. */ static QString writeFileFilter(); /** * Used internally by readFileFilter() and writeFileFilter(). * @{ */ public: // Must be public for operator declarations enum FilterStringOption { NoFilterStringOption = 0x0, AllFormats = 0x1, AllFiles = 0x2, WriteFormats = 0x4, }; Q_DECLARE_FLAGS(FilterStringOptions, FilterStringOption) private: static QString generateFilterString( const std::vector& ffs, FilterStringOptions options); /** @} */ /** * Show a dialog to resolve file format conflicts. This allows the user to * select between multiple instances of FileFormat that can handle their * chosen file extension. * @param parentWidget Widget to use as dialog parent. * @param ffs Conflicting FileFormats that the user should choose from. * @param caption The title of the dialog window. * @param prompt The text in the dialog window. * @param settingsKey An optional QSettings key that will be used to * store the user's choice for initializing the dialog next time. * @return The selected FileFormat instance. */ static const Io::FileFormat* selectFileFormat( QWidget* parentWidget, const std::vector& ffs, const QString& caption, const QString& prompt, const QString& settingsKey = QString(), const QString& formatPrefix = QString()); }; } // namespace QtGui } // namespace Avogadro Q_DECLARE_OPERATORS_FOR_FLAGS( Avogadro::QtGui::FileFormatDialog::FilterStringOptions) #endif // AVOGADRO_QTGUI_FILEFORMATDIALOG_H avogadrolibs-1.100.0/avogadro/qtgui/gaussiansetconcurrent.cpp000066400000000000000000000105241474375334400244350ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "gaussiansetconcurrent.h" #include #include #include #include #include #include namespace Avogadro::QtGui { using Core::BasisSet; using Core::Cube; using Core::GaussianSet; using Core::GaussianSetTools; using Core::Molecule; template class BasisSetConcurrent { void setMolecule(Molecule* mol) { static_cast(this)->setMolecule(mol); } }; struct GaussianShell { GaussianSetTools* tools; // A pointer to the tools, can't write to member vars Cube* tCube; // The target cube, used to initialise temp cubes too unsigned int pos; // The index of the point to calculate the MO for unsigned int state; // The MO number to calculate }; GaussianSetConcurrent::GaussianSetConcurrent(QObject* p) : QObject(p), m_gaussianShells(nullptr), m_set(nullptr), m_tools(nullptr) { // Watch for the future connect(&m_watcher, SIGNAL(finished()), this, SLOT(calculationComplete())); } GaussianSetConcurrent::~GaussianSetConcurrent() { delete m_gaussianShells; } void GaussianSetConcurrent::setMolecule(Core::Molecule* mol) { if (!mol) return; m_set = dynamic_cast(mol->basisSet()); delete m_tools; m_tools = new GaussianSetTools(mol); } bool GaussianSetConcurrent::calculateMolecularOrbital(Core::Cube* cube, unsigned int state, bool beta) { // We can do some initial set up of the tools here to set electron type. if (!beta) m_tools->setElectronType(BasisSet::Alpha); else m_tools->setElectronType(BasisSet::Beta); return setUpCalculation(cube, state, GaussianSetConcurrent::processOrbital); } bool GaussianSetConcurrent::calculateElectronDensity(Core::Cube* cube) { const MatrixX& matrix = m_set->densityMatrix(); if (matrix.rows() == 0 || matrix.cols() == 0) { // we don't have a density matrix, so calculate one m_set->generateDensityMatrix(); } return setUpCalculation(cube, 0, GaussianSetConcurrent::processDensity); } bool GaussianSetConcurrent::calculateSpinDensity(Core::Cube* cube) { return setUpCalculation(cube, 0, GaussianSetConcurrent::processSpinDensity); } void GaussianSetConcurrent::calculationComplete() { (*m_gaussianShells)[0].tCube->lock()->unlock(); delete m_gaussianShells; m_gaussianShells = nullptr; emit finished(); } bool GaussianSetConcurrent::setUpCalculation(Core::Cube* cube, unsigned int state, void (*func)(GaussianShell&)) { if (!m_set || !m_tools) return false; m_set->initCalculation(); // Set up the points we want to calculate the density at. m_gaussianShells = new QVector(static_cast(cube->data()->size())); for (int i = 0; i < m_gaussianShells->size(); ++i) { (*m_gaussianShells)[i].tools = m_tools; (*m_gaussianShells)[i].tCube = cube; (*m_gaussianShells)[i].pos = i; (*m_gaussianShells)[i].state = state; } // Lock the cube until we are done. cube->lock()->lock(); // The main part of the mapped reduced function... m_future = QtConcurrent::map(*m_gaussianShells, func); // Connect our watcher to our future m_watcher.setFuture(m_future); return true; } void GaussianSetConcurrent::processOrbital(GaussianShell& shell) { Vector3 pos = shell.tCube->position(shell.pos); shell.tCube->setValue( shell.pos, shell.tools->calculateMolecularOrbital(pos, shell.state)); } void GaussianSetConcurrent::processDensity(GaussianShell& shell) { Vector3 pos = shell.tCube->position(shell.pos); shell.tCube->setValue(shell.pos, shell.tools->calculateElectronDensity(pos)); } void GaussianSetConcurrent::processSpinDensity(GaussianShell& shell) { Vector3 pos = shell.tCube->position(shell.pos); shell.tCube->setValue(shell.pos, shell.tools->calculateSpinDensity(pos)); } } // namespace Avogadro::QtGui avogadrolibs-1.100.0/avogadro/qtgui/gaussiansetconcurrent.h000066400000000000000000000041331474375334400241010ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_GAUSSIANSETCONCURRENT_H #define AVOGADRO_QTGUI_GAUSSIANSETCONCURRENT_H #include "avogadroqtguiexport.h" #include #include #include namespace Avogadro { namespace Core { class Cube; class Molecule; class GaussianSet; class GaussianSetTools; } // namespace Core namespace QtGui { struct GaussianShell; /** * @brief The GaussianSetConcurrent class uses GaussianSetTools to calculate * values of electronic structure properties from quantum output read in. * @author Marcus D. Hanwell */ class AVOGADROQTGUI_EXPORT GaussianSetConcurrent : public QObject { Q_OBJECT public: explicit GaussianSetConcurrent(QObject* p = nullptr); ~GaussianSetConcurrent() override; void setMolecule(Core::Molecule* mol); bool calculateMolecularOrbital(Core::Cube* cube, unsigned int state, bool beta = false); bool calculateElectronDensity(Core::Cube* cube); bool calculateSpinDensity(Core::Cube* cube); QFutureWatcher& watcher() { return m_watcher; } signals: /** * Emitted when the calculation is complete. */ void finished(); private slots: /** * Slot to set the cube data once Qt Concurrent is done */ void calculationComplete(); private: QFuture m_future; QFutureWatcher m_watcher; Core::Cube* m_cube; QVector* m_gaussianShells; Core::GaussianSet* m_set; Core::GaussianSetTools* m_tools; bool setUpCalculation(Core::Cube* cube, unsigned int state, void (*func)(GaussianShell&)); static void processOrbital(GaussianShell& shell); static void processDensity(GaussianShell& shell); static void processSpinDensity(GaussianShell& shell); }; } // namespace QtGui } // namespace Avogadro #endif // GAUSSIANSETCONCURRENT_H avogadrolibs-1.100.0/avogadro/qtgui/generichighlighter.cpp000066400000000000000000000066531474375334400236470ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "generichighlighter.h" #include namespace Avogadro::QtGui { GenericHighlighter::GenericHighlighter(QObject* parent_) : QSyntaxHighlighter(parent_) { } GenericHighlighter::~GenericHighlighter() {} GenericHighlighter::GenericHighlighter(const GenericHighlighter& other) : QSyntaxHighlighter(static_cast(nullptr)) { m_rules = other.m_rules; } GenericHighlighter& GenericHighlighter::operator=(GenericHighlighter other) { swap(*this, other); return *this; } GenericHighlighter& GenericHighlighter::operator+=( const GenericHighlighter& other) { m_rules.append(other.m_rules); return *this; } GenericHighlighter::Rule& GenericHighlighter::addRule() { m_rules.push_back(Rule()); return m_rules.back(); } int GenericHighlighter::ruleCount() const { return m_rules.size(); } GenericHighlighter::Rule& GenericHighlighter::rule(int idx) { assert("idx in bounds" && idx < m_rules.size()); return m_rules[idx]; } const GenericHighlighter::Rule& GenericHighlighter::rule(int idx) const { assert("idx in bounds" && idx < m_rules.size()); return m_rules[idx]; } QList GenericHighlighter::rules() const { return m_rules; } void GenericHighlighter::highlightBlock(const QString& text) { for (auto& m_rule : m_rules) m_rule.apply(text, *this); } void GenericHighlighter::Rule::apply(const QString& text, GenericHighlighter& highlighter) { for (auto& m_pattern : m_patterns) { // each m_pattern is a QRegularExpression // We want to highlight every occurrence of m_pattern QRegularExpressionMatchIterator iterator = m_pattern.globalMatch(text); while (iterator.hasNext()) { QRegularExpressionMatch match = iterator.next(); // If using a regex with capture groups defined, we explicitly don't want // to highlight the whole expression, only the capture groups if (m_pattern.captureCount() > 0) { // Iterate over capture groups, skipping the implicit group 0 for (int i = 1; i <= match.lastCapturedIndex(); ++i) { QString captured = match.captured(i); if (!captured.isNull()) { // According to StackOverflow user "peppe", who claims to have // written the whole QRegularExpression class, the index returned is // relative to the whole string, not to the current match // https://stackoverflow.com/questions/28725588/qregularexpression-match-position-in-the-source-string int index = match.capturedStart(i); int length = match.capturedLength(i); highlighter.setFormat(index, length, m_format); } } } else { // Straightforward regex with no capture groups, highlight whole match int index = match.capturedStart(0); int length = match.capturedLength(0); highlighter.setFormat(index, length, m_format); } } } } void GenericHighlighter::Rule::addPattern(const QRegularExpression& regexp) { m_patterns.append(regexp); } void GenericHighlighter::Rule::setFormat(const QTextCharFormat& format) { m_format = format; } } // namespace Avogadro::QtGui avogadrolibs-1.100.0/avogadro/qtgui/generichighlighter.h000066400000000000000000000054771474375334400233170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_GENERICHIGHLIGHTER_H #define AVOGADRO_QTPLUGINS_GENERICHIGHLIGHTER_H #include "avogadroqtguiexport.h" #include #include #include #include namespace Avogadro { namespace QtGui { /** * @brief The GenericHighlighter class provides a regexp-based programmable * syntax highlighter. */ class AVOGADROQTGUI_EXPORT GenericHighlighter : public QSyntaxHighlighter { Q_OBJECT public: /** * @brief The Rule class stores a syntax highlighting rule as a set of * QRegularExpression patterns and a text format. */ class AVOGADROQTGUI_EXPORT Rule { public: Rule() {} ~Rule() {} /** Add the pattern @a regexp to this Rule. */ void addPattern(const QRegularExpression& regexp); /** Set this Rule's text format. */ void setFormat(const QTextCharFormat& format); /** Apply this rule to the string of text, updating the highlighter if any * matches are found. */ void apply(const QString& text, GenericHighlighter& highlighter); private: QList m_patterns; QTextCharFormat m_format; }; /** Construct a highlighter with an empty rule set. */ explicit GenericHighlighter(QObject* parent_ = nullptr); ~GenericHighlighter() override; /** Construct a new highlighter using the rule set of @a other. */ GenericHighlighter(const GenericHighlighter& other); /** Replace this highlighter's rule set with that of @a other. */ GenericHighlighter& operator=(GenericHighlighter other); /** Concatenate @a other's rule set with this highlighter's rule set. */ GenericHighlighter& operator+=(const GenericHighlighter& other); /** Add a new rule to this highlighter, returning a reference to the new * rule. */ Rule& addRule(); /** @return The number of rules in this highlighter. */ int ruleCount() const; /** @return A reference to the rule at the specified zero-based index. */ Rule& rule(int idx); /** @return A reference to the rule at the specified zero-based index. */ const Rule& rule(int idx) const; /** @return An ordered list of this highlighter's rules. */ QList rules() const; friend void swap(GenericHighlighter& first, GenericHighlighter& second) { using std::swap; swap(first.m_rules, second.m_rules); } protected: void highlightBlock(const QString& text) override; private: QList m_rules; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_GENERICHIGHLIGHTER_H avogadrolibs-1.100.0/avogadro/qtgui/hydrogentools.cpp000066400000000000000000000201061474375334400227010ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "hydrogentools.h" #include "../core/mdlvalence_p.h" #include #include #include #include #include // C'mon windows.... #ifndef M_PI #define M_PI 3.14159265358979323846 #endif // Angle of tetrahedron #define M_TETRAHED 109.47122063449069389 using Avogadro::Vector3; using Avogadro::Core::Array; using Avogadro::Core::atomValence; using Avogadro::QtGui::RWAtom; using Avogadro::QtGui::RWBond; using Avogadro::QtGui::RWMolecule; namespace { typedef Avogadro::Core::Array NeighborListType; inline unsigned int countExistingBonds(const NeighborListType& bonds) { unsigned int result(0); for (auto bond : bonds) { result += static_cast(bond.order()); } return result; } inline unsigned int lookupValency(const RWAtom& atom, unsigned int numExistingBonds) { signed char charge = atom.formalCharge(); return atomValence(atom.atomicNumber(), charge, numExistingBonds); } inline float hydrogenBondDistance(unsigned char otherAtomicNumber) { static double hCovRadius(Avogadro::Core::Elements::radiusCovalent(1)); double covRadius = Avogadro::Core::Elements::radiusCovalent(otherAtomicNumber); return static_cast(hCovRadius + covRadius); } } // end anon namespace namespace Avogadro::QtGui { void HydrogenTools::removeAllHydrogens(RWMolecule& molecule) { const Array atomicNums(molecule.atomicNumbers()); size_t atomIndex = molecule.atomCount() - 1; for (auto it = atomicNums.rbegin(), itEnd = atomicNums.rend(); it != itEnd; ++it, --atomIndex) { if (*it == 1) molecule.removeAtom(atomIndex); } } void HydrogenTools::adjustHydrogens(RWMolecule& molecule, Adjustment adjustment) { // This vector stores indices of hydrogens that need to be removed. Additions // are made first, followed by removals to keep indexing sane. std::vector badHIndices; // Temporary container for calls to generateNewHydrogenPositions. std::vector newHPos; // Convert the adjustment option to a couple of booleans bool doAdd(adjustment == Add || adjustment == AddAndRemove); bool doRemove(adjustment == Remove || adjustment == AddAndRemove); // Limit to only the original atoms: const size_t numAtoms = molecule.atomCount(); // Iterate through all atoms in the molecule, adding hydrogens as needed // and building up a list of hydrogens that should be removed. for (size_t atomIndex = 0; atomIndex < numAtoms; ++atomIndex) { const RWAtom atom(molecule.atom(atomIndex)); int hDiff = valencyAdjustment(atom); // Add hydrogens: if (doAdd && hDiff > 0) { newHPos.clear(); generateNewHydrogenPositions(atom, hDiff, newHPos); for (auto & newHPo : newHPos) { RWAtom newH(molecule.addAtom(1)); newH.setPosition3d(newHPo); molecule.addBond(atom, newH, 1); } } // Add bad hydrogens to our list of hydrogens to remove: else if (doRemove && hDiff < 0) { extraHydrogenIndices(atom, -hDiff, badHIndices); } } // Remove dead hydrogens now. Remove them in reverse-index order to keep // indexing sane. if (doRemove && !badHIndices.empty()) { std::sort(badHIndices.begin(), badHIndices.end()); auto newEnd( std::unique(badHIndices.begin(), badHIndices.end())); badHIndices.resize(std::distance(badHIndices.begin(), newEnd)); for (auto it = badHIndices.rbegin(), itEnd = badHIndices.rend(); it != itEnd; ++it) { molecule.removeAtom(*it); } } } void HydrogenTools::adjustHydrogens(RWAtom& atom, Adjustment adjustment) { // Convert the adjustment option to a couple of booleans bool doAdd(adjustment == Add || adjustment == AddAndRemove); bool doRemove(adjustment == Remove || adjustment == AddAndRemove); // convenience RWMolecule* molecule = atom.molecule(); if (molecule == nullptr) return; if (doRemove) { // get the list of hydrogens connected to this std::vector badHIndices; const NeighborListType bonds(molecule->bonds(atom)); for (auto bond : bonds) { const RWAtom otherAtom = bond.getOtherAtom(atom); if (otherAtom.atomicNumber() == 1) { badHIndices.push_back(otherAtom.index()); } } // end loop through bonds std::sort(badHIndices.begin(), badHIndices.end()); auto newEnd( std::unique(badHIndices.begin(), badHIndices.end())); badHIndices.resize(std::distance(badHIndices.begin(), newEnd)); for (auto it = badHIndices.rbegin(), itEnd = badHIndices.rend(); it != itEnd; ++it) { molecule->removeAtom(*it); } } // end removing H atoms on this one int hDiff = valencyAdjustment(atom); // Add hydrogens: if (doAdd && hDiff > 0) { // Temporary container for calls to generateNewHydrogenPositions. std::vector newHPos; generateNewHydrogenPositions(atom, hDiff, newHPos); for (auto & newHPo : newHPos) { RWAtom newH(molecule->addAtom(1)); newH.setPosition3d(newHPo); molecule->addBond(atom, newH, 1); } } } int HydrogenTools::valencyAdjustment(const RWAtom& atom) { int result = 0; if (atom.isValid()) { const NeighborListType bonds(atom.molecule()->bonds(atom)); // sum of bond orders const unsigned int numberOfBonds(countExistingBonds(bonds)); const unsigned int valency(lookupValency(atom, numberOfBonds)); result = static_cast(valency) - static_cast(numberOfBonds); } // qDebug() << " valence adjustment " << result; return result; } int HydrogenTools::extraHydrogenIndices(const RWAtom& atom, int numberOfHydrogens, std::vector& indices) { if (!atom.isValid()) return 0; int result = 0; const NeighborListType bonds(atom.molecule()->bonds(atom)); for (auto it = bonds.begin(), itEnd = bonds.end(); it != itEnd && result < numberOfHydrogens; ++it) { const RWAtom otherAtom = it->getOtherAtom(atom); if (otherAtom.atomicNumber() == 1) { indices.push_back(otherAtom.index()); ++result; } } return result; } void HydrogenTools::generateNewHydrogenPositions( const RWAtom& atom, int numberOfHydrogens, std::vector& positions) { if (!atom.isValid()) return; // Get the hybridization Core::AtomHybridization hybridization = atom.hybridization(); if (hybridization == Core::HybridizationUnknown) { // Perceive it hybridization = Core::AtomUtilities::perceiveHybridization( Core::Atom(dynamic_cast(&atom.molecule()->molecule()), atom.index()) ); } const Avogadro::Real bondLength = hydrogenBondDistance(atom.atomicNumber()); // Get a list of all bond vectors (normalized, pointing away from 'atom') std::vector allVectors; const NeighborListType bonds(atom.molecule()->bonds(atom)); allVectors.reserve(bonds.size() + static_cast(numberOfHydrogens)); for (auto bond : bonds) { RWAtom otherAtom = bond.getOtherAtom(atom); Vector3 delta = otherAtom.position3d() - atom.position3d(); if (!delta.isZero(1e-5)) { allVectors.push_back(delta.normalized()); } } for (int impHIndex = 0; impHIndex < numberOfHydrogens; ++impHIndex) { // First try to derive the bond vector based on the hybridization // Fallback will be to a random vector Vector3 newPos = Core::AtomUtilities::generateNewBondVector( Core::Atom(dynamic_cast(&atom.molecule()->molecule()), atom.index()), allVectors, hybridization ); allVectors.push_back(newPos); positions.emplace_back(atom.position3d() + (newPos * bondLength)); } } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtgui/hydrogentools.h000066400000000000000000000063771474375334400223640ustar00rootroot00000000000000/****************************************************************************** This source file is part of the MoleQueue project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_HYDROGENTOOLS_H #define AVOGADRO_QTGUI_HYDROGENTOOLS_H #include "avogadroqtguiexport.h" #include #include #include namespace Avogadro { namespace QtGui { class RWAtom; class RWMolecule; class AVOGADROQTGUI_EXPORT HydrogenTools { public: /** * Remove all hydrogen atoms from @a molecule. */ static void removeAllHydrogens(RWMolecule& molecule); /** * Enum values that control the adjustHydrogen function's behavior. */ enum Adjustment { /** Only add hydrogens to underbonded atoms. */ Add = 0, /** Only remove hydrogens from overbonded atoms. */ Remove, /** Add hydrogens to underbonded atoms and remove hydrogens from * overbonded atoms. */ AddAndRemove }; /** * Add/remove hydrogens on @a molecule to satisfy valency. */ static void adjustHydrogens(RWMolecule& molecule, Adjustment adjustment = AddAndRemove); /** * Add/remove hydrogens on @a atom to satisfy valency. */ static void adjustHydrogens(RWAtom& atom, Adjustment adjustment = AddAndRemove); /** * @return The number of bonds that need to be added or removed from * @a atom to satisfy valency. A positive number indicates the number of * bonds to add, a negative number indicates the number of bonds that need to * be removed. */ static int valencyAdjustment(const RWAtom& atom); /** * Obtain the indices of hydrogens that can be removed from @a atom. * @param atom The atom from which to prune hydrogens. * @param numberOfHydrogens The maximum number of hydrogens to prune. * @param indices A vector that will be appended with the indices of the * hydrogens to remove. * @return The number of hydrogen indices appended to @a indices. * @note This function modifies neither @a atom nor its parent molecule. It * only pushes the indices of hydrogens to remove to the end of @a indices. */ static int extraHydrogenIndices(const RWAtom& atom, int numberOfHydrogens, std::vector& indices); /** * Generate positions for @a numberOfHydrogens hydrogens bonded to @a atom. * @param positions Vector of positions that will be appended with @a * numberOfHydrogens hydrogen locations. * @note There is nothing intelligent going on here. The new positions are * randomly oriented and have a length that is the sum of @a atom's and * hydrogen's covalent radii. 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`BO<#4wA^i:?::$dVHHt4jϳ1ɝY#&O+&&fG#G'dn^qzraalPllaarz:=䏲~ ┪tcv:˂fP-mn'ȞނEǫ ,++܍MQM-jA|2mlǓ_gjX y:} #include #include #include #include #include #include #include #include #include namespace Avogadro::QtGui { class InsertFragmentDialog::Private { public: QFileSystemModel* model; SortFilterTreeProxyModel* proxy; QModelIndex proxyRoot; QString currentFileName; bool crystalFiles; // are we inserting crystals (i.e., don't center) ~Private() { delete model; // proxy is handled through the model } }; InsertFragmentDialog::InsertFragmentDialog(QWidget* aParent, QString directory) : QDialog(aParent), m_ui(new Ui::InsertFragmentDialog), m_implementation(new Private) { setWindowFlags(Qt::Dialog | Qt::Tool); m_ui->setupUi(this); // to start, hide the preview m_ui->preview->hide(); m_implementation->currentFileName.clear(); if (directory.contains(QLatin1String("crystals"))) m_implementation->crystalFiles = true; else m_implementation->crystalFiles = false; // we check for the downloaded version first QStringList dirs; QStringList stdPaths = QStandardPaths::standardLocations(QStandardPaths::AppLocalDataLocation); foreach (const QString& dirStr, stdPaths) { QString path = dirStr + "/data"; dirs << path; // we'll check if these exist below } // add in paths relative to the binary (e.g. for development) dirs << QCoreApplication::applicationDirPath() + "/../" + QtGui::Utilities::dataDirectory() + "/avogadro2"; #ifdef Q_WS_X11 dirs << QString(INSTALL_PREFIX) + "/share/avogadro2/"; #else // Mac and Windows use relative path from application location dirs << QCoreApplication::applicationDirPath() + "/../share/avogadro2"; #endif QString m_directory; QDir dir; foreach (const QString& dirStr, dirs) { qDebug() << "Checking for " << directory << " data in" << dirStr; QDir dir(dirStr + '/' + directory); if (dir.exists() && dir.isReadable()) { m_directory = dir.absolutePath(); break; } } if (m_directory.isEmpty()) { // Can't really do anything! m_ui->directoryTreeView->setEnabled(false); m_ui->insertFragmentButton->setEnabled(false); m_ui->filterLineEdit->setEnabled(false); return; } m_implementation->model = new QFileSystemModel(this); m_implementation->model->setReadOnly(true); QModelIndex rootIndex = m_implementation->model->setRootPath(m_directory); QStringList filters; if (m_implementation->crystalFiles) filters << "*.cif"; else filters << "*.cjson" << "*.cml"; m_implementation->model->setNameFilters(filters); m_implementation->proxy = new SortFilterTreeProxyModel(this); m_implementation->proxy->setSourceModel(m_implementation->model); m_implementation->proxy->setSortLocaleAware(true); // important for files // map from the root path to the proxy index m_implementation->proxyRoot = m_implementation->proxy->mapFromSource(rootIndex); // Our custom class needs this to prevent becoming rootless m_implementation->proxy->setSourceRoot(rootIndex); m_ui->directoryTreeView->setModel(m_implementation->proxy); // remember to map from the source to the proxy index m_ui->directoryTreeView->setRootIndex(m_implementation->proxyRoot); // hide everything but the filename for (int i = 1; i < m_implementation->model->columnCount(); ++i) m_ui->directoryTreeView->hideColumn(i); m_ui->directoryTreeView->setSelectionMode(QAbstractItemView::SingleSelection); m_ui->directoryTreeView->setSelectionBehavior(QAbstractItemView::SelectRows); m_ui->directoryTreeView->setUniformRowHeights(true); connect(m_ui->insertFragmentButton, SIGNAL(clicked(bool)), this, SLOT(activated())); connect(m_ui->directoryTreeView, SIGNAL(doubleClicked(const QModelIndex)), this, SLOT(activated())); connect(m_ui->directoryTreeView, SIGNAL(activated(const QModelIndex)), this, SLOT(activated())); connect(m_ui->filterLineEdit, SIGNAL(textChanged(const QString&)), this, SLOT(filterTextChanged(const QString&))); connect(m_ui->directoryTreeView->selectionModel(), SIGNAL(currentChanged(const QModelIndex&, const QModelIndex&)), this, SLOT(currentChanged(const QModelIndex&, const QModelIndex&))); } InsertFragmentDialog::~InsertFragmentDialog() { delete m_ui; delete m_implementation; } QString InsertFragmentDialog::fileName() { if (m_implementation == nullptr || m_implementation->model == nullptr) return QString(); // The selected model index is in the proxy QModelIndexList selected = m_ui->directoryTreeView->selectionModel()->selectedIndexes(); if (selected.isEmpty()) { return QString(); } // Remember to map to the source model return selected.first().data(QFileSystemModel::FilePathRole).toString(); } void InsertFragmentDialog::currentChanged(const QModelIndex& selected, const QModelIndex& deselected) { Q_UNUSED(deselected) if (m_implementation == nullptr || m_implementation->model == nullptr) return; // Remember to map to the source model QString fileName = selected.data(QFileSystemModel::FilePathRole).toString(); QFileInfo info(fileName); if (!info.isDir()) { // get the PNG name QString pngName = info.absolutePath() + '/' + info.baseName() + ".png"; m_ui->preview->setIcon(QIcon(pngName)); m_ui->preview->show(); } else m_ui->preview->hide(); } void InsertFragmentDialog::refresh() { m_ui->directoryTreeView->update(); } void InsertFragmentDialog::filterTextChanged(const QString& newFilter) { if (!m_implementation || !m_implementation->proxy) return; // no dialog or proxy model to set // Allow things like "ti" to match "Ti" etc. QRegularExpression reg(newFilter, QRegularExpression::CaseInsensitiveOption); m_implementation->proxy->setFilterRegularExpression(reg); if (!newFilter.isEmpty()) { // user interface niceness -- show any file match m_ui->directoryTreeView->expandToDepth(2); } } void InsertFragmentDialog::activated() { QString currentFileName = fileName(); // check to see if it's an actual file and not a directory if (currentFileName.isEmpty() || !QFileInfo(currentFileName).isFile()) { return; } emit performInsert(currentFileName, m_implementation->crystalFiles); } } // namespace Avogadro::QtGui avogadrolibs-1.100.0/avogadro/qtgui/insertfragmentdialog.h000066400000000000000000000024741474375334400236660ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_INSERTFRAGMENTDIALOG_H #define AVOGADRO_QTGUI_INSERTFRAGMENTDIALOG_H #include "avogadroqtguiexport.h" #include namespace Avogadro { namespace QtGui { namespace Ui { class InsertFragmentDialog; } /** * @brief Dialog to prompt a format and descriptor string. */ class AVOGADROQTGUI_EXPORT InsertFragmentDialog : public QDialog { Q_OBJECT public: explicit InsertFragmentDialog(QWidget* parent = nullptr, QString directory = "molecules"); ~InsertFragmentDialog() override; QString fileName(); public Q_SLOTS: void refresh(); void filterTextChanged(const QString&); void activated(); void currentChanged(const QModelIndex& selected, const QModelIndex& deselected); Q_SIGNALS: void performInsert(const QString& fileName, bool crystal); private: Ui::InsertFragmentDialog* m_ui; class Private; Private* m_implementation; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_InsertFragmentDIALOG_H avogadrolibs-1.100.0/avogadro/qtgui/insertfragmentdialog.ui000066400000000000000000000054551474375334400240560ustar00rootroot00000000000000 Avogadro::QtGui::InsertFragmentDialog 0 0 412 376 Insert Fragment… Filter: Type a name or part of a name to show only matching files. border-radius: 4px; true 128 128 Qt::Horizontal Qt::Horizontal 40 20 Insert true false Qt::Horizontal 40 20 avogadrolibs-1.100.0/avogadro/qtgui/interfacescript.cpp000066400000000000000000000715071474375334400232010ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "interfacescript.h" #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtGui { using QtGui::GenericHighlighter; using QtGui::PythonScript; InterfaceScript::InterfaceScript(const QString& scriptFilePath_, QObject* parent_) : QObject(parent_), m_interpreter(new PythonScript(scriptFilePath_, this)), m_moleculeExtension(QStringLiteral("Unknown")) { } InterfaceScript::InterfaceScript(QObject* parent_) : QObject(parent_), m_interpreter(new PythonScript(this)), m_moleculeExtension(QStringLiteral("Unknown")) { } InterfaceScript::~InterfaceScript() {} bool InterfaceScript::debug() const { return m_interpreter->debug(); } QJsonObject InterfaceScript::options() const { m_errors.clear(); if (m_options.isEmpty()) { qDeleteAll(m_highlightStyles.values()); m_highlightStyles.clear(); // Retrieve/set options QByteArray json = m_interpreter->execute( QStringList() << QStringLiteral("--print-options")); if (m_interpreter->hasErrors()) { m_errors << m_interpreter->errorList(); return m_options; } QJsonDocument doc; if (!parseJson(json, doc)) return m_options; if (!doc.isObject()) { m_errors << tr("script --print-options output must be an JSON object " "at top level. Received:\n%1") .arg(json.constData()); return m_options; } m_options = doc.object(); if (m_options.contains(QStringLiteral("highlightStyles")) && m_options.value(QStringLiteral("highlightStyles")).isArray()) { if (!parseHighlightStyles( m_options.value(QStringLiteral("highlightStyles")).toArray())) { qDebug() << "Failed to parse highlighting styles."; } } } // Check if the generator needs to read a molecule. m_moleculeExtension = QLatin1String("cjson"); if (m_options.contains(QStringLiteral("inputMoleculeFormat")) && m_options[QStringLiteral("inputMoleculeFormat")].isString()) { m_moleculeExtension = m_options[QStringLiteral("inputMoleculeFormat")].toString(); } return m_options; } QString InterfaceScript::displayName() const { m_errors.clear(); if (m_displayName.isEmpty()) { m_displayName = QString(m_interpreter->execute( QStringList() << QStringLiteral("--display-name"))); m_errors << m_interpreter->errorList(); m_displayName = m_displayName.trimmed(); } return m_displayName; } QString InterfaceScript::menuPath() const { m_errors.clear(); if (m_menuPath.isEmpty()) { m_menuPath = QString( m_interpreter->execute(QStringList() << QStringLiteral("--menu-path"))); m_errors << m_interpreter->errorList(); m_menuPath = m_menuPath.trimmed(); } return m_menuPath; } QString InterfaceScript::scriptFilePath() const { return m_interpreter->scriptFilePath(); } void InterfaceScript::setScriptFilePath(const QString& scriptFile) { reset(); m_interpreter->setScriptFilePath(scriptFile); } void InterfaceScript::reset() { m_interpreter->setDefaultPythonInterpreter(); m_interpreter->setScriptFilePath(QString()); m_moleculeExtension = QLatin1String("Unknown"); m_displayName = QString(); m_options = QJsonObject(); m_warnings.clear(); m_errors.clear(); m_filenames.clear(); m_mainFileName.clear(); m_files.clear(); m_fileHighlighters.clear(); m_highlightStyles.clear(); } bool InterfaceScript::runCommand(const QJsonObject& options_, Core::Molecule* mol) { m_errors.clear(); m_warnings.clear(); m_filenames.clear(); qDeleteAll(m_fileHighlighters.values()); m_fileHighlighters.clear(); m_mainFileName.clear(); m_files.clear(); // Add the molecule file to the options QJsonObject allOptions(options_); if (!insertMolecule(allOptions, *mol)) return false; connect(m_interpreter, &PythonScript::finished, this, &::Avogadro::QtGui::InterfaceScript::commandFinished); m_interpreter->asyncExecute(QStringList() << QStringLiteral("--run-command"), QJsonDocument(allOptions).toJson()); return true; } void InterfaceScript::commandFinished() { emit finished(); } bool InterfaceScript::processCommand(Core::Molecule* mol) { if (m_interpreter == nullptr) return false; QByteArray json(m_interpreter->asyncResponse()); if (m_interpreter->hasErrors()) { m_errors << m_interpreter->errorList(); return false; } QJsonDocument doc; if (!parseJson(json, doc)) { return false; } // Update cache bool result = true; if (doc.isObject()) { QJsonObject obj = doc.object(); // Check for any warnings: if (obj.contains(QStringLiteral("warnings"))) { if (obj[QStringLiteral("warnings")].isArray()) { foreach (const QJsonValue& warning, obj["warnings"].toArray()) { if (warning.isString()) m_warnings << warning.toString(); else m_errors << tr("Non-string warning returned."); } } else { m_errors << tr("'warnings' member is not an array."); } } m_moleculeExtension = "cjson"; if (obj.contains("moleculeFormat") && obj["moleculeFormat"].isString()) { m_moleculeExtension = obj["moleculeFormat"].toString(); } Io::FileFormatManager& formats = Io::FileFormatManager::instance(); QScopedPointer format( formats.newFormatFromFileExtension(m_moleculeExtension.toStdString())); if (format.isNull()) { m_errors << tr("Error reading molecule representation: " "Unrecognized file format: %1") .arg(m_moleculeExtension); return false; } auto* guiMol = static_cast(mol); QtGui::Molecule newMol(guiMol->parent()); if (m_moleculeExtension == "cjson") { // convert the "cjson" field to a string QJsonObject cjsonObj = obj["cjson"].toObject(); QJsonDocument doc2(cjsonObj); QString strCJSON(doc2.toJson(QJsonDocument::Compact)); if (!strCJSON.isEmpty()) { result = format->readString(strCJSON.toStdString(), newMol); } } else if (obj.contains(m_moleculeExtension) && obj[m_moleculeExtension].isString()) { QString strFile = obj[m_moleculeExtension].toString(); result = format->readString(strFile.toStdString(), newMol); } // check if the script wants us to perceive bonds first if (obj["bond"].toBool()) { newMol.perceiveBondsSimple(); newMol.perceiveBondOrders(); } // how do we handle this result? if (obj["readProperties"].toBool()) { guiMol->readProperties(newMol); guiMol->emitChanged(Molecule::Properties | Molecule::Added); } else if (obj["append"].toBool()) { guiMol->undoMolecule()->appendMolecule(newMol, m_displayName); } else { // replace the whole molecule Molecule::MoleculeChanges changes = (Molecule::Atoms | Molecule::Bonds | Molecule::Added | Molecule::Removed); guiMol->undoMolecule()->modifyMolecule(newMol, changes, m_displayName); } // select some atoms if (obj.contains("selectedAtoms") && obj["selectedAtoms"].isArray()) { QJsonArray selectedList = obj["selectedAtoms"].toArray(); for (int i = 0; i < selectedList.size(); ++i) { if (selectedList[i].isDouble()) { Index index = static_cast(selectedList[i].toDouble()); if (index >= 0 && index < guiMol->atomCount()) guiMol->undoMolecule()->setAtomSelected(index, true); } } guiMol->emitChanged(Molecule::Atoms); } // check if there are messages for the user if (obj.contains("message")) { QString message; if (obj["message"].isString()) message = obj["message"].toString(); else if (obj["message"].isArray()) { QJsonArray messageList = obj["message"].toArray(); for (int i = 0; i < messageList.size(); ++i) { if (messageList[i].isString()) message += messageList[i].toString() + "\n"; } } if (!message.isEmpty()) { QMessageBox::information(qobject_cast(parent()), tr("%1 Message").arg(m_displayName), message); } } } return result; } bool InterfaceScript::generateInput(const QJsonObject& options_, const Core::Molecule& mol) { m_errors.clear(); m_warnings.clear(); m_filenames.clear(); qDeleteAll(m_fileHighlighters.values()); m_fileHighlighters.clear(); m_mainFileName.clear(); m_files.clear(); // Add the molecule file to the options QJsonObject allOptions(options_); if (!insertMolecule(allOptions, mol)) return false; QByteArray json( m_interpreter->execute(QStringList() << QStringLiteral("--generate-input"), QJsonDocument(allOptions).toJson())); if (m_interpreter->hasErrors()) { m_errors << m_interpreter->errorList(); return false; } QJsonDocument doc; if (!parseJson(json, doc)) return false; // Update cache bool result = true; if (doc.isObject()) { QJsonObject obj = doc.object(); // Check for any warnings: if (obj.contains(QStringLiteral("warnings"))) { if (obj[QStringLiteral("warnings")].isArray()) { foreach (const QJsonValue& warning, obj["warnings"].toArray()) { if (warning.isString()) m_warnings << warning.toString(); else m_errors << tr("Non-string warning returned."); } } else { m_errors << tr("'warnings' member is not an array."); } } // Extract input file text: if (obj.contains(QStringLiteral("files"))) { if (obj[QStringLiteral("files")].isArray()) { foreach (const QJsonValue& file, obj["files"].toArray()) { if (file.isObject()) { QJsonObject fileObj = file.toObject(); if (fileObj[QStringLiteral("filename")].isString()) { QString fileName = fileObj[QStringLiteral("filename")].toString(); QString contents; if (fileObj[QStringLiteral("contents")].isString()) { contents = fileObj[QStringLiteral("contents")].toString(); } else if (fileObj[QStringLiteral("filePath")].isString()) { QFile refFile(fileObj[QStringLiteral("filePath")].toString()); if (refFile.exists() && refFile.open(QFile::ReadOnly)) { contents = QString(refFile.readAll()); } else { contents = tr("Reference file '%1' does not exist.") .arg(refFile.fileName()); m_warnings << tr("Error populating file %1: %2") .arg(fileName, contents); } } else { m_errors << tr("File '%1' poorly formed. Missing string " "'contents' or 'filePath' members.") .arg(fileName); contents = m_errors.back(); result = false; } replaceKeywords(contents, mol); m_filenames << fileName; m_files.insert(fileObj[QStringLiteral("filename")].toString(), contents); // Concatenate the requested styles for this input file. if (fileObj[QStringLiteral("highlightStyles")].isArray()) { auto* highlighter(new GenericHighlighter(this)); foreach (const QJsonValue& styleVal, fileObj["highlightStyles"].toArray()) { if (styleVal.isString()) { QString styleName(styleVal.toString()); if (m_highlightStyles.contains(styleName)) { *highlighter += *m_highlightStyles[styleName]; } else { qDebug() << "Cannot find highlight style '" << styleName << "' for file '" << fileName << "'"; } } } if (highlighter->ruleCount() > 0) m_fileHighlighters[fileName] = highlighter; else highlighter->deleteLater(); } } else { result = false; m_errors << tr("Malformed file entry: filename/contents missing" " or not strings:\n%1") .arg(QString(QJsonDocument(fileObj).toJson())); } // end if/else filename and contents are strings } else { result = false; m_errors << tr("Malformed file entry at index %1: Not an object.") .arg(m_filenames.size()); } // end if/else file is JSON object } // end foreach file } else { result = false; m_errors << tr("'files' member not an array."); } // end if obj["files"] is JSON array } else { result = false; m_errors << tr("'files' member missing."); } // end if obj contains "files" // Extract main input filename: if (obj.contains(QStringLiteral("mainFile"))) { if (obj[QStringLiteral("mainFile")].isString()) { QString mainFile = obj[QStringLiteral("mainFile")].toString(); if (m_filenames.contains(mainFile)) { m_mainFileName = mainFile; } else { result = false; m_errors << tr("'mainFile' member does not refer to an entry in " "'files'."); } // end if/else mainFile is known } else { result = false; m_errors << tr("'mainFile' member must be a string."); } // end if/else mainFile is string } else { // If no mainFile is specified and there is only one file, use it as the // main file. Otherwise, don't set a main input file -- all files will // be treated as supplemental input files if (m_filenames.size() == 1) m_mainFileName = m_filenames.first(); } // end if/else object contains mainFile } else { result = false; m_errors << tr("Response must be a JSON object at top-level."); } if (result == false) m_errors << tr("Script output:\n%1").arg(QString(json)); return result; } int InterfaceScript::numberOfInputFiles() const { return m_filenames.size(); } QStringList InterfaceScript::fileNames() const { return m_filenames; } QString InterfaceScript::mainFileName() const { return m_mainFileName; } QString InterfaceScript::fileContents(const QString& fileName) const { return m_files.value(fileName, QString()); } GenericHighlighter* InterfaceScript::createFileHighlighter( const QString& fileName) const { GenericHighlighter* toClone(m_fileHighlighters.value(fileName, nullptr)); return toClone ? new GenericHighlighter(*toClone) : toClone; } void InterfaceScript::setDebug(bool d) { m_interpreter->setDebug(d); } bool InterfaceScript::parseJson(const QByteArray& json, QJsonDocument& doc) const { QJsonParseError error; doc = QJsonDocument::fromJson(json, &error); if (error.error != QJsonParseError::NoError) { m_errors << tr("Parse error at offset %L1: '%2'\nRaw JSON:\n\n%3") .arg(error.offset) .arg(error.errorString()) .arg(QString(json)); return false; } return true; } bool InterfaceScript::insertMolecule(QJsonObject& json, const Core::Molecule& mol) const { // Update the cached options if the format is not set if (m_moleculeExtension == QLatin1String("Unknown")) options(); if (m_moleculeExtension == QLatin1String("None")) return true; // Always insert the selected atoms QJsonArray selectedList; for (Index i = 0; i < mol.atomCount(); ++i) { if (mol.atomSelected(i)) selectedList.append(static_cast(i)); } json.insert("selectedAtoms", selectedList); // insert the total charge json.insert("charge", mol.totalCharge()); // insert the spin multiplicity json.insert("spin", mol.totalSpinMultiplicity()); Io::FileFormatManager& formats = Io::FileFormatManager::instance(); QScopedPointer format( formats.newFormatFromFileExtension(m_moleculeExtension.toStdString())); QScopedPointer cjsonFormat( formats.newFormatFromFileExtension("cjson")); // If we want something *other* than CJSON, check that we can supply that // format if (format.isNull()) { m_errors << tr("Error writing molecule representation to string: " "Unrecognized file format: %1") .arg(m_moleculeExtension); return false; } std::string str; if (!format->writeString(str, mol)) { m_errors << tr("Error writing molecule representation to string: %1") .arg(QString::fromStdString(format->error())); return false; } // if we need a different format, insert it if (m_moleculeExtension != QLatin1String("cjson")) { json.insert(m_moleculeExtension, QJsonValue(QString::fromStdString(str))); } // We will *always* write the CJSON representation // Embed CJSON as actual JSON, rather than a string, // .. so we'll have to re-parse it cjsonFormat->writeString(str, mol); QJsonParseError error; QJsonDocument doc = QJsonDocument::fromJson(str.c_str(), &error); if (error.error != QJsonParseError::NoError) { m_errors << tr("Error generating cjson object: Parse error at offset %1: " "%2\nRaw JSON:\n\n%3") .arg(error.offset) .arg(error.errorString()) .arg(QString::fromStdString(str)); return false; } if (!doc.isObject()) { m_errors << tr("Error generator cjson object: Parsed JSON is not an " "object:\n%1") .arg(QString::fromStdString(str)); return false; } json.insert("cjson", doc.object()); return true; } QString InterfaceScript::generateCoordinateBlock( const QString& spec, const Core::Molecule& mol) const { Core::CoordinateBlockGenerator gen; gen.setMolecule(&mol); gen.setSpecification(spec.toStdString()); std::string tmp(gen.generateCoordinateBlock()); if (!tmp.empty()) tmp.resize(tmp.size() - 1); // Pop off the trailing newline return QString::fromStdString(tmp); } void InterfaceScript::replaceKeywords(QString& str, const Core::Molecule& mol) const { // Simple keywords: str.replace(QLatin1String("$$atomCount$$"), QString::number(mol.atomCount())); str.replace(QLatin1String("$$bondCount$$"), QString::number(mol.bondCount())); // Find each coordinate block keyword in the file, then generate and replace // it with the appropriate values. QRegularExpression coordParser(R"(\$\$coords:([^\$]*)\$\$)"); QRegularExpressionMatch match; int ind = 0; // Not sure while this needs to be a while statement since we replace all in // one go? We never iterate ind... while ((match = coordParser.match(str, ind)).hasMatch()) { // Extract spec and prepare the replacement const QString keyword = match.captured(0); const QString spec = match.captured(1); // Replace all blocks with this signature str.replace(keyword, generateCoordinateBlock(spec, mol)); } // end for coordinate block } bool InterfaceScript::parseHighlightStyles(const QJsonArray& json) const { bool result(true); foreach (QJsonValue styleVal, json) { if (!styleVal.isObject()) { qDebug() << "Non-object in highlightStyles array."; result = false; continue; } QJsonObject styleObj(styleVal.toObject()); if (!styleObj.contains(QStringLiteral("style"))) { qDebug() << "Style object missing 'style' member."; result = false; continue; } if (!styleObj.value(QStringLiteral("style")).isString()) { qDebug() << "Style object contains non-string 'style' member."; result = false; continue; } QString styleName(styleObj.value(QStringLiteral("style")).toString()); if (m_highlightStyles.contains(styleName)) { qDebug() << "Duplicate highlight style: " << styleName; result = false; continue; } if (!styleObj.contains(QStringLiteral("rules"))) { qDebug() << "Style object" << styleName << "missing 'rules' member."; result = false; continue; } if (!styleObj.value(QStringLiteral("rules")).isArray()) { qDebug() << "Style object" << styleName << "contains non-array 'rules' member."; result = false; continue; } QJsonArray rulesArray(styleObj.value(QStringLiteral("rules")).toArray()); auto* highlighter( new GenericHighlighter(const_cast(this))); if (!parseRules(rulesArray, *highlighter)) { qDebug() << "Error parsing style" << styleName << '\n' << QString(QJsonDocument(styleObj).toJson()); highlighter->deleteLater(); result = false; continue; } m_highlightStyles.insert(styleName, highlighter); } return result; } bool InterfaceScript::parseRules(const QJsonArray& json, GenericHighlighter& highlighter) const { bool result(true); foreach (QJsonValue ruleVal, json) { if (!ruleVal.isObject()) { qDebug() << "Rule is not an object."; result = false; continue; } QJsonObject ruleObj(ruleVal.toObject()); if (!ruleObj.contains(QStringLiteral("patterns"))) { qDebug() << "Rule missing 'patterns' array:" << '\n' << QString(QJsonDocument(ruleObj).toJson()); result = false; continue; } if (!ruleObj.value(QStringLiteral("patterns")).isArray()) { qDebug() << "Rule 'patterns' member is not an array:" << '\n' << QString(QJsonDocument(ruleObj).toJson()); result = false; continue; } QJsonArray patternsArray( ruleObj.value(QStringLiteral("patterns")).toArray()); if (!ruleObj.contains(QStringLiteral("format"))) { qDebug() << "Rule missing 'format' object:" << '\n' << QString(QJsonDocument(ruleObj).toJson()); result = false; continue; } if (!ruleObj.value(QStringLiteral("format")).isObject()) { qDebug() << "Rule 'format' member is not an object:" << '\n' << QString(QJsonDocument(ruleObj).toJson()); result = false; continue; } QJsonObject formatObj(ruleObj.value(QStringLiteral("format")).toObject()); GenericHighlighter::Rule& rule = highlighter.addRule(); foreach (QJsonValue patternVal, patternsArray) { QRegularExpression pattern; if (!parsePattern(patternVal, pattern)) { qDebug() << "Error while parsing pattern:" << '\n' << QString(QJsonDocument(patternVal.toObject()).toJson()); result = false; continue; } rule.addPattern(pattern); } QTextCharFormat format; if (!parseFormat(formatObj, format)) { qDebug() << "Error while parsing format:" << '\n' << QString(QJsonDocument(formatObj).toJson()); result = false; } rule.setFormat(format); } return result; } bool InterfaceScript::parseFormat(const QJsonObject& json, QTextCharFormat& format) const { // Check for presets first: if (json.contains(QStringLiteral("preset"))) { if (!json[QStringLiteral("preset")].isString()) { qDebug() << "Preset is not a string."; return false; } QString preset(json[QStringLiteral("preset")].toString()); /// @todo Store presets in a singleton that can be configured in the GUI, /// rather than hardcoding them. if (preset == QLatin1String("title")) { format.setFontFamily(QStringLiteral("serif")); format.setForeground(Qt::darkGreen); format.setFontWeight(QFont::Bold); } else if (preset == QLatin1String("keyword")) { format.setFontFamily(QStringLiteral("mono")); format.setForeground(Qt::darkBlue); } else if (preset == QLatin1String("property")) { format.setFontFamily(QStringLiteral("mono")); format.setForeground(Qt::darkRed); } else if (preset == QLatin1String("literal")) { format.setFontFamily(QStringLiteral("mono")); format.setForeground(Qt::darkMagenta); } else if (preset == QLatin1String("comment")) { format.setFontFamily(QStringLiteral("serif")); format.setForeground(Qt::darkGreen); format.setFontItalic(true); } else { qDebug() << "Invalid style preset: " << preset; return false; } return true; } // Extract an RGB tuple from 'array' as a QBrush: struct { QBrush operator()(const QJsonArray& array, bool* ok) { *ok = false; QBrush result; if (array.size() != 3) return result; int rgb[3]; for (int i = 0; i < 3; ++i) { if (!array.at(i).isDouble()) return result; rgb[i] = static_cast(array.at(i).toDouble()); if (rgb[i] < 0 || rgb[i] > 255) { qDebug() << "Warning: Color component value invalid: " << rgb[i] << " (Valid range is 0-255)."; } } result.setColor(QColor(rgb[0], rgb[1], rgb[2])); result.setStyle(Qt::SolidPattern); *ok = true; return result; } } colorParser; if (json.contains(QStringLiteral("foreground")) && json.value(QStringLiteral("foreground")).isArray()) { QJsonArray foregroundArray( json.value(QStringLiteral("foreground")).toArray()); bool ok; format.setForeground(colorParser(foregroundArray, &ok)); if (!ok) return false; } if (json.contains(QStringLiteral("background")) && json.value(QStringLiteral("background")).isArray()) { QJsonArray backgroundArray( json.value(QStringLiteral("background")).toArray()); bool ok; format.setBackground(colorParser(backgroundArray, &ok)); if (!ok) return false; } if (json.contains(QStringLiteral("attributes")) && json.value(QStringLiteral("attributes")).isArray()) { QJsonArray attributesArray( json.value(QStringLiteral("attributes")).toArray()); format.setFontWeight(attributesArray.contains(QLatin1String("bold")) ? QFont::Bold : QFont::Normal); format.setFontItalic(attributesArray.contains(QLatin1String("italic"))); format.setFontUnderline( attributesArray.contains(QLatin1String("underline"))); } if (json.contains(QStringLiteral("family")) && json.value(QStringLiteral("family")).isString()) { format.setFontFamily(json.value(QStringLiteral("family")).toString()); } return true; } bool InterfaceScript::parsePattern(const QJsonValue& json, QRegularExpression& pattern) const { if (!json.isObject()) return false; QJsonObject patternObj(json.toObject()); QString regexPattern; QRegularExpression::PatternOptions patternOptions = QRegularExpression::NoPatternOption; if (patternObj.contains(QStringLiteral("regexp")) && patternObj.value(QStringLiteral("regexp")).isString()) { // Use the provided regular expression as-is regexPattern = patternObj.value(QStringLiteral("regexp")).toString(); } else if (patternObj.contains(QStringLiteral("wildcard")) && patternObj.value(QStringLiteral("wildcard")).isString()) { // Convert wildcard pattern (* -> .* and ? -> .) QString wildcard = patternObj.value(QStringLiteral("wildcard")).toString(); regexPattern = QRegularExpression::escape(wildcard) .replace("\\*", ".*") .replace("\\?", "."); } else if (patternObj.contains(QStringLiteral("string")) && patternObj.value(QStringLiteral("string")).isString()) { // Escape the string so it is treated literally in the regex regexPattern = QRegularExpression::escape( patternObj.value(QStringLiteral("string")).toString()); } else { return false; } // Set case sensitivity if specified if (patternObj.contains(QStringLiteral("caseSensitive"))) { bool caseSensitive = patternObj.value(QStringLiteral("caseSensitive")).toBool(true); if (!caseSensitive) { patternOptions |= QRegularExpression::CaseInsensitiveOption; } } // Set the final pattern with options pattern = QRegularExpression(regexPattern, patternOptions); return pattern.isValid(); } } // namespace Avogadro::QtGui avogadrolibs-1.100.0/avogadro/qtgui/interfacescript.h000066400000000000000000000543171474375334400226460ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_INTERFACESCRIPT_H #define AVOGADRO_QTGUI_INTERFACESCRIPT_H #include #include "avogadroqtguiexport.h" #include #include #include #include #include class QJsonDocument; class QProcess; class QTextCharFormat; namespace Avogadro { namespace Core { class Molecule; } namespace QtGui { class GenericHighlighter; class PythonScript; /** * @class InterfaceScript interfacescript.h * @brief The Interface class provides an interface to external scripts * @sa InterfaceWidget * * The QuantumInput extension provides a scriptable method for users to add * custom input generators to Avogadro. By writing an executable that implements * the interface defined below, new input generators can be created faster and * easier than writing full Avogadro extensions. * * Script Entry Points * =================== * * The script must handle the following command-line arguments: * - `--debug` Enable extra debugging output. Used with other commands. * It is not required that the script support extra debugging, but it should * not crash when this option is passed. * - `--print-options` Print the available options supported by the * script, e.g. simulation parameters, etc. See below for more details. * - `--generate-input` Read an option block from stdin and print * input files to stdout. See below for more details. * - `--display-name` Print a user-friendly name for the input generator. * This is used in the GUI for menu entries, window titles, etc. * * Specifying parameters with `--print-options` * ============================================ * * The format of the `--print-options` output must be a JSON object of * the following form: ~~~{.js} { "userOptions": { ... }, "highlightStyles": [ { "style": "Descriptive name", "rules": [ { "patterns": [ ... ], "format": { ... } }, ... ], }, ... ], "inputMoleculeFormat": "cjson" } ~~~ * The `userOptions` block contains a JSON object keyed with option names * (e.g. "First option name"), which are used in the GUI to label simulation * parameter settings. Various parameter types are supported: * * Fixed Mutually-Exclusive Parameter Lists * ---------------------------------------- * * Parameters that have a fixed number of mutually-exclusive string values will * be presented using a QComboBox. Such a parameter can be specified in the * `userOptions` block as: ~~~{.js} { "userOptions": { "Parameter Name": { "type": "stringList", "values": ["Option 1", "Option 2", "Option 3"], "default": 0 } } } ~~~ * Here, `Parameter Name` is the label that will be displayed in the GUI as a * label next to the combo box. * The array of strings in `values` will be used as the available entries in * the combo box in the order they are written. * `default` is a zero-based index into the `values` array and indicates * which value should be initially selected by default. * * Short Free-Form Text Parameters * ------------------------------- * * A short text string can be requested (e.g. for the "title" of an * optimization) via: ~~~{.js} { "userOptions": { "Parameter Name": { "type": "string", "default": "blah blah blah" } } } ~~~ * This will add a QLineEdit to the GUI, initialized with the text specified by * `default`. * * Existing files * -------------- * * An input generator can ask for the absolute path to an existing file using * the following option block: ~~~{.js} { "userOptions": { "Parameter Name": { "type": "filePath", "default": "/path/to/some/file" } } } ~~~ * This will add an Avogadro::QtGui::FileBrowseWidget to the GUI, initialized to * the file pointed to by default. * * Clamped Integer Values * ---------------------- * * Scripts may request integer values from a specified range by adding a * user-option of the following form: ~~~{.js} { "userOptions": { "Parameter Name": { "type": "integer", "minimum": -5, "maximum": 5, "default": 0, "prefix": "some text ", "suffix": " units" } } } ~~~ * This block will result in a QSpinBox, configured as follows: * - `minimum` and `maximum` indicate the valid range of integers for the * parameter. * - `default` is the integer value that will be shown initially. * - (optional) `prefix` and `suffix` are used to insert text before or * after the integer value in the spin box. * This is handy for specifying units. * Note that any prefix or suffix will be stripped out of the corresponding * entry in the call to `--generate-input`, and just the raw integer value * will be sent. * * Boolean Parameters * ------------------ * * If a simple on/off value is needed, a boolean type option can be requested: ~~~{.js} { "userOptions": { "Parameter Name": { "type": "boolean", "default": true, } } } ~~~ * This will result in a QCheckBox in the dynamically generated GUI, with * the initial check state shown in `default`. * * Special Parameters * ------------------ * * Some parameters are common to most calculation codes. * If the following parameter names are found, they will be handled specially * while creating the GUI. * It is recommended to use the names below for these options to provide a * consistent interface and ensure that MoleQueue job staging uses correct * values where appropriate. * * | Option name | type | description | * | :----------------: | :--------: | :------------------------------------------------------------------ | * | "Title" | string | Input file title comment, MoleQueue job description. | * | "Filename Base" | string | Input file base name, e.g. "job" in "job.inp". | * | "Processor Cores" | integer | Number of cores to use. Will be passed to MoleQueue. | * | "Calculation Type" | stringList | Type of calculation, e.g. "Single Point" or "Equilibrium Geometry". | * | "Theory" | stringList | Levels of QM theory, e.g. "RHF", "B3LYP", "MP2", "CCSD", etc. | * | "Basis" | stringList | Available basis sets, e.g. "STO-3G", "6-31G**", etc. | * | "Charge" | integer | Charge on the system. | * | "Multiplicity" | integer | Spin multiplicity of the system. | * * Syntax Highlighting * ------------------- * * Rules for syntax highlighting can be specified as a collection of regular * expressions or wildcard patterns and text format specifications in the * "highlightRules" array. The `highlightRules` format is: ~~~{.js} "highlightStyles": [ { "style": "Style 1", "rules": [ (list of highlight rules, see below) ], }, { "style": "Style 2", "rules": [ (list of highlight rules, see below) ], }, ... ], ~~~ * The `style` name is unique to the style object, and used to associate a * set of highlighting rules with particular output files. See the * `--generate-input` documentation for more details. * * The general form of a highlight rule is: ~~~{.js} { "patterns": [ { "regexp": "^Some regexp?$" }, { "wildcard": "A * wildcard expression" }, { "string": "An exact string to match.", "caseSensitive": false }, ... ], "format": { "preset": "" } } ~~~ * * or, * ~~~{.js} { "patterns": [ ... ], "format": { "foreground": [ 255, 128, 64 ], "background": [ 0, 128, 128 ], "attributes": ["bold", "italic", "underline"], "family": "serif" } } ~~~ * * The `patterns` array contains a collection of fixed strings, wildcard * expressions, and regular expressions (using the QRegularExpression syntax * flavor, see the QRegularExpression documentation) that are used to identify * strings that should be formatted. * There must be one of the following members present in each pattern object: * - `regexp` A QRegularExpression-style regular expression. If no capture * groups ("(...)") are defined, the entire match is formatted. If one or more * capture groups, only the captured texts will be marked. * - `wildcard` A wildcard expression * - `string` An exact string to match. * * Any pattern object may also set a boolean `caseSensitive` member to indicate * whether the match should consider character case. If omitted, a * case-sensitive match is assumed. * * The preferred form of the `format` member is simply a specification of a * preset format. * This allows for consistent color schemes across input generators. * The recognized presets are: * - `"title"`: A human readable title string. * - `"keyword"`: directives defined by the target input format specification * to have special meaning, such as tags indicating where coordinates are * to be found. * - `"property"`: A property of the simulation, such as level of theory, basis * set, minimization method, etc. * - `"literal"`: A numeric literal (i.e. a raw number, such as a coordinate). * - `"comment"`: Sections of the input that are ignored by the simulation code. * * If advanced formatting is desired, the second form of the `format` member * allows fine-tuning of the font properties: * - `foreground` color as an RGB tuple, ranged 0-255 * - `background` color as an RGB tuple, ranged 0-255 * - `attributes` array of font attributes, valid strings are `"bold"`, * `"italic"`, or `"underline"` * - `family` of font. Valid values are `"serif"`, `"sans"`, or `"mono"` * * Any of the font property members may be omitted and default QTextCharFormat * settings will be substituted. * * The input generator extension will apply the entries in the `highlightRules` * object to the text in the order they appear. Thus, later rules will * override the formatting of earlier rules should a conflict arise. * * Requesting Full Structure of Current Molecule * --------------------------------------------- * * The `inputMoleculeFormat` is optional, and can be used to request a * representation of the current molecule's geometry when * `--generate-input` is called. The corresponding value * indicates the format of the molecule that the script expects. If this value * is omitted, no representation of the structure will be provided. * * @note Currently valid options for inputMoleculeFormat are "cjson" for * Chemical JSON or "cml" for Chemical Markup Language. * * Handling User Selections: `--generate-input` * ============================================ * * When `--generate-input` is passed, the information needed to generate * the input file will be written to the script's standard input * channel as JSON string of the following form: ~~~{.js} { "cjson": {...}, "options": { "First option name": "Value 2", "Second option name": "Value 1", ... } } ~~~ * The `cjson` entry will contain a Chemical JSON representation * of the molecule if `inputMoleculeFormat` is set to "cjson" in the * `--print-options` output. * Similarly, a `cml` entry and CML string will exist if a Chemical Markup * Language representation was requested. * It will be omitted entirely if `inputMoleculeFormat` is not set. * The `options` block contains key/value * pairs for each of the options specified in the `userOptions` block of the * `--print-options` output. * * If the script is called with `--generate-input`, it must write a JSON * string to standard output with the following format: ~~~{.js} { "files": [ { "filename": "file1.ext", "contents": "...", "highlightStyles": [ ... ] }, { "filename": "file2.ext", "filePath": "/path/to/file/on/local/filesystem" }, ... ], "warnings": ["First warning.", "Second warning.", ... ], "mainFile": "file2.ext" } ~~~ * The `files` block is an array of objects, which define the actual input * files. The `filename` member provides the name of the file, and * either `contents` or `filePath` provide the text that goes into the file. * The `contents` string will be used as the file contents, and `filePath` * should contain an absolute path to a file on the filesystem to read and use * as the input file contents. * The optional `highlightStyles` member is an array of strings describing any * highlight styles to apply to the file (see `--print-options` documentation). * Each string in this array must match a `style` description in a highlighting * rule in the `--print-options` output. * Zero or more highlighting styles may be applied to any file. * The order of the files in the * GUI will match the order of the files in the array, and the first file will * be displayed first. * * The `warnings` member provides an array of strings that describe non-fatal * warnings to be shown to the users. This is useful for describing * the resolution of conflicting options, e.g. "Ignoring basis set for * semi-empirical calculation.". This member is optional and should be omitted * if no warnings are present. * * The `mainFile` member points to the primary input file for a calculation. * This is the file that will be used as a command line argument when executing * the simulation code (if applicable), and used by MoleQueue to set the * `$$inputFileName$$` and `$$inputFileBaseName$$` input template keywords. * This is optional; if present, the filename must exist in the `files` array. * If absent and only one file is specified in `files`, the single input file * will be used. Otherwise, the main file will be left unspecified. * * Automatic Generation of Geometry * ================================ * * The generation of molecular geometry descriptions may be skipped in the * script and deferred to the InterfaceScript class by use of a special keyword. * The "contents" string may contain a keyword of the form ~~~ $$coords:[coordSpec]$$ ~~~ * where `[coordSpec]` is a sequence of characters. * The characters in `[coordSpec]` indicate the information needed about each * atom in the coordinate block. * See the CoordinateBlockGenerator documentation for a list of recognized * characters. * * Other keywords that can be used in the input files are: * - `$$atomCount$$`: Number of atoms in the molecule. * - `$$bondCount$$`: Number of bonds in the molecule. * * Error Handling * ============== * * In general, these scripts should be written robustly so that they will not * fail under normal circumstances. However, if for some reason an error * occurs that must be reported to the user, simply write the error message to * standard output as plain text (i.e. not JSON), and it will be shown to the * user. * * Debugging * ========= * * Debugging may be enabled by defining AVO_QM_INPUT_DEBUG in the process's * environment. This will cause the --debug option to be passed in * all calls to generator scripts, and will print extra information to the * qDebug() stream from within avogadro. The script is free to handle the * debug flag as the author wishes. */ class AVOGADROQTGUI_EXPORT InterfaceScript : public QObject { Q_OBJECT public: /** * Constructor * @param scriptFilePath_ Absolute path to generator script. */ explicit InterfaceScript(const QString& scriptFilePath_, QObject* parent_ = nullptr); explicit InterfaceScript(QObject* parent_ = nullptr); ~InterfaceScript() override; /** * @return True if debugging is enabled. */ bool debug() const; /** * @return True if the generator is configured with a valid script. */ bool isValid() const; /** * Query the script for the available options (--generate-options) * and return the output as a JSON object. * @note The results will be cached the first time this function is called * and reused in subsequent calls. * @note If an error occurs, the error string will be set. Call hasErrors() * to check for success, and errorString() or errorList() to get a * user-friendly description of the error. */ QJsonObject options() const; /** * Query the script for a user-friendly name (--display-name). * @note The results will be cached the first time this function is called * and reused in subsequent calls. * @note If an error occurs, the error string will be set. Call hasErrors() * to check for success, and errorString() or errorList() to get a * user-friendly description of the error. */ QString displayName() const; /** * Query the script for the menu path (--menu-path). * @note The results will be cached the first time this function is called * and reused in subsequent calls. * @note If an error occurs, the error string will be set. Call hasErrors() * to check for success, and errorString() or errorList() to get a * user-friendly description of the error. */ QString menuPath() const; /** * @return The path to the generator file. */ QString scriptFilePath() const; /** * Set the path to the input generator script file. This will reset any * cached data held by this class. */ void setScriptFilePath(const QString& scriptFile); /** * Clear any cached data and return to an uninitialized state. */ void reset(); /** * Asynchronously run a command script using the supplied options object and * molecule. See the class documentation for details on the @p options_ * object format. * * @return true on success and false on failure. * @note If an error occurs, the error string will be set. Call hasErrors() * to check for success, and errorString() or errorList() to get a * user-friendly description of the error. */ bool runCommand(const QJsonObject& options_, Core::Molecule* mol); /** * Finish processing an aynchronous command script */ bool processCommand(Core::Molecule* mol); /** * Request input files from the script using the supplied options object and * molecule. See the class documentation for details on the @p options_ * object format. * * If the files are generated successfully, use the functions * numberOfInputFiles(), fileNames(), and fileContents() to retrieve them. * * @return true on success and false on failure. * @note If an error occurs, the error string will be set. Call hasErrors() * to check for success, and errorString() or errorList() to get a * user-friendly description of the error. */ bool generateInput(const QJsonObject& options_, const Core::Molecule& mol); /** * @return The number of input files stored by generateInput(). * @note This function is only valid after a successful call to * generateInput(). */ int numberOfInputFiles() const; /** * @return A list of filenames created by generateInput(). * @note This function is only valid after a successful call to * generateInput(). */ QStringList fileNames() const; /** * @return The "main" input file of the collection. This is the input file * used by MoleQueue to determine the $$inputFileName$$ and * $$inputFileBaseName$$ keywords. * @note This function is only valid after a successful call to * generateInput(). */ QString mainFileName() const; /** * @return A file contents corresponding to @p fileName. Must call * generateInput() first. * @sa fileNames */ QString fileContents(const QString& fileName) const; /** * @return A syntax highlighter for the file @a fileName. Must call * generateInput() first. The caller takes ownership of the returned object. * If no syntax highlighter is defined, this function returns nullptr. * @sa fileNames */ QtGui::GenericHighlighter* createFileHighlighter( const QString& fileName) const; /** * @return True if an error is set. */ bool hasErrors() const { return !m_errors.isEmpty(); } /** * Reset the error counter. */ void clearErrors() { m_errors.clear(); } /** * @return A QStringList containing all errors that occurred in the last call * to the input generator script. */ QStringList errorList() const { return m_errors; } /** * @return A QStringList containing all warnings returned by the input * generator script in the last call to generateInput. These are * script-specific warnings. */ QStringList warningList() const { return m_warnings; } signals: void finished(); public slots: /** * Enable/disable debugging. */ void setDebug(bool d); /** * Receives a signal when asynchronous command scripts are finished */ void commandFinished(); private: QtGui::PythonScript* m_interpreter; void setDefaultPythonInterpreter(); QByteArray execute(const QStringList& args, const QByteArray& scriptStdin = QByteArray()) const; bool parseJson(const QByteArray& json, QJsonDocument& doc) const; QString processErrorString(const QProcess& proc) const; bool insertMolecule(QJsonObject& json, const Core::Molecule& mol) const; QString generateCoordinateBlock(const QString& spec, const Core::Molecule& mol) const; void replaceKeywords(QString& str, const Core::Molecule& mol) const; bool parseHighlightStyles(const QJsonArray& json) const; bool parseRules(const QJsonArray& json, QtGui::GenericHighlighter& highligher) const; bool parseFormat(const QJsonObject& json, QTextCharFormat& format) const; bool parsePattern(const QJsonValue& json, QRegularExpression& pattern) const; // File extension of requested molecule format mutable QString m_moleculeExtension; mutable QString m_displayName; mutable QString m_menuPath; mutable QJsonObject m_options; mutable QStringList m_warnings; mutable QStringList m_errors; QStringList m_filenames; QString m_mainFileName; QMap m_files; QMap m_fileHighlighters; mutable QMap m_highlightStyles; }; inline bool InterfaceScript::isValid() const { displayName(); return !hasErrors(); } } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_MOLEQUEUE_INTERFACESCRIPT_H avogadrolibs-1.100.0/avogadro/qtgui/interfacewidget.cpp000066400000000000000000000052331474375334400231510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "interfacewidget.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtGui { InterfaceWidget::InterfaceWidget(const QString& scriptFilePath, QWidget* parent_) : JsonWidget(parent_), m_interfaceScript(QString()) { this->setInterfaceScript(scriptFilePath); } InterfaceWidget::~InterfaceWidget() {} void InterfaceWidget::setInterfaceScript(const QString& scriptFile) { m_interfaceScript.setScriptFilePath(scriptFile); m_options = m_interfaceScript.options(); updateOptions(); } void InterfaceWidget::defaultsClicked() { setOptionDefaults(); } void InterfaceWidget::setWarningText(const QString& warn) { qWarning() << tr("Script returns warnings:\n") << warn; } QString InterfaceWidget::warningText() const { return QString(); } void InterfaceWidget::showError(const QString& err) { qWarning() << err; QWidget* theParent = this->isVisible() ? this : qobject_cast(parent()); QDialog dlg(theParent); auto* vbox = new QVBoxLayout(); auto* label = new QLabel(tr("An error has occurred:")); vbox->addWidget(label); auto* textBrowser = new QTextBrowser(); // adjust the size of the text browser to ~80 char wide, ~20 lines high QSize theSize = textBrowser->sizeHint(); QFontMetrics metrics(textBrowser->currentFont()); int charWidth = metrics.horizontalAdvance(QStringLiteral("i7OPlmWn9/")) / 10; int charHeight = metrics.lineSpacing(); theSize.setWidth(80 * charWidth); theSize.setHeight(20 * charHeight); textBrowser->setMinimumSize(theSize); textBrowser->setText(err); vbox->addWidget(textBrowser); dlg.setLayout(vbox); dlg.exec(); } QString InterfaceWidget::settingsKey(const QString& identifier) const { return QStringLiteral("scriptPlugin/%1/%2") .arg(m_interfaceScript.displayName(), identifier); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtgui/interfacewidget.h000066400000000000000000000055151474375334400226210ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_INTERFACEWIDGET_H #define AVOGADRO_QTGUI_INTERFACEWIDGET_H #include "avogadroqtguiexport.h" #include #include #include #include "interfacescript.h" #include "jsonwidget.h" class QJsonValue; class QTextEdit; class QWidget; namespace Avogadro { namespace QtGui { class Molecule; /** * @class InterfaceWidget interfacewidget.h * * @brief The InterfaceWidget class provides a user interface for * running external scripts * @sa InterfaceScript * * The InterfaceWidget creates a GUI to represent the options given by an * script, turning JSON from the script into a form and passing the results * back to the script via command-line */ class AVOGADROQTGUI_EXPORT InterfaceWidget : public JsonWidget { Q_OBJECT public: /** * Construct a widget that dynamically generates a GUI to configure the * script specified by scriptFilePath. */ explicit InterfaceWidget(const QString& scriptFilePath, QWidget* parent_ = nullptr); ~InterfaceWidget() override; /** * Use the script pointed to by scriptFilePath. * @param scriptFilePath Absolute path to script. */ void setInterfaceScript(const QString& scriptFilePath); /** * Access to the underlying input script object. */ const QtGui::InterfaceScript& interfaceScript() const { return m_interfaceScript; } private slots: /** * Triggered when the user resets the default values. */ void defaultsClicked(); /** * Show the user an warning. These are messages returned by the input * script. */ void setWarningText(const QString& warn); /** * Show the warning text. */ QString warningText() const; /** * Show the user an error message. These are errors that have occurred * in this extension, not necessarily in the input generator script. */ void showError(const QString& err); private: /** * Generate a QSettings key with the given identifier that is unique to this * input generator's display name. * @param identifier Setting key, e.g. "outputPath" * @return Script-specific key, e.g. "quantumInput/GAMESS/outputPath" * @todo Display names are not necessarily unique, but paths are too long. * Maybe add a namespace qualifier to the script display names? */ QString settingsKey(const QString& identifier) const; QtGui::Molecule* m_molecule; QtGui::InterfaceScript m_interfaceScript; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_INTERFACEWIDGET_H avogadrolibs-1.100.0/avogadro/qtgui/jsonwidget.cpp000066400000000000000000000657111474375334400221710ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "jsonwidget.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtGui { JsonWidget::JsonWidget(QWidget* parent_) : QWidget(parent_), m_molecule(nullptr), m_currentLayout(nullptr), m_centralWidget(nullptr), m_empty(true), m_batchMode(false) { } JsonWidget::~JsonWidget() {} void JsonWidget::setMolecule(QtGui::Molecule* mol) { if (m_molecule != nullptr) { // update charge and multiplicity if needed int charge = static_cast(m_molecule->totalCharge()); int multiplicity = static_cast(m_molecule->totalSpinMultiplicity()); setOption("Charge", charge); setOption("Multiplicity", multiplicity); // check the molecule for "inputParameters" from CJSON // e.g. // https://github.com/OpenChemistry/chemicaljson/blob/main/chemicaljson.py#L130 if (m_molecule->hasData("inputParameters")) { QByteArray data(m_molecule->data("inputParameters").toString().c_str()); QJsonDocument doc = QJsonDocument::fromJson(data); if (!doc.isNull() && doc.isObject()) { QJsonObject inputParameters = doc.object(); // check for a few known keys if (inputParameters.contains("processors")) setOption("Processor Cores", inputParameters["processors"].toInt()); else if (inputParameters.contains("memory")) setOption("Memory", inputParameters["memory"].toInt()); else if (inputParameters.contains("basis")) setOption("Basis", inputParameters["basis"].toString()); else if (inputParameters.contains("functional")) setOption("Theory", inputParameters["functional"].toString()); else if (inputParameters.contains("task")) setOption("Calculation Type", inputParameters["task"].toString()); } } } if (mol == m_molecule) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; } QString JsonWidget::lookupOptionType(const QString& name) const { if (!m_options.contains("userOptions")) { qWarning() << tr("'userOptions' missing."); return QString(); } QJsonObject userOptions; // if we have tabs, then userOptions is an array of objects // need to loop through to find the right one unsigned int size; bool isArray = m_options["userOptions"].isArray(); QJsonArray options; if (isArray) { size = m_options["userOptions"].toArray().size(); options = m_options["userOptions"].toArray(); } else size = 1; for (unsigned int i = 0; i < size; ++i) { if (isArray) { userOptions = options.at(i).toObject(); } else if (m_options["userOptions"].isObject()) { userOptions = m_options["userOptions"].toObject(); } else { break; } if (!userOptions.contains(name)) { continue; // look in next tab } if (!userOptions.value(name).isObject()) { qWarning() << tr("Option '%1' does not refer to an object.").arg(name); return QString(); } QJsonObject obj = userOptions[name].toObject(); if (!obj.contains("type") || !obj.value("type").isString()) { qWarning() << tr("'type' is not a string for option '%1'.").arg(name); return QString(); } return obj["type"].toString(); } qWarning() << tr("Could not find option '%1'.").arg(name); return QString(); } void JsonWidget::updateOptions() { // Create the widgets, etc for the gui if (!m_centralWidget) { m_centralWidget = this; } buildOptionGui(); setOptionDefaults(); } void JsonWidget::buildOptionGui() { if (m_centralWidget == nullptr) return; m_widgets.clear(); delete m_centralWidget->layout(); if (!m_options.contains("userOptions")) { return; } // if we have an array, we'll create tabs for each QTabWidget* tabs = nullptr; QWidget* currentPage = nullptr; // Create new widgets QJsonObject userOptions; unsigned int size; bool isArray = m_options["userOptions"].isArray(); QJsonArray options; if (isArray) { size = m_options["userOptions"].toArray().size(); options = m_options["userOptions"].toArray(); // create a layout for inserting the tabs tabs = new QTabWidget(this); auto* layout = new QVBoxLayout(this); layout->addWidget(tabs); m_centralWidget->setLayout(layout); } else { size = 1; // create the form layout for the widget auto* layout = new QFormLayout(); m_currentLayout = layout; m_centralWidget->setLayout(layout); } for (unsigned int i = 0; i < size; ++i) { QString tabName = tr("Tab %1").arg(i + 1); // default if (isArray) { userOptions = options.at(i).toObject(); // add a new tab if (userOptions.contains("tabName") && userOptions.value("tabName").isString()) { tabName = userOptions.value("tabName").toString(); userOptions.take("tabName"); } currentPage = new QWidget(this); auto* layout = new QFormLayout(currentPage); currentPage->setLayout(layout); m_currentLayout = layout; } else if (m_options["userOptions"].isObject()) { userOptions = m_options["userOptions"].toObject(); // don't need to set layout, we already did that } else { break; } // Title first if (userOptions.contains("Title")) addOptionRow("Title", tr("Title"), userOptions.take("Title")); // File basename next: if (userOptions.contains("Filename Base")) addOptionRow("Filename Base", tr("Filename Base"), userOptions.take("Filename Base")); // Number of cores next: if (userOptions.contains("Processor Cores")) addOptionRow("Processor Cores", tr("Processor Cores"), userOptions.take("Processor Cores")); // Calculation Type next: if (userOptions.contains("Calculation Type")) addOptionRow("Calculation Type", tr("Calculation Type"), userOptions.take("Calculation Type")); // Theory/basis next. Combine into one row if both present. combinedOptionRow("Theory", "Basis", tr("Theory"), tr("Basis"), userOptions); // Other special cases: Charge / Multiplicity if (userOptions.contains("Charge") && userOptions.contains("Multiplicity")) combinedOptionRow("Charge", "Multiplicity", tr("Charge"), tr("Multiplicity"), userOptions, true); // both labels else { if (userOptions.contains("Charge")) addOptionRow("Charge", tr("Charge"), userOptions.take("Charge")); if (userOptions.contains("Multiplicity")) addOptionRow("Multiplicity", tr("Multiplicity"), userOptions.take("Multiplicity")); } // Add remaining keys at bottom. // look for "order" key to determine order QMap keys; int order = 0; for (QJsonObject::const_iterator it = userOptions.constBegin(), itEnd = userOptions.constEnd(); it != itEnd; ++it) { if (it.value().isObject()) { QJsonObject obj = it.value().toObject(); if (obj.contains("order") && obj.value("order").isDouble()) { order = obj.value("order").toInt(); keys.insert(order, it.key()); } else { // object doesn't contain "order" keys.insert(order, it.key()); order++; } } else { keys.insert(order++, it.key()); } } // now loop over keys and add them for (QString key : std::as_const(keys)) addOptionRow(key, key, userOptions.take(key)); // Make connections for standard options: if (auto* combo = qobject_cast( m_widgets.value("Calculation Type", nullptr))) { connect(combo, SIGNAL(currentIndexChanged(int)), SLOT(updateTitlePlaceholder())); } if (auto* combo = qobject_cast(m_widgets.value("Theory", nullptr))) { connect(combo, SIGNAL(currentIndexChanged(int)), SLOT(updateTitlePlaceholder())); } if (auto* combo = qobject_cast(m_widgets.value("Basis", nullptr))) { connect(combo, SIGNAL(currentIndexChanged(int)), SLOT(updateTitlePlaceholder())); } // if we're adding tabs, add it now if (isArray) { tabs->addTab(currentPage, tabName); } } // end loop over tabs m_empty = m_widgets.isEmpty(); } void JsonWidget::combinedOptionRow(const QString& label1, const QString& label2, const QString& tr1, const QString& tr2, QJsonObject& options, bool bothLabels) { if (m_currentLayout == nullptr) return; bool option1 = options.contains(label1); bool option2 = options.contains(label2); if (option1 && option2) { QWidget* widget1 = createOptionWidget(options.take(label1)); QWidget* widget2 = createOptionWidget(options.take(label2)); auto* hbox = new QHBoxLayout; if (option1) { widget1->setObjectName(label1); hbox->addWidget(widget1); m_widgets.insert(label1, widget1); } if (bothLabels) { QLabel* label = new QLabel(tr2 + ":"); hbox->addWidget(label); } if (option2) { widget2->setObjectName(label2); hbox->addWidget(widget2); m_widgets.insert(label2, widget2); } hbox->addStretch(); m_currentLayout->addRow(tr1, hbox); } else { if (option1) addOptionRow(label1, tr1, options.take(label1)); if (option2) addOptionRow(label2, tr2, options.take(label2)); } } void JsonWidget::addOptionRow(const QString& key, const QString& name, const QJsonValue& option) { QWidget* widget = createOptionWidget(option); if (!widget) return; QFormLayout* form = m_currentLayout; if (!form) { qWarning() << "Cannot add option" << name << "to GUI -- layout is not a form."; widget->deleteLater(); return; } // For lookups during unit testing: widget->setObjectName(key); QString label(name); QJsonObject obj = option.toObject(); if (obj.contains(QStringLiteral("label")) && obj.value(QStringLiteral("label")).isString()) { label = obj[QStringLiteral("label")].toString(); } form->addRow(label + ":", widget); m_widgets.insert(key, widget); // optionally hide rows .. can be shown by the script later bool hide = false; if (obj.contains(QStringLiteral("hide")) && obj.value(QStringLiteral("hide")).isBool()) { hide = obj[QStringLiteral("hide")].toBool(); } if (hide) { widget->hide(); // find the label and hide that too auto fLabel = form->labelForField(widget); if (fLabel) fLabel->hide(); } } QWidget* JsonWidget::createOptionWidget(const QJsonValue& option) { if (!option.isObject()) return nullptr; QJsonObject obj = option.toObject(); if (!obj.contains(QStringLiteral("type")) || !obj.value(QStringLiteral("type")).isString()) return nullptr; QString type = obj[QStringLiteral("type")].toString(); if (type == QLatin1String("stringList")) return createStringListWidget(obj); else if (type == QLatin1String("string")) return createStringWidget(obj); else if (type == QLatin1String("filePath")) return createFilePathWidget(obj); else if (type == QLatin1String("integer")) return createIntegerWidget(obj); else if (type == QLatin1String("float")) return createFloatWidget(obj); else if (type == QLatin1String("boolean")) return createBooleanWidget(obj); else if (type == QLatin1String("text")) return createTextWidget(obj); qDebug() << "Unrecognized option type:" << type; return nullptr; } QWidget* JsonWidget::createStringListWidget(const QJsonObject& obj) { if (!obj.contains(QStringLiteral("values")) || !obj[QStringLiteral("values")].isArray()) { qDebug() << "JsonWidget::createStringListWidget()" "values missing, or not array!"; return nullptr; } QJsonArray valueArray = obj[QStringLiteral("values")].toArray(); auto* combo = new QComboBox(this); for (QJsonArray::const_iterator vit = valueArray.constBegin(), vitEnd = valueArray.constEnd(); vit != vitEnd; ++vit) { if ((*vit).isString()) { QString value = (*vit).toString(); if (value == '-') combo->insertSeparator(combo->count()); else combo->addItem((*vit).toString()); } else qDebug() << "Cannot convert value to string for stringList:" << *vit; } connect(combo, SIGNAL(currentIndexChanged(int)), SLOT(updatePreviewText())); if (obj.contains(QStringLiteral("toolTip")) && obj.value(QStringLiteral("toolTip")).isString()) { combo->setToolTip(obj[QStringLiteral("toolTip")].toString()); } return combo; } QWidget* JsonWidget::createStringWidget(const QJsonObject& obj) { auto* edit = new QLineEdit(this); connect(edit, SIGNAL(textChanged(QString)), SLOT(updatePreviewText())); if (obj.contains(QStringLiteral("toolTip")) && obj.value(QStringLiteral("toolTip")).isString()) { edit->setToolTip(obj[QStringLiteral("toolTip")].toString()); } return edit; } QWidget* JsonWidget::createTextWidget(const QJsonObject& obj) { auto* text = new QLabel(this); text->setWordWrap(true); if (obj.contains(QStringLiteral("toolTip")) && obj.value(QStringLiteral("toolTip")).isString()) { text->setToolTip(obj[QStringLiteral("toolTip")].toString()); } return text; } QWidget* JsonWidget::createFilePathWidget(const QJsonObject& obj) { auto* fileBrowse = new QtGui::FileBrowseWidget(this); connect(fileBrowse, SIGNAL(fileNameChanged(QString)), SLOT(updatePreviewText())); if (obj.contains(QStringLiteral("toolTip")) && obj.value(QStringLiteral("toolTip")).isString()) { fileBrowse->setToolTip(obj[QStringLiteral("toolTip")].toString()); } return fileBrowse; } QWidget* JsonWidget::createIntegerWidget(const QJsonObject& obj) { auto* spin = new QSpinBox(this); if (obj.contains(QStringLiteral("minimum")) && obj.value(QStringLiteral("minimum")).isDouble()) { spin->setMinimum( static_cast(obj[QStringLiteral("minimum")].toDouble() + 0.5)); } if (obj.contains(QStringLiteral("maximum")) && obj.value(QStringLiteral("maximum")).isDouble()) { spin->setMaximum( static_cast(obj[QStringLiteral("maximum")].toDouble() + 0.5)); } if (obj.contains(QStringLiteral("prefix")) && obj.value(QStringLiteral("prefix")).isString()) { spin->setPrefix(obj[QStringLiteral("prefix")].toString()); } if (obj.contains(QStringLiteral("suffix")) && obj.value(QStringLiteral("suffix")).isString()) { spin->setSuffix(obj[QStringLiteral("suffix")].toString()); } if (obj.contains(QStringLiteral("toolTip")) && obj.value(QStringLiteral("toolTip")).isString()) { spin->setToolTip(obj[QStringLiteral("toolTip")].toString()); } connect(spin, SIGNAL(valueChanged(int)), SLOT(updatePreviewText())); return spin; } QWidget* JsonWidget::createFloatWidget(const QJsonObject& obj) { auto* spin = new QDoubleSpinBox(this); if (obj.contains(QStringLiteral("minimum")) && obj.value(QStringLiteral("minimum")).isDouble()) { spin->setMinimum(obj[QStringLiteral("minimum")].toDouble()); } if (obj.contains(QStringLiteral("maximum")) && obj.value(QStringLiteral("maximum")).isDouble()) { spin->setMaximum(obj[QStringLiteral("maximum")].toDouble()); } if (obj.contains(QStringLiteral("precision")) && obj.value(QStringLiteral("precision")).isDouble()) { spin->setDecimals( static_cast(obj[QStringLiteral("precision")].toDouble())); } if (obj.contains(QStringLiteral("prefix")) && obj.value(QStringLiteral("prefix")).isString()) { spin->setPrefix(obj[QStringLiteral("prefix")].toString()); } if (obj.contains(QStringLiteral("suffix")) && obj.value(QStringLiteral("suffix")).isString()) { spin->setSuffix(obj[QStringLiteral("suffix")].toString()); } if (obj.contains(QStringLiteral("toolTip")) && obj.value(QStringLiteral("toolTip")).isString()) { spin->setToolTip(obj[QStringLiteral("toolTip")].toString()); } connect(spin, SIGNAL(valueChanged(double)), SLOT(updatePreviewText())); return spin; } QWidget* JsonWidget::createBooleanWidget(const QJsonObject& obj) { auto* checkBox = new QCheckBox(this); connect(checkBox, SIGNAL(toggled(bool)), SLOT(updatePreviewText())); if (obj.contains(QStringLiteral("toolTip")) && obj.value(QStringLiteral("toolTip")).isString()) { checkBox->setToolTip(obj[QStringLiteral("toolTip")].toString()); } return checkBox; } void JsonWidget::setOptionDefaults() { if (!m_options.contains(QStringLiteral("userOptions"))) { return; } // if we have tabs, then userOptions is an array of objects // need to loop through to find the right one unsigned int size; bool isArray = m_options["userOptions"].isArray(); QJsonArray options; QJsonObject userOptions; if (isArray) { size = m_options["userOptions"].toArray().size(); options = m_options["userOptions"].toArray(); } else size = 1; for (unsigned int i = 0; i < size; ++i) { // loop over tabs if (isArray) { userOptions = options.at(i).toObject(); } else if (m_options["userOptions"].isObject()) { userOptions = m_options["userOptions"].toObject(); } else { break; } // loop over widgets in the tab for (QJsonObject::ConstIterator it = userOptions.constBegin(), itEnd = userOptions.constEnd(); it != itEnd; ++it) { QString label = it.key(); QJsonValue val = it.value(); if (!val.isObject()) { qWarning() << tr("Error: value must be object for key '%1'.").arg(label); continue; } QJsonObject obj = val.toObject(); if (obj.contains("default")) { // TODO - check QSettings for a value too setOption(label, obj[QStringLiteral("default")]); } } } } void JsonWidget::setOption(const QString& name, const QJsonValue& defaultValue) { QString type = lookupOptionType(name); if (type == QLatin1String("stringList")) return setStringListOption(name, defaultValue); else if (type == QLatin1String("string")) return setStringOption(name, defaultValue); else if (type == QLatin1String("filePath")) return setFilePathOption(name, defaultValue); else if (type == QLatin1String("integer")) return setIntegerOption(name, defaultValue); else if (type == QLatin1String("float")) return setFloatOption(name, defaultValue); else if (type == QLatin1String("boolean")) return setBooleanOption(name, defaultValue); else if (type == QLatin1String("text")) return setTextOption(name, defaultValue); qWarning() << tr("Unrecognized option type '%1' for option '%2'.").arg(type).arg(name); return; } void JsonWidget::setStringListOption(const QString& name, const QJsonValue& value) { auto* combo = qobject_cast(m_widgets.value(name, nullptr)); if (!combo) { qWarning() << tr("Error setting default for option '%1'. " "Bad widget type.") .arg(name); return; } if (!value.isDouble() && !value.isString()) { qWarning() << tr("Error setting default for option '%1'. " "Bad default value:") .arg(name) << value; return; } int index = -1; if (value.isDouble()) index = static_cast(value.toDouble() + 0.5); else if (value.isString()) index = combo->findText(value.toString()); if (index < 0 || index > combo->count()) { qWarning() << tr("Error setting default for option '%1'. " "Could not find valid combo entry index from value:") .arg(name) << value; return; } combo->setCurrentIndex(index); } void JsonWidget::setStringOption(const QString& name, const QJsonValue& value) { auto* lineEdit = qobject_cast(m_widgets.value(name, nullptr)); if (!lineEdit) { qWarning() << tr("Error setting default for option '%1'. " "Bad widget type.") .arg(name); return; } if (!value.isString()) { qWarning() << tr("Error setting default for option '%1'. " "Bad default value:") .arg(name) << value; return; } lineEdit->setText(value.toString()); } void JsonWidget::setTextOption(const QString& name, const QJsonValue& value) { auto* text = qobject_cast(m_widgets.value(name, nullptr)); if (text == nullptr) { qWarning() << tr("Error setting default for option '%1'. " "Bad widget type.") .arg(name); return; } if (!value.isString()) { qWarning() << tr("Error setting default for option '%1'. " "Bad default value:") .arg(name) << value; return; } text->setText(value.toString()); } void JsonWidget::setFilePathOption(const QString& name, const QJsonValue& value) { auto* fileBrowse = qobject_cast(m_widgets.value(name, nullptr)); if (!fileBrowse) { qWarning() << tr("Error setting default for option '%1'. " "Bad widget type.") .arg(name); return; } if (!value.isString()) { qWarning() << tr("Error setting default for option '%1'. " "Bad default value:") .arg(name) << value; return; } fileBrowse->setFileName(value.toString()); } void JsonWidget::setIntegerOption(const QString& name, const QJsonValue& value) { auto* spin = qobject_cast(m_widgets.value(name, nullptr)); if (!spin) { qWarning() << tr("Error setting default for option '%1'. " "Bad widget type.") .arg(name); return; } if (!value.isDouble()) { qWarning() << tr("Error setting default for option '%1'. " "Bad default value:") .arg(name) << value; return; } int intVal = static_cast(value.toDouble() + 0.5); spin->setValue(intVal); } void JsonWidget::setFloatOption(const QString& name, const QJsonValue& value) { auto* spin = qobject_cast(m_widgets.value(name, nullptr)); if (!spin) { qWarning() << tr("Error setting default for option '%1'. " "Bad widget type.") .arg(name); return; } if (!value.isDouble()) { qWarning() << tr("Error setting default for option '%1'. " "Bad default value:") .arg(name) << value; return; } spin->setValue(value.toDouble()); } void JsonWidget::setBooleanOption(const QString& name, const QJsonValue& value) { auto* checkBox = qobject_cast(m_widgets.value(name, nullptr)); if (!checkBox) { qWarning() << tr("Error setting default for option '%1'. " "Bad widget type.") .arg(name); return; } if (!value.isBool()) { qWarning() << tr("Error setting default for option '%1'. " "Bad default value:") .arg(name) << value; return; } checkBox->setChecked(value.toBool()); } bool JsonWidget::optionString(const QString& option, QString& value) const { QWidget* widget = m_widgets.value(option, nullptr); bool retval = false; value.clear(); if (auto* edit = qobject_cast(widget)) { retval = true; value = edit->text(); } else if (auto* combo = qobject_cast(widget)) { retval = true; value = combo->currentText(); } else if (auto* spinbox = qobject_cast(widget)) { retval = true; value = QString::number(spinbox->value()); } else if (auto* dspinbox = qobject_cast(widget)) { retval = true; value = QString::number(dspinbox->value()); } else if (auto* fileBrowse = qobject_cast(widget)) { retval = true; value = fileBrowse->fileName(); } return retval; } QJsonObject JsonWidget::collectOptions() const { QJsonObject ret; foreach (QString label, m_widgets.keys()) { QWidget* widget = m_widgets.value(label, nullptr); if (auto* combo = qobject_cast(widget)) { ret.insert(label, combo->currentText()); } else if (auto* lineEdit = qobject_cast(widget)) { QString value(lineEdit->text()); if (value.isEmpty() && label == QLatin1String("Title")) value = generateJobTitle(); ret.insert(label, value); } else if (auto* spinBox = qobject_cast(widget)) { ret.insert(label, spinBox->value()); } else if (auto* doubleSpinBox = qobject_cast(widget)) { ret.insert(label, doubleSpinBox->value()); } else if (auto* checkBox = qobject_cast(widget)) { ret.insert(label, checkBox->isChecked()); } else if (auto* fileBrowse = qobject_cast(widget)) { ret.insert(label, fileBrowse->fileName()); } else { qWarning() << tr("Unhandled widget in collectOptions for option '%1'.").arg(label); } } return ret; } void JsonWidget::applyOptions(const QJsonObject& opts) { foreach (const QString& label, opts.keys()) { setOption(label, opts[label]); qDebug() << "Setting option" << label << "to" << opts[label]; } } QString JsonWidget::generateJobTitle() const { QString calculation; bool haveCalculation(optionString("Calculation Type", calculation)); QString theory; bool haveTheory(optionString("Theory", theory)); QString basis; bool haveBasis(optionString("Basis", basis)); // Merge theory/basis into theory if (haveBasis) { if (haveTheory) theory += "/"; theory += basis; theory.replace(QRegularExpression("\\s+"), ""); haveTheory = true; } if (m_batchMode) { QString result; result = haveCalculation ? calculation : QString(); result += haveTheory ? (result.size() != 0 ? " | " : QString()) + theory : QString(); return result; } QString formula(m_molecule ? QString::fromStdString(m_molecule->formula()) : tr("[no molecule]")); return QString("%1%2%3") .arg(formula) .arg(haveCalculation ? " | " + calculation : QString()) .arg(haveTheory ? " | " + theory : QString()); } } // namespace Avogadro::QtGui avogadrolibs-1.100.0/avogadro/qtgui/jsonwidget.h000066400000000000000000000106671474375334400216360ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_JSONWIDGET_H #define AVOGADRO_QTGUI_JSONWIDGET_H #include "avogadroqtguiexport.h" #include #include #include #include class QJsonValue; class QTextEdit; class QWidget; namespace Avogadro { namespace QtGui { class Molecule; /** * @class JsonWidget jsonwidget.h * * @brief The JsonWidget class provides a user interface for * running external scripts * @sa InterfaceWidget * * The JsonWidget creates a GUI to represent the options given by an * script, turning JSON from the script into a form and passing the results * back to the script via command-line. * * It's used by a range of different scripts, including: * - Commands * - InterfaceGenerators */ class AVOGADROQTGUI_EXPORT JsonWidget : public QWidget { Q_OBJECT public: /** * Construct a widget that dynamically generates a GUI */ explicit JsonWidget(QWidget* parent_ = nullptr); ~JsonWidget() override; /** * Set the molecule used in the simulation. */ virtual void setMolecule(QtGui::Molecule* mol); /** * Collect all of the user-specified options into a JSON object, to be sent * to the generator script. */ QJsonObject collectOptions() const; /** * Apply the options in the passed QJsonObject to the GUI. Any widgets changed * by this method will have their signals blocked while modifying their * values. */ void applyOptions(const QJsonObject& opts); bool isEmpty() const { return m_empty; } protected: /** * Given the name of a user-option in m_options, return the type string. * If an error occurs, an empty string will be returned. */ QString lookupOptionType(const QString& name) const; /** * Used to construct the script-specific GUI. * @{ */ virtual void updateOptions(); void buildOptionGui(); void combinedOptionRow(const QString& label1, const QString& label2, const QString& tr1, const QString& tr2, QJsonObject& options, bool bothLabels = false); void addOptionRow(const QString& key, const QString& label, const QJsonValue& option); QWidget* createOptionWidget(const QJsonValue& option); QWidget* createStringListWidget(const QJsonObject& obj); QWidget* createStringWidget(const QJsonObject& obj); QWidget* createFilePathWidget(const QJsonObject& obj); QWidget* createIntegerWidget(const QJsonObject& obj); QWidget* createFloatWidget(const QJsonObject& obj); QWidget* createBooleanWidget(const QJsonObject& obj); QWidget* createTextWidget(const QJsonObject& obj); /**@}*/ /** * Set the simulation settings to their default values. * @{ */ void setOptionDefaults(); void setOption(const QString& name, const QJsonValue& defaultValue); void setStringListOption(const QString& name, const QJsonValue& value); void setStringOption(const QString& name, const QJsonValue& value); void setFilePathOption(const QString& name, const QJsonValue& value); void setIntegerOption(const QString& name, const QJsonValue& value); void setFloatOption(const QString& name, const QJsonValue& value); void setBooleanOption(const QString& name, const QJsonValue& value); void setTextOption(const QString& name, const QJsonValue& value); /**@}*/ /** * @brief Search for an option named @a option and convert its value to a * string. * @param option The name of the option. * @param value String to overwrite with option value. * @return True if value is overwritten, false if the option is not found or * cannot be converted to a string. */ bool optionString(const QString& option, QString& value) const; /** * Update the autogenerated job title in the GUI. */ QString generateJobTitle() const; QtGui::Molecule* m_molecule; QJsonObject m_options; QJsonObject m_optionCache; // For reverting changes QList m_dirtyTextEdits; bool m_empty; bool m_batchMode; QFormLayout* m_currentLayout; QWidget* m_centralWidget; QMap m_widgets; QMap m_textEdits; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_JSONWIDGET_H avogadrolibs-1.100.0/avogadro/qtgui/layermodel.cpp000066400000000000000000000147731474375334400221530ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "layermodel.h" #include "molecule.h" #include "rwmolecule.h" #include #include #include #include namespace Avogadro::QtGui { using Core::LayerManager; namespace { const int QTTY_COLUMNS = 6; } LayerModel::LayerModel(QObject* p) : QAbstractItemModel(p), m_item(0) { m_plusIcon = QIcon(":/icons/fallback/32x32/plus.png"); m_dotsIcon = QIcon(":/icons/fallback/32x32/dots.png"); m_previewIcon = QIcon(":/icons/fallback/32x32/preview.png"); m_previewDashedIcon = QIcon(":/icons/fallback/32x32/dashed-preview.png"); m_lockIcon = QIcon(":/icons/fallback/32x32/lock.png"); m_openLockIcon = QIcon(":/icons/fallback/32x32/lock-open.png"); m_removeIcon = QIcon(":/icons/fallback/32x32/cross.png"); } QModelIndex LayerModel::parent(const QModelIndex&) const { return QModelIndex(); } int LayerModel::rowCount(const QModelIndex& p) const { if (p.isValid()) return 0; else return m_item; } int LayerModel::columnCount(const QModelIndex&) const { return QTTY_COLUMNS; } Qt::ItemFlags LayerModel::flags(const QModelIndex&) const { return Qt::ItemIsEnabled; } bool LayerModel::setData(const QModelIndex&, const QVariant&, int) { return false; } QVariant LayerModel::data(const QModelIndex& idx, int role) const { if (!idx.isValid() || idx.column() > QTTY_COLUMNS) return QVariant(); auto names = activeMoleculeNames(); if (idx.row() == static_cast(names.size())) { if (idx.column() == 0) { switch (role) { case Qt::DecorationRole: return m_plusIcon; default: return QVariant(); } } return QVariant(); } auto name = names[idx.row()].second; auto layer = names[idx.row()].first; bool isLayer = (name == "Layer"); if (isLayer) { if (idx.column() == ColumnType::Name) { switch (role) { case Qt::DisplayRole: { return QString(tr("Layer %1")) .arg(layer + 1); // count starts at 0 internally } case Qt::ForegroundRole: if (layer == getMoleculeLayer().activeLayer()) return QVariant(QColor(Qt::red)); else return QVariant(QColor(Qt::black)); default: return QVariant(); } } else if (idx.column() == ColumnType::Menu) { if (role == Qt::DecorationRole) return m_dotsIcon; } else if (idx.column() == ColumnType::Visible) { if (role == Qt::DecorationRole) { if (visible(layer)) return m_previewIcon; else return m_previewDashedIcon; } } else if (idx.column() == ColumnType::Lock) { if (role == Qt::DecorationRole) { if (locked(layer)) return m_lockIcon; else return m_openLockIcon; } } else if (idx.column() == ColumnType::Remove) { if (role == Qt::DecorationRole) return m_removeIcon; } } else { if (idx.column() == ColumnType::Name) { switch (role) { case Qt::DisplayRole: { return " " + getTranslatedName(name); // should already be translated } } } } return QVariant(); } QString LayerModel::getTranslatedName(const std::string& name) const { // This is a bad hack, but whatever.. // Put all the strings that show up as layer options if (name == "Ball and Stick") return tr("Ball and Stick"); else if (name == "Cartoons") return tr("Cartoons", "protein ribbon / cartoon rendering"); else if (name == "Close Contacts") return tr("Close Contacts", "rendering of non-covalent close contacts"); else if (name == "Crystal Lattice") return tr("Crystal Lattice"); else if (name == "Dipole Moment") return tr("Dipole Moment"); else if (name == "Force") return tr("Force"); else if (name == "Labels") return tr("Labels"); else if (name == "Licorice") return tr("Licorice", "stick / licorice rendering"); else if (name == "Meshes") return tr("Meshes"); else if (name == "Non-Covalent") return tr("Non-Covalent"); else if (name == "QTAIM") return tr("QTAIM", "quantum theory of atoms in molecules"); else if (name == "Symmetry Elements") return tr("Symmetry Elements"); else if (name == "Van der Waals") return tr("Van der Waals"); else if (name == "Wireframe") return tr("Wireframe"); qDebug() << "LayerModel: name didn't match: " << name.c_str(); return QString(name.c_str()); } QModelIndex LayerModel::index(int row, int column, const QModelIndex& p) const { if (!p.isValid()) if (row >= 0 && row <= static_cast(m_item)) return createIndex(row, column); return QModelIndex(); } void LayerModel::addLayer(RWMolecule* rwmolecule) { addItem(); RWLayerManager::addLayer(rwmolecule); } void LayerModel::addItem() { beginInsertRows(QModelIndex(), m_item, m_item); endInsertRows(); ++m_item; } void LayerModel::updateRows() { while (m_item > activeMoleculeNames().size()) { beginRemoveRows(QModelIndex(), m_item, m_item); endRemoveRows(); --m_item; } while (m_item <= activeMoleculeNames().size()) { addItem(); } emit dataChanged(createIndex(0, 0), createIndex(m_item, 0)); } void LayerModel::addMolecule(const Molecule* mol) { RWLayerManager::addMolecule(mol); m_item = 0; updateRows(); connect(mol, &Molecule::changed, this, &LayerModel::updateRows); } void LayerModel::setActiveLayer(int index, RWMolecule* rwmolecule) { auto names = activeMoleculeNames(); assert(index < static_cast(names.size())); RWLayerManager::setActiveLayer(names[index].first, rwmolecule); updateRows(); } void LayerModel::removeItem(int row, RWMolecule* rwmolecule) { if (row <= static_cast(m_item)) { auto names = activeMoleculeNames(); removeLayer(static_cast(names[row].first), rwmolecule); updateRows(); } } size_t LayerModel::items() const { return m_item; } void LayerModel::flipVisible(size_t row) { auto names = activeMoleculeNames(); auto layer = names[row].first; RWLayerManager::flipVisible(layer); } void LayerModel::flipLocked(size_t row) { auto names = activeMoleculeNames(); auto layer = names[row].first; RWLayerManager::flipLocked(layer); } size_t LayerModel::layerCount() const { return LayerManager::layerCount(); } } // namespace Avogadro::QtGui avogadrolibs-1.100.0/avogadro/qtgui/layermodel.h000066400000000000000000000042651474375334400216130ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_LAYERMODEL_H #define AVOGADRO_QTGUI_LAYERMODEL_H #include "avogadroqtguiexport.h" #include "rwlayermanager.h" #include #include #include namespace Avogadro { namespace QtGui { class Molecule; class RWMolecule; /** * @class LayerModel layermodel.h * @brief UI for the layer dock. */ class AVOGADROQTGUI_EXPORT LayerModel : public QAbstractItemModel, public QtGui::RWLayerManager { Q_OBJECT public: enum ColumnType { Name = 0, Menu = 1, Visible = 2, Lock = 3, Remove = 5 }; explicit LayerModel(QObject* p = 0); QModelIndex parent(const QModelIndex& child) const override; int rowCount(const QModelIndex& parent) const override; int columnCount(const QModelIndex& parent) const override; Qt::ItemFlags flags(const QModelIndex& index) const override; bool setData(const QModelIndex& index, const QVariant& value, int role) override; QVariant data(const QModelIndex& index, int role) const override; QModelIndex index(int row, int column, const QModelIndex& parent = QModelIndex()) const override; void addItem(); void addLayer(RWMolecule* rwmolecule); void addMolecule(const Molecule* mol); void setActiveLayer(int index, RWMolecule* rwmolecule); void removeItem(int row, RWMolecule* rwmolecule); size_t items() const; void flipVisible(size_t row); void flipLocked(size_t row); size_t layerCount() const; public slots: void updateRows(); private: QString getTranslatedName(const std::string& name) const; size_t m_item; QIcon m_plusIcon; QIcon m_dotsIcon; QIcon m_previewIcon; QIcon m_previewDashedIcon; QIcon m_lockIcon; QIcon m_openLockIcon; QIcon m_removeIcon; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_LAYERMODEL_H avogadrolibs-1.100.0/avogadro/qtgui/meshgenerator.cpp000066400000000000000000001511341474375334400226520ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "meshgenerator.h" #include #include #include #include #include namespace Avogadro::QtGui { using Core::Cube; using Core::Mesh; MeshGenerator::MeshGenerator(QObject* p) : QThread(p), m_iso(0.0), m_passes(6), m_reverseWinding(false), m_cube(nullptr), m_mesh(nullptr), m_stepSize(0.0, 0.0, 0.0), m_min(0.0, 0.0, 0.0), m_dim(0, 0, 0), m_progmin(0), m_progmax(0) { } MeshGenerator::MeshGenerator(const Cube* cube_, Mesh* mesh_, float iso, int passes, bool reverse, QObject* p) : QThread(p), m_iso(0.0), m_passes(6), m_reverseWinding(reverse), m_cube(nullptr), m_mesh(nullptr), m_stepSize(0.0, 0.0, 0.0), m_min(0.0, 0.0, 0.0), m_dim(0, 0, 0), m_progmin(0), m_progmax(0) { initialize(cube_, mesh_, iso, passes); } MeshGenerator::~MeshGenerator() { } bool MeshGenerator::initialize(const Cube* cube_, Mesh* mesh_, float iso, int passes, bool reverse) { if (!cube_ || !mesh_) return false; m_cube = cube_; m_mesh = mesh_; m_iso = iso; m_passes = passes; m_reverseWinding = reverse; for (unsigned int i = 0; i < 3; ++i) m_stepSize[i] = static_cast(m_cube->spacing()[i]); m_min = m_cube->min().cast(); m_dim = m_cube->dimensions(); edgeCases.resize((m_dim.x() - 1) * (m_dim.y()) * (m_dim.z())); cubeCases.resize((m_dim.x() - 1) * (m_dim.y() - 1) * (m_dim.z() - 1)); gridEdges.resize(m_dim.y() * m_dim.z()); triCounter.resize((m_dim.y() - 1) * (m_dim.z() - 1)); m_progmax = m_dim.x(); return true; } void MeshGenerator::FlyingEdgesAlgorithmPass1() { for (int k = 0; k != m_dim.z(); ++k) { for (int j = 0; j != m_dim.y(); ++j) { auto curEdgeCases = edgeCases.begin() + (m_dim.x() - 1) * (k * m_dim.y() + j); std::array isGE; isGE[0] = (m_cube->getData(0, j, k) >= m_iso); for (int i = 1; i != m_dim.x(); ++i) { isGE[i % 2] = (m_cube->getData(i, j, k) >= m_iso); curEdgeCases[i - 1] = calcCaseEdge(isGE[(i + 1) % 2], isGE[i % 2]); } } } for(int k = 0; k != m_dim.z(); ++k){ for(int j = 0; j != m_dim.y(); ++j) { gridEdge& curGridEdge = gridEdges[k * m_dim.y() + j]; curGridEdge.xl = m_dim.x(); for(int i = 1; i != m_dim.x(); ++i) { // if the edge is cut if(isCutEdge(i-1, j, k)) { if(curGridEdge.xl == m_dim.x()) { curGridEdge.xl = i-1; } curGridEdge.xr = i; } } }} } void MeshGenerator::FlyingEdgesAlgorithmPass2() { for(int k = 0; k != m_dim.z() - 1; ++k){ for(int j = 0; j != m_dim.y() - 1; ++j) { int xl, xr; calcTrimValues(xl, xr, j, k); // xl, xr set in this function gridEdge& ge0 = gridEdges[k * m_dim.y() + j]; gridEdge& ge1 = gridEdges[k* m_dim.y() +j + 1]; gridEdge& ge2 = gridEdges[(k+1) * m_dim.y() + j]; gridEdge& ge3 = gridEdges[(k+1) * m_dim.y() + j + 1]; auto const& ec0 = edgeCases.begin() + (m_dim.x()-1) * (k * m_dim.y() + j); auto const& ec1 = edgeCases.begin() + (m_dim.x()-1) * (k * m_dim.y() + j + 1); auto const& ec2 = edgeCases.begin() + (m_dim.x()-1) * ((k+1) * m_dim.y() + j); auto const& ec3 = edgeCases.begin() + (m_dim.x()-1) * ((k+1) * m_dim.y() + j + 1); // Count the number of triangles along this row of cubes int& curTriCounter = *(triCounter.begin() + k * (m_dim.y() - 1) + j); auto curCubeCaseIds = cubeCases.begin() + (m_dim.x() - 1) * (k * (m_dim.y() - 1) + j); bool isYEnd = (j == m_dim.y() - 2); bool isZEnd = (k == m_dim.z() - 2); for(int i = xl; i != xr; ++i) { bool isXEnd = (i == m_dim.x() - 2); unsigned char caseId = calcCubeCase(ec0[i], ec1[i], ec2[i], ec3[i]); // todo cubeCase not decleared curCubeCaseIds[i] = caseId; if(caseId == 0 || caseId == 255) { continue; } curTriCounter += m_numTris[caseId]; // not declared const bool* isCutCase = m_isCut[caseId]; // size 12 ge0.xstart += isCutCase[0]; ge0.ystart += isCutCase[3]; ge0.zstart += isCutCase[8]; if(isXEnd) { ge0.ystart += isCutCase[1]; ge0.zstart += isCutCase[9]; } if(isYEnd) { ge1.xstart += isCutCase[2]; ge1.zstart += isCutCase[10]; } if(isZEnd) { ge2.xstart += isCutCase[4]; ge2.ystart += isCutCase[7]; } if(isXEnd && isYEnd) { ge1.zstart += isCutCase[11]; } if(isXEnd && isZEnd) { ge2.ystart += isCutCase[5]; } if(isYEnd && isZEnd) { ge3.xstart += isCutCase[6]; } } } } } void MeshGenerator::FlyingEdgesAlgorithmPass3() { int tmp; int triAccum = 0; for(int k = 0; k != m_dim.z() -1; ++k) { for(int j = 0; j != m_dim.y()-1; ++j) { int& curTriCounter = triCounter[k*(m_dim.y()-1)+j]; tmp = curTriCounter; curTriCounter = triAccum; triAccum += tmp; }} int pointAccum = 0; for(int k = 0; k != m_dim.z(); ++k) { for(int j = 0; j != m_dim.y(); ++j) { gridEdge& curGridEdge = gridEdges[(k * m_dim.y()) + j]; tmp = curGridEdge.xstart; curGridEdge.xstart = pointAccum; pointAccum += tmp; tmp = curGridEdge.ystart; curGridEdge.ystart = pointAccum; pointAccum += tmp; tmp = curGridEdge.zstart; curGridEdge.zstart = pointAccum; pointAccum += tmp; }} m_vertices.resize(pointAccum); m_normals.resize(pointAccum); m_triangles.resize(triAccum); } void MeshGenerator::FlyingEdgesAlgorithmPass4() { for(int k = 0; k != m_dim.z() -1; ++k) { for(int j = 0; j != m_dim.y()-1; ++j) { // find adjusted trim values int xl, xr; calcTrimValues(xl, xr, j, k); // xl, xr set in this function if(xl == xr) continue; int triIdx = triCounter[(k*(m_dim.y()-1)) + j]; auto curCubeCaseIds = cubeCases.begin() + (m_dim.x()-1)*(k*(m_dim.y()-1) + j); gridEdge const& ge0 = gridEdges[k* m_dim.y() + j]; gridEdge const& ge1 = gridEdges[k* m_dim.y() + j + 1]; gridEdge const& ge2 = gridEdges[(k+1)* m_dim.y() + j]; gridEdge const& ge3 = gridEdges[(k+1)* m_dim.y() + j + 1]; int x0counter = 0; int y0counter = 0; int z0counter = 0; int x1counter = 0; int z1counter = 0; int x2counter = 0; int y2counter = 0; int x3counter = 0; bool isYEnd = (j == m_dim.y()-2); bool isZEnd = (k == m_dim.z()-2); for(int i = xl; i != xr; ++i) { bool isXEnd = (i == m_dim.x()-2); unsigned char caseId = curCubeCaseIds[i]; if(caseId == 0 || caseId == 255) { continue; } const bool* isCutCase = m_isCut[caseId]; // size 12 std::array, 8> pointCube = m_cube->getPosCube(i, j, k); std::array isovalCube = m_cube->getValsCube(i, j, k); std::array, 8> gradCube = m_cube->getGradCube(i, j, k); // Add Points and normals. // Calculate global indices for triangles std::array globalIdxs; if(isCutCase[0]) { // points-> array int idx = ge0.xstart + x0counter; std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 0); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 0); m_vertices[idx] = Vector3f(interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); globalIdxs[0] = idx; ++x0counter; } if(isCutCase[3]) { int idx = ge0.ystart + y0counter; std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 3); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 3); m_vertices[idx] = Vector3f(interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); globalIdxs[3] = idx; ++y0counter; } if(isCutCase[8]) { int idx = ge0.zstart + z0counter; std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 8); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 8); m_vertices[idx] = Vector3f(interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); globalIdxs[8] = idx; ++z0counter; } if(isCutCase[1]) { int idx = ge0.ystart + y0counter; if(isXEnd) { std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 1); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 1); m_vertices[idx] = Vector3f(interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); // y0counter counter doesn't need to be incremented // because it won't be used again. } globalIdxs[1] = idx; } if(isCutCase[9]) { int idx = ge0.zstart + z0counter; if(isXEnd) { std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 9); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 9); m_vertices[idx] = Vector3f(interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); // z0counter doesn't need to in incremented. } globalIdxs[9] = idx; } if(isCutCase[2]) { int idx = ge1.xstart + x1counter; if(isYEnd) { std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 2); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 2); m_vertices[idx] = Vector3f(interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); } globalIdxs[2] = idx; ++x1counter; } if(isCutCase[10]) { int idx = ge1.zstart + z1counter; if(isYEnd) { std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 10); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 10); m_vertices[idx] = Vector3f(interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); } globalIdxs[10] = idx; ++z1counter; } if(isCutCase[4]) { int idx = ge2.xstart + x2counter; if(isZEnd) { std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 4); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 4); m_vertices[idx] = Vector3f(interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); } globalIdxs[4] = idx; ++x2counter; } if(isCutCase[7]) { int idx = ge2.ystart + y2counter; if(isZEnd) { std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 7); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 7); m_vertices[idx] = Vector3f(interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); } globalIdxs[7] = idx; ++y2counter; } if(isCutCase[11]) { int idx = ge1.zstart + z1counter; if(isXEnd && isYEnd) { std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 11); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 11); m_vertices[idx] = Vector3f(interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); } globalIdxs[11] = idx; } if(isCutCase[5]) { int idx = ge2.ystart + y2counter; if(isXEnd && isZEnd) { std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 5); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 5); m_vertices[idx] = Vector3f(interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); // y2 counter does not need to be incremented. } globalIdxs[5] = idx; } if(isCutCase[6]) { int idx = ge3.xstart + x3counter; if(isYEnd && isZEnd) { std::array interpolatedPoint = interpolateOnCube(pointCube, isovalCube, 6); std::array interpolatedNormal = interpolateOnCube(gradCube, isovalCube, 6); m_vertices[idx] = Vector3f(interpolatedPoint[0], interpolatedPoint[1], interpolatedPoint[2]); m_normals[idx] = Vector3f(interpolatedNormal[0], interpolatedNormal[1], interpolatedNormal[2]); } globalIdxs[6] = idx; ++x3counter; } // Add triangles const signed char* caseTri = m_caseTriangles[caseId]; // size 16 for(int idx = 0; caseTri[idx] != -1; idx += 3) { m_triangles[triIdx][0] = globalIdxs[caseTri[idx]]; m_triangles[triIdx][1] = globalIdxs[caseTri[idx+1]]; m_triangles[triIdx][2] = globalIdxs[caseTri[idx+2]]; ++triIdx; } } }} } void MeshGenerator::run() { if (!m_cube || !m_mesh) { qDebug() << "No mesh or cube set - nothing to find isosurface of…"; return; } m_mesh->setStable(false); m_mesh->clear(); // flying-edges passes for the creation of normal, vertices and triangles FlyingEdgesAlgorithmPass1(); FlyingEdgesAlgorithmPass2(); FlyingEdgesAlgorithmPass3(); FlyingEdgesAlgorithmPass4(); m_mesh->setVertices(m_vertices); m_mesh->setNormals(m_normals); m_mesh->setTriangles(m_triangles); m_mesh->smooth(m_passes); m_mesh->setStable(true); // clearing the memory m_vertices.resize(0); m_normals.resize(0); m_triangles.resize(0); edgeCases.resize(0); cubeCases.resize(0); gridEdges.resize(0); triCounter.resize(0); } void MeshGenerator::clear() { m_iso = 0.0; m_passes = 6; m_cube = nullptr; m_mesh = nullptr; m_stepSize.setZero(); m_min.setZero(); m_dim.setZero(); m_progmin = 0; m_progmax = 0; } unsigned char MeshGenerator::calcCubeCase( unsigned char const& ec0, unsigned char const& ec1, unsigned char const& ec2, unsigned char const& ec3) const { unsigned char caseId = 0; if ((ec0 == 0) || (ec0 == 2)) // Vertex 0 at (i, j, k) caseId |= 1; if ((ec0 == 0) || (ec0 == 1)) // Vertex 1 at (i+1, j, k) caseId |= 2; if ((ec1 == 0) || (ec1 == 1)) // Vertex 2 at (i+1, j+1, k) caseId |= 4; if ((ec1 == 0) || (ec1 == 2)) // Vertex 3 at (i, j+1, k) caseId |= 8; if ((ec2 == 0) || (ec2 == 2)) // Vertex 4 at (i, j, k+1) caseId |= 16; if ((ec2 == 0) || (ec2 == 1)) // Vertex 5 at (i+1, j, k+1) caseId |= 32; if ((ec3 == 0) || (ec3 == 1)) // Vertex 6 at (i+1, j+1, k+1) caseId |= 64; if ((ec3 == 0) || (ec3 == 2)) // Vertex 7 at (i, j+1, k+1) caseId |= 128; return caseId; } bool MeshGenerator::isCutEdge(int const& i, int const& j, int const& k) const { // Assuming edgeCases are all set int edgeCaseIdx = k * ((m_dim.x() - 1) * m_dim.y()) + (j * (m_dim.x() - 1)) + i; unsigned char edgeCase = edgeCases[edgeCaseIdx]; if (edgeCase == 1 || edgeCase == 2) { return true; } if (j != m_dim.y() - 1) { int edgeCaseIdxY = (k * (m_dim.x() - 1) * m_dim.y()) + ((j + 1) * (m_dim.x() - 1)) + i; unsigned char edgeCaseY = edgeCases[edgeCaseIdxY]; // If the sum is odd, the edge along the y-axis is cut if ((edgeCase + edgeCaseY) % 2 == 1) { return true; } } if (k != m_dim.z() - 1) { int edgeCaseIdxZ = ((k + 1) * (m_dim.x() - 1) * m_dim.y()) + (j * (m_dim.x() - 1)) + i; unsigned char edgeCaseZ = edgeCases[edgeCaseIdxZ]; // If the sum is odd, the edge along the z-axis is cut if ((edgeCase + edgeCaseZ) % 2 == 1) { return true; } } return false; } unsigned char MeshGenerator::calcCaseEdge(bool const& prevEdge, bool const& currEdge) const { // o -- is greater than or equal to // case 0: prevEdge = true, currEdge = true // case 1: prevEdge = false, currEdge = true // case 2: prevEdge = true, currEdge = false // case 3: prevEdge = false, currEdge = false if (prevEdge && currEdge) return 0; if (!prevEdge && currEdge) return 1; if (prevEdge && !currEdge) return 2; else // !prevEdge && !currEdge return 3; } unsigned long MeshGenerator::duplicate(const Vector3i&, const Vector3f&) { // FIXME Not implemented yet. return 0; } void MeshGenerator::calcTrimValues(int& xl, int& xr, int const& j, int const& k) const { const gridEdge& ge0 = gridEdges[k * m_dim.y() + j]; const gridEdge& ge1 = gridEdges[k * m_dim.y() + j + 1]; const gridEdge& ge2 = gridEdges[(k + 1) * m_dim.y() + j]; const gridEdge& ge3 = gridEdges[(k + 1) * m_dim.y() + j + 1]; xl = std::min({ge0.xl, ge1.xl, ge2.xl, ge3.xl}); xr = std::max({ge0.xr, ge1.xr, ge2.xr, ge3.xr}); if (xl > xr) xl = xr; } inline std::array MeshGenerator::interpolateOnCube( std::array, 8> const& pts, std::array const& isovals, unsigned char const& edge) const { unsigned char i0 = m_edgeVertices[edge][0]; unsigned char i1 = m_edgeVertices[edge][1]; float weight = (m_iso - isovals[i0]) / (isovals[i1] - isovals[i0]); return interpolate(pts[i0], pts[i1], weight); } inline std::array MeshGenerator::interpolate( std::array const& a, std::array const& b, float const& weight) const { std::array ret; ret[0] = a[0] + (weight * (b[0] - a[0])); ret[1] = a[1] + (weight * (b[1] - a[1])); ret[2] = a[2] + (weight * (b[2] - a[2])); return ret; } // flying edges tables using: const unsigned char MeshGenerator::m_numTris[256] = { 0, 1, 1, 2, 1, 2, 2, 3, 1, 2, 2, 3, 2, 3, 3, 2, 1, 2, 2, 3, 2, 3, 3, 4, 2, 3, 3, 4, 3, 4, 4, 3, 1, 2, 2, 3, 2, 3, 3, 4, 2, 3, 3, 4, 3, 4, 4, 3, 2, 3, 3, 2, 3, 4, 4, 3, 3, 4, 4, 3, 4, 5, 5, 2, 1, 2, 2, 3, 2, 3, 3, 4, 2, 3, 3, 4, 3, 4, 4, 3, 2, 3, 3, 4, 3, 4, 4, 5, 3, 4, 4, 5, 4, 5, 5, 4, 2, 3, 3, 4, 3, 4, 2, 3, 3, 4, 4, 5, 4, 5, 3, 2, 3, 4, 4, 3, 4, 5, 3, 2, 4, 5, 5, 4, 5, 2, 4, 1, 1, 2, 2, 3, 2, 3, 3, 4, 2, 3, 3, 4, 3, 4, 4, 3, 2, 3, 3, 4, 3, 4, 4, 5, 3, 2, 4, 3, 4, 3, 5, 2, 2, 3, 3, 4, 3, 4, 4, 5, 3, 4, 4, 5, 4, 5, 5, 4, 3, 4, 4, 3, 4, 5, 5, 4, 4, 3, 5, 2, 5, 4, 2, 1, 2, 3, 3, 4, 3, 4, 4, 5, 3, 4, 4, 5, 2, 3, 3, 2, 3, 4, 4, 5, 4, 5, 5, 2, 4, 3, 5, 4, 3, 2, 4, 1, 3, 4, 4, 5, 4, 5, 3, 4, 4, 5, 5, 2, 3, 4, 2, 1, 2, 3, 3, 2, 3, 4, 2, 1, 3, 2, 4, 1, 2, 1, 1, 0 }; const bool MeshGenerator::m_isCut[256][12] = { {0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0}, {1, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0}, {1, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0}, {0, 1, 0, 1, 0, 0, 0, 0, 1, 1, 0, 0}, {0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1}, {1, 1, 1, 1, 0, 0, 0, 0, 1, 0, 0, 1}, {1, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 1}, {0, 0, 1, 1, 0, 0, 0, 0, 1, 1, 0, 1}, {0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 1, 0}, {1, 0, 1, 0, 0, 0, 0, 0, 1, 0, 1, 0}, {1, 1, 1, 1, 0, 0, 0, 0, 0, 1, 1, 0}, {0, 1, 1, 0, 0, 0, 0, 0, 1, 1, 1, 0}, {0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 1, 1}, {1, 1, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1}, {1, 0, 0, 1, 0, 0, 0, 0, 0, 1, 1, 1}, {0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1}, {0, 0, 0, 0, 1, 0, 0, 1, 1, 0, 0, 0}, {1, 0, 0, 1, 1, 0, 0, 1, 0, 0, 0, 0}, {1, 1, 0, 0, 1, 0, 0, 1, 1, 1, 0, 0}, {0, 1, 0, 1, 1, 0, 0, 1, 0, 1, 0, 0}, {0, 1, 1, 0, 1, 0, 0, 1, 1, 0, 0, 1}, {1, 1, 1, 1, 1, 0, 0, 1, 0, 0, 0, 1}, {1, 0, 1, 0, 1, 0, 0, 1, 1, 1, 0, 1}, {0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 1}, {0, 0, 1, 1, 1, 0, 0, 1, 1, 0, 1, 0}, {1, 0, 1, 0, 1, 0, 0, 1, 0, 0, 1, 0}, {1, 1, 1, 1, 1, 0, 0, 1, 1, 1, 1, 0}, {0, 1, 1, 0, 1, 0, 0, 1, 0, 1, 1, 0}, {0, 1, 0, 1, 1, 0, 0, 1, 1, 0, 1, 1}, {1, 1, 0, 0, 1, 0, 0, 1, 0, 0, 1, 1}, {1, 0, 0, 1, 1, 0, 0, 1, 1, 1, 1, 1}, {0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 1, 1}, {0, 0, 0, 0, 1, 1, 0, 0, 0, 1, 0, 0}, {1, 0, 0, 1, 1, 1, 0, 0, 1, 1, 0, 0}, {1, 1, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0}, {0, 1, 0, 1, 1, 1, 0, 0, 1, 0, 0, 0}, {0, 1, 1, 0, 1, 1, 0, 0, 0, 1, 0, 1}, {1, 1, 1, 1, 1, 1, 0, 0, 1, 1, 0, 1}, {1, 0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 1}, {0, 0, 1, 1, 1, 1, 0, 0, 1, 0, 0, 1}, {0, 0, 1, 1, 1, 1, 0, 0, 0, 1, 1, 0}, {1, 0, 1, 0, 1, 1, 0, 0, 1, 1, 1, 0}, {1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 1, 0}, {0, 1, 1, 0, 1, 1, 0, 0, 1, 0, 1, 0}, {0, 1, 0, 1, 1, 1, 0, 0, 0, 1, 1, 1}, {1, 1, 0, 0, 1, 1, 0, 0, 1, 1, 1, 1}, {1, 0, 0, 1, 1, 1, 0, 0, 0, 0, 1, 1}, {0, 0, 0, 0, 1, 1, 0, 0, 1, 0, 1, 1}, {0, 0, 0, 0, 0, 1, 0, 1, 1, 1, 0, 0}, {1, 0, 0, 1, 0, 1, 0, 1, 0, 1, 0, 0}, {1, 1, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0}, {0, 1, 0, 1, 0, 1, 0, 1, 0, 0, 0, 0}, {0, 1, 1, 0, 0, 1, 0, 1, 1, 1, 0, 1}, {1, 1, 1, 1, 0, 1, 0, 1, 0, 1, 0, 1}, {1, 0, 1, 0, 0, 1, 0, 1, 1, 0, 0, 1}, {0, 0, 1, 1, 0, 1, 0, 1, 0, 0, 0, 1}, {0, 0, 1, 1, 0, 1, 0, 1, 1, 1, 1, 0}, {1, 0, 1, 0, 0, 1, 0, 1, 0, 1, 1, 0}, {1, 1, 1, 1, 0, 1, 0, 1, 1, 0, 1, 0}, {0, 1, 1, 0, 0, 1, 0, 1, 0, 0, 1, 0}, {0, 1, 0, 1, 0, 1, 0, 1, 1, 1, 1, 1}, {1, 1, 0, 0, 0, 1, 0, 1, 0, 1, 1, 1}, {1, 0, 0, 1, 0, 1, 0, 1, 1, 0, 1, 1}, {0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 1, 1}, {0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 1}, {1, 0, 0, 1, 0, 1, 1, 0, 1, 0, 0, 1}, {1, 1, 0, 0, 0, 1, 1, 0, 0, 1, 0, 1}, {0, 1, 0, 1, 0, 1, 1, 0, 1, 1, 0, 1}, {0, 1, 1, 0, 0, 1, 1, 0, 0, 0, 0, 0}, {1, 1, 1, 1, 0, 1, 1, 0, 1, 0, 0, 0}, {1, 0, 1, 0, 0, 1, 1, 0, 0, 1, 0, 0}, {0, 0, 1, 1, 0, 1, 1, 0, 1, 1, 0, 0}, {0, 0, 1, 1, 0, 1, 1, 0, 0, 0, 1, 1}, {1, 0, 1, 0, 0, 1, 1, 0, 1, 0, 1, 1}, {1, 1, 1, 1, 0, 1, 1, 0, 0, 1, 1, 1}, {0, 1, 1, 0, 0, 1, 1, 0, 1, 1, 1, 1}, {0, 1, 0, 1, 0, 1, 1, 0, 0, 0, 1, 0}, {1, 1, 0, 0, 0, 1, 1, 0, 1, 0, 1, 0}, {1, 0, 0, 1, 0, 1, 1, 0, 0, 1, 1, 0}, {0, 0, 0, 0, 0, 1, 1, 0, 1, 1, 1, 0}, {0, 0, 0, 0, 1, 1, 1, 1, 1, 0, 0, 1}, {1, 0, 0, 1, 1, 1, 1, 1, 0, 0, 0, 1}, {1, 1, 0, 0, 1, 1, 1, 1, 1, 1, 0, 1}, {0, 1, 0, 1, 1, 1, 1, 1, 0, 1, 0, 1}, {0, 1, 1, 0, 1, 1, 1, 1, 1, 0, 0, 0}, {1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0}, {1, 0, 1, 0, 1, 1, 1, 1, 1, 1, 0, 0}, {0, 0, 1, 1, 1, 1, 1, 1, 0, 1, 0, 0}, {0, 0, 1, 1, 1, 1, 1, 1, 1, 0, 1, 1}, {1, 0, 1, 0, 1, 1, 1, 1, 0, 0, 1, 1}, {1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1}, {0, 1, 1, 0, 1, 1, 1, 1, 0, 1, 1, 1}, {0, 1, 0, 1, 1, 1, 1, 1, 1, 0, 1, 0}, {1, 1, 0, 0, 1, 1, 1, 1, 0, 0, 1, 0}, {1, 0, 0, 1, 1, 1, 1, 1, 1, 1, 1, 0}, {0, 0, 0, 0, 1, 1, 1, 1, 0, 1, 1, 0}, {0, 0, 0, 0, 1, 0, 1, 0, 0, 1, 0, 1}, {1, 0, 0, 1, 1, 0, 1, 0, 1, 1, 0, 1}, {1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 1}, {0, 1, 0, 1, 1, 0, 1, 0, 1, 0, 0, 1}, {0, 1, 1, 0, 1, 0, 1, 0, 0, 1, 0, 0}, {1, 1, 1, 1, 1, 0, 1, 0, 1, 1, 0, 0}, {1, 0, 1, 0, 1, 0, 1, 0, 0, 0, 0, 0}, {0, 0, 1, 1, 1, 0, 1, 0, 1, 0, 0, 0}, {0, 0, 1, 1, 1, 0, 1, 0, 0, 1, 1, 1}, {1, 0, 1, 0, 1, 0, 1, 0, 1, 1, 1, 1}, {1, 1, 1, 1, 1, 0, 1, 0, 0, 0, 1, 1}, {0, 1, 1, 0, 1, 0, 1, 0, 1, 0, 1, 1}, {0, 1, 0, 1, 1, 0, 1, 0, 0, 1, 1, 0}, {1, 1, 0, 0, 1, 0, 1, 0, 1, 1, 1, 0}, {1, 0, 0, 1, 1, 0, 1, 0, 0, 0, 1, 0}, {0, 0, 0, 0, 1, 0, 1, 0, 1, 0, 1, 0}, {0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 1}, {1, 0, 0, 1, 0, 0, 1, 1, 0, 1, 0, 1}, {1, 1, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1}, {0, 1, 0, 1, 0, 0, 1, 1, 0, 0, 0, 1}, {0, 1, 1, 0, 0, 0, 1, 1, 1, 1, 0, 0}, {1, 1, 1, 1, 0, 0, 1, 1, 0, 1, 0, 0}, {1, 0, 1, 0, 0, 0, 1, 1, 1, 0, 0, 0}, {0, 0, 1, 1, 0, 0, 1, 1, 0, 0, 0, 0}, {0, 0, 1, 1, 0, 0, 1, 1, 1, 1, 1, 1}, {1, 0, 1, 0, 0, 0, 1, 1, 0, 1, 1, 1}, {1, 1, 1, 1, 0, 0, 1, 1, 1, 0, 1, 1}, {0, 1, 1, 0, 0, 0, 1, 1, 0, 0, 1, 1}, {0, 1, 0, 1, 0, 0, 1, 1, 1, 1, 1, 0}, {1, 1, 0, 0, 0, 0, 1, 1, 0, 1, 1, 0}, {1, 0, 0, 1, 0, 0, 1, 1, 1, 0, 1, 0}, {0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 1, 0}, {0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 1, 0}, {1, 0, 0, 1, 0, 0, 1, 1, 1, 0, 1, 0}, {1, 1, 0, 0, 0, 0, 1, 1, 0, 1, 1, 0}, {0, 1, 0, 1, 0, 0, 1, 1, 1, 1, 1, 0}, {0, 1, 1, 0, 0, 0, 1, 1, 0, 0, 1, 1}, {1, 1, 1, 1, 0, 0, 1, 1, 1, 0, 1, 1}, {1, 0, 1, 0, 0, 0, 1, 1, 0, 1, 1, 1}, {0, 0, 1, 1, 0, 0, 1, 1, 1, 1, 1, 1}, {0, 0, 1, 1, 0, 0, 1, 1, 0, 0, 0, 0}, {1, 0, 1, 0, 0, 0, 1, 1, 1, 0, 0, 0}, {1, 1, 1, 1, 0, 0, 1, 1, 0, 1, 0, 0}, {0, 1, 1, 0, 0, 0, 1, 1, 1, 1, 0, 0}, {0, 1, 0, 1, 0, 0, 1, 1, 0, 0, 0, 1}, {1, 1, 0, 0, 0, 0, 1, 1, 1, 0, 0, 1}, {1, 0, 0, 1, 0, 0, 1, 1, 0, 1, 0, 1}, {0, 0, 0, 0, 0, 0, 1, 1, 1, 1, 0, 1}, {0, 0, 0, 0, 1, 0, 1, 0, 1, 0, 1, 0}, {1, 0, 0, 1, 1, 0, 1, 0, 0, 0, 1, 0}, {1, 1, 0, 0, 1, 0, 1, 0, 1, 1, 1, 0}, {0, 1, 0, 1, 1, 0, 1, 0, 0, 1, 1, 0}, {0, 1, 1, 0, 1, 0, 1, 0, 1, 0, 1, 1}, {1, 1, 1, 1, 1, 0, 1, 0, 0, 0, 1, 1}, {1, 0, 1, 0, 1, 0, 1, 0, 1, 1, 1, 1}, {0, 0, 1, 1, 1, 0, 1, 0, 0, 1, 1, 1}, {0, 0, 1, 1, 1, 0, 1, 0, 1, 0, 0, 0}, {1, 0, 1, 0, 1, 0, 1, 0, 0, 0, 0, 0}, {1, 1, 1, 1, 1, 0, 1, 0, 1, 1, 0, 0}, {0, 1, 1, 0, 1, 0, 1, 0, 0, 1, 0, 0}, {0, 1, 0, 1, 1, 0, 1, 0, 1, 0, 0, 1}, {1, 1, 0, 0, 1, 0, 1, 0, 0, 0, 0, 1}, {1, 0, 0, 1, 1, 0, 1, 0, 1, 1, 0, 1}, {0, 0, 0, 0, 1, 0, 1, 0, 0, 1, 0, 1}, {0, 0, 0, 0, 1, 1, 1, 1, 0, 1, 1, 0}, {1, 0, 0, 1, 1, 1, 1, 1, 1, 1, 1, 0}, {1, 1, 0, 0, 1, 1, 1, 1, 0, 0, 1, 0}, {0, 1, 0, 1, 1, 1, 1, 1, 1, 0, 1, 0}, {0, 1, 1, 0, 1, 1, 1, 1, 0, 1, 1, 1}, {1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1}, {1, 0, 1, 0, 1, 1, 1, 1, 0, 0, 1, 1}, {0, 0, 1, 1, 1, 1, 1, 1, 1, 0, 1, 1}, {0, 0, 1, 1, 1, 1, 1, 1, 0, 1, 0, 0}, {1, 0, 1, 0, 1, 1, 1, 1, 1, 1, 0, 0}, {1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0}, {0, 1, 1, 0, 1, 1, 1, 1, 1, 0, 0, 0}, {0, 1, 0, 1, 1, 1, 1, 1, 0, 1, 0, 1}, {1, 1, 0, 0, 1, 1, 1, 1, 1, 1, 0, 1}, {1, 0, 0, 1, 1, 1, 1, 1, 0, 0, 0, 1}, {0, 0, 0, 0, 1, 1, 1, 1, 1, 0, 0, 1}, {0, 0, 0, 0, 0, 1, 1, 0, 1, 1, 1, 0}, {1, 0, 0, 1, 0, 1, 1, 0, 0, 1, 1, 0}, {1, 1, 0, 0, 0, 1, 1, 0, 1, 0, 1, 0}, {0, 1, 0, 1, 0, 1, 1, 0, 0, 0, 1, 0}, {0, 1, 1, 0, 0, 1, 1, 0, 1, 1, 1, 1}, {1, 1, 1, 1, 0, 1, 1, 0, 0, 1, 1, 1}, {1, 0, 1, 0, 0, 1, 1, 0, 1, 0, 1, 1}, {0, 0, 1, 1, 0, 1, 1, 0, 0, 0, 1, 1}, {0, 0, 1, 1, 0, 1, 1, 0, 1, 1, 0, 0}, {1, 0, 1, 0, 0, 1, 1, 0, 0, 1, 0, 0}, {1, 1, 1, 1, 0, 1, 1, 0, 1, 0, 0, 0}, {0, 1, 1, 0, 0, 1, 1, 0, 0, 0, 0, 0}, {0, 1, 0, 1, 0, 1, 1, 0, 1, 1, 0, 1}, {1, 1, 0, 0, 0, 1, 1, 0, 0, 1, 0, 1}, {1, 0, 0, 1, 0, 1, 1, 0, 1, 0, 0, 1}, {0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 1}, {0, 0, 0, 0, 0, 1, 0, 1, 0, 0, 1, 1}, {1, 0, 0, 1, 0, 1, 0, 1, 1, 0, 1, 1}, {1, 1, 0, 0, 0, 1, 0, 1, 0, 1, 1, 1}, {0, 1, 0, 1, 0, 1, 0, 1, 1, 1, 1, 1}, {0, 1, 1, 0, 0, 1, 0, 1, 0, 0, 1, 0}, {1, 1, 1, 1, 0, 1, 0, 1, 1, 0, 1, 0}, {1, 0, 1, 0, 0, 1, 0, 1, 0, 1, 1, 0}, {0, 0, 1, 1, 0, 1, 0, 1, 1, 1, 1, 0}, {0, 0, 1, 1, 0, 1, 0, 1, 0, 0, 0, 1}, {1, 0, 1, 0, 0, 1, 0, 1, 1, 0, 0, 1}, {1, 1, 1, 1, 0, 1, 0, 1, 0, 1, 0, 1}, {0, 1, 1, 0, 0, 1, 0, 1, 1, 1, 0, 1}, {0, 1, 0, 1, 0, 1, 0, 1, 0, 0, 0, 0}, {1, 1, 0, 0, 0, 1, 0, 1, 1, 0, 0, 0}, {1, 0, 0, 1, 0, 1, 0, 1, 0, 1, 0, 0}, {0, 0, 0, 0, 0, 1, 0, 1, 1, 1, 0, 0}, {0, 0, 0, 0, 1, 1, 0, 0, 1, 0, 1, 1}, {1, 0, 0, 1, 1, 1, 0, 0, 0, 0, 1, 1}, {1, 1, 0, 0, 1, 1, 0, 0, 1, 1, 1, 1}, {0, 1, 0, 1, 1, 1, 0, 0, 0, 1, 1, 1}, {0, 1, 1, 0, 1, 1, 0, 0, 1, 0, 1, 0}, {1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 1, 0}, {1, 0, 1, 0, 1, 1, 0, 0, 1, 1, 1, 0}, {0, 0, 1, 1, 1, 1, 0, 0, 0, 1, 1, 0}, {0, 0, 1, 1, 1, 1, 0, 0, 1, 0, 0, 1}, {1, 0, 1, 0, 1, 1, 0, 0, 0, 0, 0, 1}, {1, 1, 1, 1, 1, 1, 0, 0, 1, 1, 0, 1}, {0, 1, 1, 0, 1, 1, 0, 0, 0, 1, 0, 1}, {0, 1, 0, 1, 1, 1, 0, 0, 1, 0, 0, 0}, {1, 1, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0}, {1, 0, 0, 1, 1, 1, 0, 0, 1, 1, 0, 0}, {0, 0, 0, 0, 1, 1, 0, 0, 0, 1, 0, 0}, {0, 0, 0, 0, 1, 0, 0, 1, 0, 1, 1, 1}, {1, 0, 0, 1, 1, 0, 0, 1, 1, 1, 1, 1}, {1, 1, 0, 0, 1, 0, 0, 1, 0, 0, 1, 1}, {0, 1, 0, 1, 1, 0, 0, 1, 1, 0, 1, 1}, {0, 1, 1, 0, 1, 0, 0, 1, 0, 1, 1, 0}, {1, 1, 1, 1, 1, 0, 0, 1, 1, 1, 1, 0}, {1, 0, 1, 0, 1, 0, 0, 1, 0, 0, 1, 0}, {0, 0, 1, 1, 1, 0, 0, 1, 1, 0, 1, 0}, {0, 0, 1, 1, 1, 0, 0, 1, 0, 1, 0, 1}, {1, 0, 1, 0, 1, 0, 0, 1, 1, 1, 0, 1}, {1, 1, 1, 1, 1, 0, 0, 1, 0, 0, 0, 1}, {0, 1, 1, 0, 1, 0, 0, 1, 1, 0, 0, 1}, {0, 1, 0, 1, 1, 0, 0, 1, 0, 1, 0, 0}, {1, 1, 0, 0, 1, 0, 0, 1, 1, 1, 0, 0}, {1, 0, 0, 1, 1, 0, 0, 1, 0, 0, 0, 0}, {0, 0, 0, 0, 1, 0, 0, 1, 1, 0, 0, 0}, {0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 1, 1}, {1, 0, 0, 1, 0, 0, 0, 0, 0, 1, 1, 1}, {1, 1, 0, 0, 0, 0, 0, 0, 1, 0, 1, 1}, {0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 1, 1}, {0, 1, 1, 0, 0, 0, 0, 0, 1, 1, 1, 0}, {1, 1, 1, 1, 0, 0, 0, 0, 0, 1, 1, 0}, {1, 0, 1, 0, 0, 0, 0, 0, 1, 0, 1, 0}, {0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 1, 0}, {0, 0, 1, 1, 0, 0, 0, 0, 1, 1, 0, 1}, {1, 0, 1, 0, 0, 0, 0, 0, 0, 1, 0, 1}, {1, 1, 1, 1, 0, 0, 0, 0, 1, 0, 0, 1}, {0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1}, {0, 1, 0, 1, 0, 0, 0, 0, 1, 1, 0, 0}, {1, 1, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0}, {1, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0}, {0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0} }; const signed char MeshGenerator::m_caseTriangles[256][16] { {-1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {0, 3, 8, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {0, 9, 1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {1, 3, 8, 9, 1, 8, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {1, 11, 2, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {0, 3, 8, 1, 11, 2, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {9, 11, 2, 0, 9, 2, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {2, 3, 8, 2, 8, 11, 11, 8, 9, -1, -1, -1, -1, -1, -1, -1}, {3, 2, 10, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {0, 2, 10, 8, 0, 10, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {1, 0, 9, 2, 10, 3, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {1, 2, 10, 1, 10, 9, 9, 10, 8, -1, -1, -1, -1, -1, -1, -1}, {3, 1, 11, 10, 3, 11, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {0, 1, 11, 0, 11, 8, 8, 11, 10, -1, -1, -1, -1, -1, -1, -1}, {3, 0, 9, 3, 9, 10, 10, 9, 11, -1, -1, -1, -1, -1, -1, -1}, {9, 11, 8, 11, 10, 8, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {4, 8, 7, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {4, 0, 3, 7, 4, 3, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {0, 9, 1, 8, 7, 4, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {4, 9, 1, 4, 1, 7, 7, 1, 3, -1, -1, -1, -1, -1, -1, -1}, {1, 11, 2, 8, 7, 4, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {3, 7, 4, 3, 4, 0, 1, 11, 2, -1, -1, -1, -1, -1, -1, -1}, {9, 11, 2, 9, 2, 0, 8, 7, 4, -1, -1, -1, -1, -1, -1, -1}, {2, 9, 11, 2, 7, 9, 2, 3, 7, 7, 4, 9, -1, -1, -1, -1}, {8, 7, 4, 3, 2, 10, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {10, 7, 4, 10, 4, 2, 2, 4, 0, -1, -1, -1, -1, -1, -1, -1}, {9, 1, 0, 8, 7, 4, 2, 10, 3, -1, -1, -1, -1, -1, -1, -1}, {4, 10, 7, 9, 10, 4, 9, 2, 10, 9, 1, 2, -1, -1, -1, -1}, {3, 1, 11, 3, 11, 10, 7, 4, 8, -1, -1, -1, -1, -1, -1, -1}, {1, 11, 10, 1, 10, 4, 1, 4, 0, 7, 4, 10, -1, -1, -1, -1}, {4, 8, 7, 9, 10, 0, 9, 11, 10, 10, 3, 0, -1, -1, -1, -1}, {4, 10, 7, 4, 9, 10, 9, 11, 10, -1, -1, -1, -1, -1, -1, -1}, {9, 4, 5, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {9, 4, 5, 0, 3, 8, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {0, 4, 5, 1, 0, 5, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {8, 4, 5, 8, 5, 3, 3, 5, 1, -1, -1, -1, -1, -1, -1, -1}, {1, 11, 2, 9, 4, 5, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {3, 8, 0, 1, 11, 2, 4, 5, 9, -1, -1, -1, -1, -1, -1, -1}, {5, 11, 2, 5, 2, 4, 4, 2, 0, -1, -1, -1, -1, -1, -1, -1}, {2, 5, 11, 3, 5, 2, 3, 4, 5, 3, 8, 4, -1, -1, -1, -1}, {9, 4, 5, 2, 10, 3, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {0, 2, 10, 0, 10, 8, 4, 5, 9, -1, -1, -1, -1, -1, -1, -1}, {0, 4, 5, 0, 5, 1, 2, 10, 3, -1, -1, -1, -1, -1, -1, -1}, {2, 5, 1, 2, 8, 5, 2, 10, 8, 4, 5, 8, -1, -1, -1, -1}, {11, 10, 3, 11, 3, 1, 9, 4, 5, -1, -1, -1, -1, -1, -1, -1}, {4, 5, 9, 0, 1, 8, 8, 1, 11, 8, 11, 10, -1, -1, -1, -1}, {5, 0, 4, 5, 10, 0, 5, 11, 10, 10, 3, 0, -1, -1, -1, -1}, {5, 8, 4, 5, 11, 8, 11, 10, 8, -1, -1, -1, -1, -1, -1, -1}, {9, 8, 7, 5, 9, 7, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {9, 0, 3, 9, 3, 5, 5, 3, 7, -1, -1, -1, -1, -1, -1, -1}, {0, 8, 7, 0, 7, 1, 1, 7, 5, -1, -1, -1, -1, -1, -1, -1}, {1, 3, 5, 3, 7, 5, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {9, 8, 7, 9, 7, 5, 11, 2, 1, -1, -1, -1, -1, -1, -1, -1}, {11, 2, 1, 9, 0, 5, 5, 0, 3, 5, 3, 7, -1, -1, -1, -1}, {8, 2, 0, 8, 5, 2, 8, 7, 5, 11, 2, 5, -1, -1, -1, -1}, {2, 5, 11, 2, 3, 5, 3, 7, 5, -1, -1, -1, -1, -1, -1, -1}, {7, 5, 9, 7, 9, 8, 3, 2, 10, -1, -1, -1, -1, -1, -1, -1}, {9, 7, 5, 9, 2, 7, 9, 0, 2, 2, 10, 7, -1, -1, -1, -1}, {2, 10, 3, 0, 8, 1, 1, 8, 7, 1, 7, 5, -1, -1, -1, -1}, {10, 1, 2, 10, 7, 1, 7, 5, 1, -1, -1, -1, -1, -1, -1, -1}, {9, 8, 5, 8, 7, 5, 11, 3, 1, 11, 10, 3, -1, -1, -1, -1}, {5, 0, 7, 5, 9, 0, 7, 0, 10, 1, 11, 0, 10, 0, 11, -1}, {10, 0, 11, 10, 3, 0, 11, 0, 5, 8, 7, 0, 5, 0, 7, -1}, {10, 5, 11, 7, 5, 10, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {11, 5, 6, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {0, 3, 8, 5, 6, 11, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {9, 1, 0, 5, 6, 11, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {1, 3, 8, 1, 8, 9, 5, 6, 11, -1, -1, -1, -1, -1, -1, -1}, {1, 5, 6, 2, 1, 6, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {1, 5, 6, 1, 6, 2, 3, 8, 0, -1, -1, -1, -1, -1, -1, -1}, {9, 5, 6, 9, 6, 0, 0, 6, 2, -1, -1, -1, -1, -1, -1, -1}, {5, 8, 9, 5, 2, 8, 5, 6, 2, 3, 8, 2, -1, -1, -1, -1}, {2, 10, 3, 11, 5, 6, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {10, 8, 0, 10, 0, 2, 11, 5, 6, -1, -1, -1, -1, -1, -1, -1}, {0, 9, 1, 2, 10, 3, 5, 6, 11, -1, -1, -1, -1, -1, -1, -1}, {5, 6, 11, 1, 2, 9, 9, 2, 10, 9, 10, 8, -1, -1, -1, -1}, {6, 10, 3, 6, 3, 5, 5, 3, 1, -1, -1, -1, -1, -1, -1, -1}, {0, 10, 8, 0, 5, 10, 0, 1, 5, 5, 6, 10, -1, -1, -1, -1}, {3, 6, 10, 0, 6, 3, 0, 5, 6, 0, 9, 5, -1, -1, -1, -1}, {6, 9, 5, 6, 10, 9, 10, 8, 9, -1, -1, -1, -1, -1, -1, -1}, {5, 6, 11, 4, 8, 7, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {4, 0, 3, 4, 3, 7, 6, 11, 5, -1, -1, -1, -1, -1, -1, -1}, {1, 0, 9, 5, 6, 11, 8, 7, 4, -1, -1, -1, -1, -1, -1, -1}, {11, 5, 6, 1, 7, 9, 1, 3, 7, 7, 4, 9, -1, -1, -1, -1}, {6, 2, 1, 6, 1, 5, 4, 8, 7, -1, -1, -1, -1, -1, -1, -1}, {1, 5, 2, 5, 6, 2, 3, 4, 0, 3, 7, 4, -1, -1, -1, -1}, {8, 7, 4, 9, 5, 0, 0, 5, 6, 0, 6, 2, -1, -1, -1, -1}, {7, 9, 3, 7, 4, 9, 3, 9, 2, 5, 6, 9, 2, 9, 6, -1}, {3, 2, 10, 7, 4, 8, 11, 5, 6, -1, -1, -1, -1, -1, -1, -1}, {5, 6, 11, 4, 2, 7, 4, 0, 2, 2, 10, 7, -1, -1, -1, -1}, {0, 9, 1, 4, 8, 7, 2, 10, 3, 5, 6, 11, -1, -1, -1, -1}, {9, 1, 2, 9, 2, 10, 9, 10, 4, 7, 4, 10, 5, 6, 11, -1}, {8, 7, 4, 3, 5, 10, 3, 1, 5, 5, 6, 10, -1, -1, -1, -1}, {5, 10, 1, 5, 6, 10, 1, 10, 0, 7, 4, 10, 0, 10, 4, -1}, {0, 9, 5, 0, 5, 6, 0, 6, 3, 10, 3, 6, 8, 7, 4, -1}, {6, 9, 5, 6, 10, 9, 4, 9, 7, 7, 9, 10, -1, -1, -1, -1}, {11, 9, 4, 6, 11, 4, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {4, 6, 11, 4, 11, 9, 0, 3, 8, -1, -1, -1, -1, -1, -1, -1}, {11, 1, 0, 11, 0, 6, 6, 0, 4, -1, -1, -1, -1, -1, -1, -1}, {8, 1, 3, 8, 6, 1, 8, 4, 6, 6, 11, 1, -1, -1, -1, -1}, {1, 9, 4, 1, 4, 2, 2, 4, 6, -1, -1, -1, -1, -1, -1, -1}, {3, 8, 0, 1, 9, 2, 2, 9, 4, 2, 4, 6, -1, -1, -1, -1}, {0, 4, 2, 4, 6, 2, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {8, 2, 3, 8, 4, 2, 4, 6, 2, -1, -1, -1, -1, -1, -1, -1}, {11, 9, 4, 11, 4, 6, 10, 3, 2, -1, -1, -1, -1, -1, -1, -1}, {0, 2, 8, 2, 10, 8, 4, 11, 9, 4, 6, 11, -1, -1, -1, -1}, {3, 2, 10, 0, 6, 1, 0, 4, 6, 6, 11, 1, -1, -1, -1, -1}, {6, 1, 4, 6, 11, 1, 4, 1, 8, 2, 10, 1, 8, 1, 10, -1}, {9, 4, 6, 9, 6, 3, 9, 3, 1, 10, 3, 6, -1, -1, -1, -1}, {8, 1, 10, 8, 0, 1, 10, 1, 6, 9, 4, 1, 6, 1, 4, -1}, {3, 6, 10, 3, 0, 6, 0, 4, 6, -1, -1, -1, -1, -1, -1, -1}, {6, 8, 4, 10, 8, 6, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {7, 6, 11, 7, 11, 8, 8, 11, 9, -1, -1, -1, -1, -1, -1, -1}, {0, 3, 7, 0, 7, 11, 0, 11, 9, 6, 11, 7, -1, -1, -1, -1}, {11, 7, 6, 1, 7, 11, 1, 8, 7, 1, 0, 8, -1, -1, -1, -1}, {11, 7, 6, 11, 1, 7, 1, 3, 7, -1, -1, -1, -1, -1, -1, -1}, {1, 6, 2, 1, 8, 6, 1, 9, 8, 8, 7, 6, -1, -1, -1, -1}, {2, 9, 6, 2, 1, 9, 6, 9, 7, 0, 3, 9, 7, 9, 3, -1}, {7, 0, 8, 7, 6, 0, 6, 2, 0, -1, -1, -1, -1, -1, -1, -1}, {7, 2, 3, 6, 2, 7, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {2, 10, 3, 11, 8, 6, 11, 9, 8, 8, 7, 6, -1, -1, -1, -1}, {2, 7, 0, 2, 10, 7, 0, 7, 9, 6, 11, 7, 9, 7, 11, -1}, {1, 0, 8, 1, 8, 7, 1, 7, 11, 6, 11, 7, 2, 10, 3, -1}, {10, 1, 2, 10, 7, 1, 11, 1, 6, 6, 1, 7, -1, -1, -1, -1}, {8, 6, 9, 8, 7, 6, 9, 6, 1, 10, 3, 6, 1, 6, 3, -1}, {0, 1, 9, 10, 7, 6, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {7, 0, 8, 7, 6, 0, 3, 0, 10, 10, 0, 6, -1, -1, -1, -1}, {7, 6, 10, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {7, 10, 6, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {3, 8, 0, 10, 6, 7, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {0, 9, 1, 10, 6, 7, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {8, 9, 1, 8, 1, 3, 10, 6, 7, -1, -1, -1, -1, -1, -1, -1}, {11, 2, 1, 6, 7, 10, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {1, 11, 2, 3, 8, 0, 6, 7, 10, -1, -1, -1, -1, -1, -1, -1}, {2, 0, 9, 2, 9, 11, 6, 7, 10, -1, -1, -1, -1, -1, -1, -1}, {6, 7, 10, 2, 3, 11, 11, 3, 8, 11, 8, 9, -1, -1, -1, -1}, {7, 3, 2, 6, 7, 2, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {7, 8, 0, 7, 0, 6, 6, 0, 2, -1, -1, -1, -1, -1, -1, -1}, {2, 6, 7, 2, 7, 3, 0, 9, 1, -1, -1, -1, -1, -1, -1, -1}, {1, 2, 6, 1, 6, 8, 1, 8, 9, 8, 6, 7, -1, -1, -1, -1}, {11, 6, 7, 11, 7, 1, 1, 7, 3, -1, -1, -1, -1, -1, -1, -1}, {11, 6, 7, 1, 11, 7, 1, 7, 8, 1, 8, 0, -1, -1, -1, -1}, {0, 7, 3, 0, 11, 7, 0, 9, 11, 6, 7, 11, -1, -1, -1, -1}, {7, 11, 6, 7, 8, 11, 8, 9, 11, -1, -1, -1, -1, -1, -1, -1}, {6, 4, 8, 10, 6, 8, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {3, 10, 6, 3, 6, 0, 0, 6, 4, -1, -1, -1, -1, -1, -1, -1}, {8, 10, 6, 8, 6, 4, 9, 1, 0, -1, -1, -1, -1, -1, -1, -1}, {9, 6, 4, 9, 3, 6, 9, 1, 3, 10, 6, 3, -1, -1, -1, -1}, {6, 4, 8, 6, 8, 10, 2, 1, 11, -1, -1, -1, -1, -1, -1, -1}, {1, 11, 2, 3, 10, 0, 0, 10, 6, 0, 6, 4, -1, -1, -1, -1}, {4, 8, 10, 4, 10, 6, 0, 9, 2, 2, 9, 11, -1, -1, -1, -1}, {11, 3, 9, 11, 2, 3, 9, 3, 4, 10, 6, 3, 4, 3, 6, -1}, {8, 3, 2, 8, 2, 4, 4, 2, 6, -1, -1, -1, -1, -1, -1, -1}, {0, 2, 4, 4, 2, 6, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {1, 0, 9, 2, 4, 3, 2, 6, 4, 4, 8, 3, -1, -1, -1, -1}, {1, 4, 9, 1, 2, 4, 2, 6, 4, -1, -1, -1, -1, -1, -1, -1}, {8, 3, 1, 8, 1, 6, 8, 6, 4, 6, 1, 11, -1, -1, -1, -1}, {11, 0, 1, 11, 6, 0, 6, 4, 0, -1, -1, -1, -1, -1, -1, -1}, {4, 3, 6, 4, 8, 3, 6, 3, 11, 0, 9, 3, 11, 3, 9, -1}, {11, 4, 9, 6, 4, 11, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {4, 5, 9, 7, 10, 6, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {0, 3, 8, 4, 5, 9, 10, 6, 7, -1, -1, -1, -1, -1, -1, -1}, {5, 1, 0, 5, 0, 4, 7, 10, 6, -1, -1, -1, -1, -1, -1, -1}, {10, 6, 7, 8, 4, 3, 3, 4, 5, 3, 5, 1, -1, -1, -1, -1}, {9, 4, 5, 11, 2, 1, 7, 10, 6, -1, -1, -1, -1, -1, -1, -1}, {6, 7, 10, 1, 11, 2, 0, 3, 8, 4, 5, 9, -1, -1, -1, -1}, {7, 10, 6, 5, 11, 4, 4, 11, 2, 4, 2, 0, -1, -1, -1, -1}, {3, 8, 4, 3, 4, 5, 3, 5, 2, 11, 2, 5, 10, 6, 7, -1}, {7, 3, 2, 7, 2, 6, 5, 9, 4, -1, -1, -1, -1, -1, -1, -1}, {9, 4, 5, 0, 6, 8, 0, 2, 6, 6, 7, 8, -1, -1, -1, -1}, {3, 2, 6, 3, 6, 7, 1, 0, 5, 5, 0, 4, -1, -1, -1, -1}, {6, 8, 2, 6, 7, 8, 2, 8, 1, 4, 5, 8, 1, 8, 5, -1}, {9, 4, 5, 11, 6, 1, 1, 6, 7, 1, 7, 3, -1, -1, -1, -1}, {1, 11, 6, 1, 6, 7, 1, 7, 0, 8, 0, 7, 9, 4, 5, -1}, {4, 11, 0, 4, 5, 11, 0, 11, 3, 6, 7, 11, 3, 11, 7, -1}, {7, 11, 6, 7, 8, 11, 5, 11, 4, 4, 11, 8, -1, -1, -1, -1}, {6, 5, 9, 6, 9, 10, 10, 9, 8, -1, -1, -1, -1, -1, -1, -1}, {3, 10, 6, 0, 3, 6, 0, 6, 5, 0, 5, 9, -1, -1, -1, -1}, {0, 8, 10, 0, 10, 5, 0, 5, 1, 5, 10, 6, -1, -1, -1, -1}, {6, 3, 10, 6, 5, 3, 5, 1, 3, -1, -1, -1, -1, -1, -1, -1}, {1, 11, 2, 9, 10, 5, 9, 8, 10, 10, 6, 5, -1, -1, -1, -1}, {0, 3, 10, 0, 10, 6, 0, 6, 9, 5, 9, 6, 1, 11, 2, -1}, {10, 5, 8, 10, 6, 5, 8, 5, 0, 11, 2, 5, 0, 5, 2, -1}, {6, 3, 10, 6, 5, 3, 2, 3, 11, 11, 3, 5, -1, -1, -1, -1}, {5, 9, 8, 5, 8, 2, 5, 2, 6, 3, 2, 8, -1, -1, -1, -1}, {9, 6, 5, 9, 0, 6, 0, 2, 6, -1, -1, -1, -1, -1, -1, -1}, {1, 8, 5, 1, 0, 8, 5, 8, 6, 3, 2, 8, 6, 8, 2, -1}, {1, 6, 5, 2, 6, 1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {1, 6, 3, 1, 11, 6, 3, 6, 8, 5, 9, 6, 8, 6, 9, -1}, {11, 0, 1, 11, 6, 0, 9, 0, 5, 5, 0, 6, -1, -1, -1, -1}, {0, 8, 3, 5, 11, 6, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {11, 6, 5, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {10, 11, 5, 7, 10, 5, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {10, 11, 5, 10, 5, 7, 8, 0, 3, -1, -1, -1, -1, -1, -1, -1}, {5, 7, 10, 5, 10, 11, 1, 0, 9, -1, -1, -1, -1, -1, -1, -1}, {11, 5, 7, 11, 7, 10, 9, 1, 8, 8, 1, 3, -1, -1, -1, -1}, {10, 2, 1, 10, 1, 7, 7, 1, 5, -1, -1, -1, -1, -1, -1, -1}, {0, 3, 8, 1, 7, 2, 1, 5, 7, 7, 10, 2, -1, -1, -1, -1}, {9, 5, 7, 9, 7, 2, 9, 2, 0, 2, 7, 10, -1, -1, -1, -1}, {7, 2, 5, 7, 10, 2, 5, 2, 9, 3, 8, 2, 9, 2, 8, -1}, {2, 11, 5, 2, 5, 3, 3, 5, 7, -1, -1, -1, -1, -1, -1, -1}, {8, 0, 2, 8, 2, 5, 8, 5, 7, 11, 5, 2, -1, -1, -1, -1}, {9, 1, 0, 5, 3, 11, 5, 7, 3, 3, 2, 11, -1, -1, -1, -1}, {9, 2, 8, 9, 1, 2, 8, 2, 7, 11, 5, 2, 7, 2, 5, -1}, {1, 5, 3, 3, 5, 7, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {0, 7, 8, 0, 1, 7, 1, 5, 7, -1, -1, -1, -1, -1, -1, -1}, {9, 3, 0, 9, 5, 3, 5, 7, 3, -1, -1, -1, -1, -1, -1, -1}, {9, 7, 8, 5, 7, 9, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {5, 4, 8, 5, 8, 11, 11, 8, 10, -1, -1, -1, -1, -1, -1, -1}, {5, 4, 0, 5, 0, 10, 5, 10, 11, 10, 0, 3, -1, -1, -1, -1}, {0, 9, 1, 8, 11, 4, 8, 10, 11, 11, 5, 4, -1, -1, -1, -1}, {11, 4, 10, 11, 5, 4, 10, 4, 3, 9, 1, 4, 3, 4, 1, -1}, {2, 1, 5, 2, 5, 8, 2, 8, 10, 4, 8, 5, -1, -1, -1, -1}, {0, 10, 4, 0, 3, 10, 4, 10, 5, 2, 1, 10, 5, 10, 1, -1}, {0, 5, 2, 0, 9, 5, 2, 5, 10, 4, 8, 5, 10, 5, 8, -1}, {9, 5, 4, 2, 3, 10, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {2, 11, 5, 3, 2, 5, 3, 5, 4, 3, 4, 8, -1, -1, -1, -1}, {5, 2, 11, 5, 4, 2, 4, 0, 2, -1, -1, -1, -1, -1, -1, -1}, {3, 2, 11, 3, 11, 5, 3, 5, 8, 4, 8, 5, 0, 9, 1, -1}, {5, 2, 11, 5, 4, 2, 1, 2, 9, 9, 2, 4, -1, -1, -1, -1}, {8, 5, 4, 8, 3, 5, 3, 1, 5, -1, -1, -1, -1, -1, -1, -1}, {0, 5, 4, 1, 5, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {8, 5, 4, 8, 3, 5, 9, 5, 0, 0, 5, 3, -1, -1, -1, -1}, {9, 5, 4, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {4, 7, 10, 4, 10, 9, 9, 10, 11, -1, -1, -1, -1, -1, -1, -1}, {0, 3, 8, 4, 7, 9, 9, 7, 10, 9, 10, 11, -1, -1, -1, -1}, {1, 10, 11, 1, 4, 10, 1, 0, 4, 7, 10, 4, -1, -1, -1, -1}, {3, 4, 1, 3, 8, 4, 1, 4, 11, 7, 10, 4, 11, 4, 10, -1}, {4, 7, 10, 9, 4, 10, 9, 10, 2, 9, 2, 1, -1, -1, -1, -1}, {9, 4, 7, 9, 7, 10, 9, 10, 1, 2, 1, 10, 0, 3, 8, -1}, {10, 4, 7, 10, 2, 4, 2, 0, 4, -1, -1, -1, -1, -1, -1, -1}, {10, 4, 7, 10, 2, 4, 8, 4, 3, 3, 4, 2, -1, -1, -1, -1}, {2, 11, 9, 2, 9, 7, 2, 7, 3, 7, 9, 4, -1, -1, -1, -1}, {9, 7, 11, 9, 4, 7, 11, 7, 2, 8, 0, 7, 2, 7, 0, -1}, {3, 11, 7, 3, 2, 11, 7, 11, 4, 1, 0, 11, 4, 11, 0, -1}, {1, 2, 11, 8, 4, 7, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {4, 1, 9, 4, 7, 1, 7, 3, 1, -1, -1, -1, -1, -1, -1, -1}, {4, 1, 9, 4, 7, 1, 0, 1, 8, 8, 1, 7, -1, -1, -1, -1}, {4, 3, 0, 7, 3, 4, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {4, 7, 8, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {9, 8, 11, 11, 8, 10, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {3, 9, 0, 3, 10, 9, 10, 11, 9, -1, -1, -1, -1, -1, -1, -1}, {0, 11, 1, 0, 8, 11, 8, 10, 11, -1, -1, -1, -1, -1, -1, -1}, {3, 11, 1, 10, 11, 3, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {1, 10, 2, 1, 9, 10, 9, 8, 10, -1, -1, -1, -1, -1, -1, -1}, {3, 9, 0, 3, 10, 9, 1, 9, 2, 2, 9, 10, -1, -1, -1, -1}, {0, 10, 2, 8, 10, 0, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {3, 10, 2, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {2, 8, 3, 2, 11, 8, 11, 9, 8, -1, -1, -1, -1, -1, -1, -1}, {9, 2, 11, 0, 2, 9, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {2, 8, 3, 2, 11, 8, 0, 8, 1, 1, 8, 11, -1, -1, -1, -1}, {1, 2, 11, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {1, 8, 3, 9, 8, 1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {0, 1, 9, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {0, 8, 3, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1}, {-1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1} }; const unsigned char MeshGenerator::m_edgeVertices[12][2] = { {0,1}, {1,2}, {3,2}, {0,3}, {4,5}, {5,6}, {7,6}, {4,7}, {0,4}, {1,5}, {3,7}, {2,6} }; } // End namespace Avogadro avogadrolibs-1.100.0/avogadro/qtgui/meshgenerator.h000066400000000000000000000204041474375334400223120ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_MESHGENERATOR_H #define AVOGADRO_QTGUI_MESHGENERATOR_H #include "avogadroqtguiexport.h" #include #include #include namespace Avogadro { namespace Core { class Cube; class Mesh; } // namespace Core namespace QtGui { /** * @class MeshGenerator meshgenerator.h * @brief Class that can generate Mesh objects from Cube objects. * @author Marcus D. Hanwell * @author Perminder Singh * * This class implements a method of generating an isosurface Mesh from * volumetric data using the marching cubes algorithm. In the case of the * MeshGenerator class it expects a Cube as an input and an isosurface value. * The tables and the basic code is taken from the public domain code written * by Cory Bloyd (marchingsource.cpp) and available at, * http://local.wasp.uwa.edu.au/~pbourke/geometry/polygonise/ * * You must first initialize the class and then call run() to actually * polygonize the isosurface. Connect to the classes finished() signal to * do something once the polygonization is complete. */ class AVOGADROQTGUI_EXPORT MeshGenerator : public QThread { Q_OBJECT public: /** * Constructor. */ explicit MeshGenerator(QObject* parent = nullptr); /** * Constructor. Can be used to initialize the MeshGenerator. * @param cube The source Cube with the volumetric data. * @param mesh The Mesh that will hold the isosurface. * @param iso The iso value of the surface. * @param passes Number of smoothing passes to perform. * @return True if the MeshGenerator was successfully initialized. */ MeshGenerator(const Core::Cube* cube, Core::Mesh* mesh, float iso, int passes = 6, bool reverse = false, QObject* parent = nullptr); /** * Destructor. */ ~MeshGenerator() override; /** * Initialization function, set up the MeshGenerator ready to find an * isosurface of the supplied Cube. * @param cube The source Cube with the volumetric data. * @param mesh The Mesh that will hold the isosurface. * @param iso The iso value of the surface. * @param passes Number of smoothing passes to perform. */ bool initialize(const Core::Cube* cube, Core::Mesh* mesh, float iso, int passes = 6, bool reverse = false); /** * Use this function to begin Mesh generation. Uses an asynchronous thread, * and so avoids locking the user interface while the isosurface is found. */ void run() override; /** * It holds the range and starting offsets of isosurface-intersected * edges along the x, y, and z axes for each grid cell. */ struct gridEdge { gridEdge() : xl(0), xr(0), xstart(0), ystart(0), zstart(0) {} // trim values // set on pass 1 int xl; int xr; // modified on pass 2 // set on pass 3 int xstart; int ystart; int zstart; }; /** * Handles duplicate vertices (Not implemented). Placeholder for future * functionality. */ unsigned long duplicate(const Vector3i& c, const Vector3f& pos); /** * @name Flying Edges * Methods to implement the "flying edges" method for isosurface mesh * generation. Flying edges: A high-performance scalable isocontouring * algorithm Schroeder; Maynard; Geveci; 2015 IEEE 5th Symposium on Large Data * Analysis and Visualization (LDAV) * [10.1109/LDAV.2015.7348069](https://doi.org/10.1109/LDAV.2015.7348069) * Alternate (non-VTK) implementation at * https://github.com/sandialabs/miniIsosurface/blob/master/flyingEdges/ * @{ */ /** * Pass 1 for flying edges. Pass1 detects and records * where the isosurface intersects each row of grid edges * along the x-axis. */ void FlyingEdgesAlgorithmPass1(); /** * Pass2 assigns case identifiers to each grid cell based on * intersected edges and tallies the number of triangles needed * for mesh construction. */ void FlyingEdgesAlgorithmPass2(); /** * Pass3 computes cumulative offsets for triangles * and vertices and allocates memory for the mesh structures. */ void FlyingEdgesAlgorithmPass3(); /** * Calculates normals, triangles and vertices. */ void FlyingEdgesAlgorithmPass4(); /**@}*/ /** * @return The Cube being used by the class. */ const Core::Cube* cube() const { return m_cube; } /** * Determines the x-range (xl to xr) where isosurface intersections * occur, optimizing calculations within this range. */ inline void calcTrimValues(int& xl, int& xr, int const& j, int const& k) const; /** * Indicates which edges intersects the isosurface. */ inline unsigned char calcCubeCase(unsigned char const& ec0, unsigned char const& ec1, unsigned char const& ec2, unsigned char const& ec3) const; /** * @return The Mesh being generated by the class. */ Core::Mesh* mesh() const { return m_mesh; } /** * Clears the contents of the MeshGenerator. */ void clear(); /** * @return The minimum value of the progress value. */ int progressMinimum() { return m_progmin; } /** * @return The maximum value of the progress value. */ int progressMaximum() { return m_progmax; } signals: /** * The current value of the calculation's progress. */ void progressValueChanged(int); protected: /** * isCutEdge checks whether the grid edge at position (i, j, k) is * intersected by the isosurface based on edge case conditions. * @return Boolean if it's intersected or not. */ bool isCutEdge(int const& i, int const& j, int const& k) const; /** * It computes the 3D intersection point on a cube edge via interpolation. */ inline std::array interpolateOnCube( std::array, 8> const& pts, std::array const& isovals, unsigned char const& edge) const; /** * It linearly interpolates between two 3D points, a and b, using * the given weight to determine the intermediate position. */ inline std::array interpolate(std::array const& a, std::array const& b, float const& weight) const; /** * calcCaseEdge determines an edge case code (0–3) based on two boolean edge * comparisons. */ inline unsigned char calcCaseEdge(bool const& prevEdge, bool const& currEdge) const; float m_iso; /** The value of the isosurface. */ int m_passes; /** Number of smoothing passes to perform. */ bool m_reverseWinding; /** Whether the winding and normals are reversed. */ const Core::Cube* m_cube; /** The cube that we are generating a Mesh from. */ Core::Mesh* m_mesh; /** The mesh that is being generated. */ Vector3f m_stepSize; /** The step size vector for cube. */ Vector3f m_min; /** The minimum point in the cube. */ Vector3i m_dim; /** The dimensions of the cube. */ Core::Array m_normals, m_vertices; std::vector gridEdges; // size (m_dim.y() * m_dim.z()) std::vector cubeCases; // size ((m_dim.x() - 1) * (m_dim.y() - 1) * (m_dim.z() - 1)) std::vector triCounter; // size ((m_dim.y() - 1) * (m_dim.z() - 1)) std::vector edgeCases; // size ((m_dim.x() - 1) * (m_dim.y()) * (m_dim.z())) Core::Array m_triangles; // triangles of a mesh int m_progmin; int m_progmax; /** * These are the lookup tables for flying edges. * Reference : * https://github.com/sandialabs/miniIsosurface/blob/master/flyingEdges/util/MarchingCubesTables.h */ static const unsigned char m_numTris[256]; static const bool m_isCut[256][12]; static const signed char m_caseTriangles[256][16]; static const unsigned char m_edgeVertices[12][2]; }; } // End namespace QtGui } // End namespace Avogadro #endif // AVOGADRO_QTGUI_MESHGENERATOR_H avogadrolibs-1.100.0/avogadro/qtgui/molecule.cpp000066400000000000000000000203441474375334400216120ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "molecule.h" #include "rwmolecule.h" #include namespace Avogadro::QtGui { using std::swap; Molecule::Molecule(QObject* p) : QObject(p), Core::Molecule(), m_undoMolecule(new RWMolecule(*this, this)) { m_undoMolecule->setInteractive(false); } Molecule::Molecule(const Molecule& other) : QObject(), Core::Molecule(other), m_undoMolecule(new RWMolecule(*this, this)) { m_undoMolecule->setInteractive(false); // Now assign the unique ids for (Index i = 0; i < atomCount(); i++) m_atomUniqueIds.push_back(i); for (Index i = 0; i < bondCount(); i++) m_bondUniqueIds.push_back(i); } Molecule::Molecule(const Core::Molecule& other) : QObject(), Core::Molecule(other) { // Now assign the unique ids for (Index i = 0; i < atomCount(); i++) m_atomUniqueIds.push_back(i); for (Index i = 0; i < bondCount(); i++) m_bondUniqueIds.push_back(i); } Molecule& Molecule::operator=(const Molecule& other) { // Call the base classes assignment operator Core::Molecule::operator=(other); // Copy over the unique ids m_atomUniqueIds = other.m_atomUniqueIds; m_bondUniqueIds = other.m_bondUniqueIds; return *this; } Molecule& Molecule::operator=(const Core::Molecule& other) { // Call the base classes assignment operator Core::Molecule::operator=(other); // Reset the unique ids. m_atomUniqueIds.clear(); for (Index i = 0; i < atomCount(); ++i) m_atomUniqueIds.push_back(i); m_bondUniqueIds.clear(); for (Index i = 0; i < bondCount(); ++i) m_bondUniqueIds.push_back(i); return *this; } Molecule::~Molecule() {} Molecule::AtomType Molecule::addAtom(unsigned char number) { m_atomUniqueIds.push_back(atomCount()); AtomType a = Core::Molecule::addAtom(number); return a; } Molecule::AtomType Molecule::addAtom(unsigned char number, Index uniqueId) { if (uniqueId >= static_cast(m_atomUniqueIds.size()) || m_atomUniqueIds[uniqueId] != MaxIndex) { return AtomType(); } m_atomUniqueIds[uniqueId] = atomCount(); AtomType a = Core::Molecule::addAtom(number); return a; } Molecule::AtomType Molecule::addAtom(unsigned char number, Vector3 position3d, Index uniqueId) { if (uniqueId >= static_cast(m_atomUniqueIds.size())) { m_atomUniqueIds.push_back(atomCount()); return Core::Molecule::addAtom(number, position3d); } else { auto atom = Molecule::addAtom(number, uniqueId); if (atom.isValid()) atom.setPosition3d(position3d); return atom; } } bool Molecule::removeAtom(Index index) { if (index >= atomCount()) return false; Index uniqueId = findAtomUniqueId(index); if (uniqueId == MaxIndex) return false; // Unique ID of an atom that was removed: m_atomUniqueIds[uniqueId] = MaxIndex; auto newSize = static_cast(atomCount() - 1); // Before removing the atom we must first remove any bonds to it. Core::Molecule::removeAtom(index); if (index != newSize) { // movedAtomUID uniqueId = findAtomUniqueId(newSize); assert(uniqueId != MaxIndex); m_atomUniqueIds[uniqueId] = index; } return true; } bool Molecule::removeAtom(const AtomType& atom_) { return removeAtom(atom_.index()); } Molecule::AtomType Molecule::atomByUniqueId(Index uniqueId) { if (uniqueId >= static_cast(m_atomUniqueIds.size()) || m_atomUniqueIds[uniqueId] == MaxIndex) { return AtomType(); } else { return AtomType(this, m_atomUniqueIds[uniqueId]); } } Index Molecule::atomUniqueId(const AtomType& a) const { if (a.molecule() != this) return MaxIndex; return findAtomUniqueId(a.index()); } Index Molecule::atomUniqueId(Index a) const { return findAtomUniqueId(a); } Molecule::BondType Molecule::addBond(const AtomType& a, const AtomType& b, unsigned char order) { m_bondUniqueIds.push_back(bondCount()); assert(a.isValid() && a.molecule() == this); assert(b.isValid() && b.molecule() == this); BondType bond_ = Core::Molecule::addBond(a.index(), b.index(), order); return bond_; } Molecule::BondType Molecule::addBond(Avogadro::Index atomId1, Avogadro::Index atomId2, unsigned char order) { m_bondUniqueIds.push_back(bondCount()); return Core::Molecule::addBond(atomId1, atomId2, order); } void Molecule::addBonds(const Core::Array>& bonds, const Core::Array& orders) { assert(orders.size() == bonds.size()); for (Index i = 0; i < orders.size(); ++i) { addBond(bonds[i].first, bonds[i].second, orders[i]); } } void Molecule::swapBond(Index a, Index b) { Index uniqueA = findBondUniqueId(a); Index uniqueB = findBondUniqueId(b); assert(uniqueA != MaxIndex && uniqueB != MaxIndex); swap(m_bondUniqueIds[uniqueA], m_bondUniqueIds[uniqueB]); Core::Molecule::swapBond(a, b); } void Molecule::swapAtom(Index a, Index b) { if (a == b) { return; } Index uniqueA = findAtomUniqueId(a); Index uniqueB = findAtomUniqueId(b); assert(uniqueA != MaxIndex && uniqueB != MaxIndex); swap(m_atomUniqueIds[uniqueA], m_atomUniqueIds[uniqueB]); Core::Molecule::swapAtom(a, b); } Molecule::BondType Molecule::addBond(Index a, Index b, unsigned char order, Index uniqueId) { if (uniqueId >= static_cast(m_bondUniqueIds.size()) || m_bondUniqueIds[uniqueId] != MaxIndex) { return BondType(); } m_bondUniqueIds[uniqueId] = bondCount(); return Core::Molecule::addBond(a, b, order); } Molecule::BondType Molecule::addBond(const AtomType& a, const AtomType& b, unsigned char order, Index uniqueId) { if (uniqueId >= static_cast(m_bondUniqueIds.size()) || m_bondUniqueIds[uniqueId] != MaxIndex) { return BondType(); } m_bondUniqueIds[uniqueId] = bondCount(); return Core::Molecule::addBond(a, b, order); } bool Molecule::removeBond(Index index) { if (index >= bondCount()) return false; Index uniqueId = findBondUniqueId(index); if (uniqueId == MaxIndex) return false; m_bondUniqueIds[uniqueId] = MaxIndex; // Unique ID of a bond that was removed. auto newSize = static_cast(bondCount() - 1); if (index != newSize) { Index movedBondUID = findBondUniqueId(newSize); assert(movedBondUID != MaxIndex); m_bondUniqueIds[movedBondUID] = index; } Core::Molecule::removeBond(index); return true; } bool Molecule::removeBond(const BondType& bond_) { return removeBond(bond_.index()); } bool Molecule::removeBond(const AtomType& a, const AtomType& b) { return removeBond(bond(a, b).index()); } bool Molecule::removeBond(Index a, Index b) { return removeBond(bond(a, b).index()); } Molecule::BondType Molecule::bondByUniqueId(Index uniqueId) { if (uniqueId >= static_cast(m_bondUniqueIds.size()) || m_bondUniqueIds[uniqueId] == MaxIndex) { return BondType(); } else { return BondType(this, static_cast(m_bondUniqueIds[uniqueId])); } } Index Molecule::bondUniqueId(const BondType& b) const { if (b.molecule() != this) return MaxIndex; return findBondUniqueId(b.index()); } Index Molecule::bondUniqueId(Index b) const { return findBondUniqueId(b); } void Molecule::emitChanged(unsigned int change) { if (change != NoChange) emit changed(change); } void Molecule::emitUpdate() const { emit update(); } Index Molecule::findAtomUniqueId(Index index) const { for (Index i = 0; i < static_cast(m_atomUniqueIds.size()); ++i) if (m_atomUniqueIds[i] == index) return i; return MaxIndex; } Index Molecule::findBondUniqueId(Index index) const { for (Index i = 0; i < static_cast(m_bondUniqueIds.size()); ++i) if (m_bondUniqueIds[i] == index) return i; return MaxIndex; } RWMolecule* Molecule::undoMolecule() { return m_undoMolecule; } bool Molecule::isInteractive() const { if (m_undoMolecule == nullptr) return false; return m_undoMolecule->isInteractive(); } } // namespace Avogadro::QtGui avogadrolibs-1.100.0/avogadro/qtgui/molecule.h000066400000000000000000000207231474375334400212600ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_MOLECULE_H #define AVOGADRO_QTGUI_MOLECULE_H #include "avogadroqtguiexport.h" #include "persistentatom.h" #include "persistentbond.h" #include #include #include #include namespace Avogadro { namespace QtGui { class Mesh; class RWMolecule; /** * @class Molecule molecule.h * @brief A QObject derived molecule object with signals/slots. */ class AVOGADROQTGUI_EXPORT Molecule : public QObject, public Core::Molecule { Q_OBJECT public: /** Typedef for Atom class. */ typedef Core::Molecule::AtomType AtomType; /** Typedef for PersistentAtom class. */ typedef PersistentAtom PersistentAtomType; /** Typedef for Bond class. */ typedef Core::Molecule::BondType BondType; /** Typedef for PersistentBond class. */ typedef PersistentBond PersistentBondType; Molecule(QObject* parent_ = nullptr); ~Molecule() override; /** copy constructor */ Molecule(const Molecule& other); /** copy constructor to copy data from base instance */ Molecule(const Core::Molecule& other); /** Assignment operator */ Molecule& operator=(const Molecule& other); /** Assignment operator to copy data from base instance */ Molecule& operator=(const Core::Molecule& other); /** * \enum MoleculeChange *Enumeration of change types that can be given. */ enum MoleculeChange { /** Useful for initializing MoleculeChange variables. */ NoChange = 0x0, /** Object types that can be changed. */ Atoms = 0x01, Bonds = 0x02, UnitCell = 0x04, Selection = 0x08, Layers = 0x16, Properties = 0x32, /** Operations that can affect the above types. */ Added = 0x1024, Removed = 0x2048, Modified = 0x4096 }; Q_DECLARE_FLAGS(MoleculeChanges, MoleculeChange) /** * Add an atom with @p atomicNumber to the molecule. * @return The atom created. */ AtomType addAtom(unsigned char atomicNumber) override; /** * Add an atom with @p atomicNumber and @p uniqueId to the molecule. * @return The atom created. This can be invalid if the unique ID was already * in use. */ virtual AtomType addAtom(unsigned char atomicNumber, Index uniqueId); AtomType addAtom(unsigned char number, Vector3 position3d, Index uniqueId = MaxIndex); /** * @brief Remove the specified atom from the molecule. * @param index The index of the atom to be removed. * @return True on success, false if the atom was not found. */ bool removeAtom(Index index) override; /** * @brief Remove the specified atom from the molecule. * @param atom The atom to be removed. * @return True on success, false if the atom was not found. * @overload */ bool removeAtom(const AtomType& atom) override; /** * @brief Get the atom referenced by the @p uniqueId, the isValid method * should be queried to ensure the id still referenced a valid atom. * @param uniqueId The unique identifier for the atom. * @return An Atom object, check it is valid before using it. */ AtomType atomByUniqueId(Index uniqueId); /** * @brief Get the unique ID of the atom, this will uniquely reference the atom * as long as it exists. * @param atom The atom to obtain the unique ID of. * @return The unique identifier for the atom, MaxIndex if the atom is invalid * or does not belong to this molecule. * @{ */ Index atomUniqueId(const AtomType& atom) const; Index atomUniqueId(Index atom) const; /** @} */ Core::Array& atomUniqueIds() { return m_atomUniqueIds; } /** * @brief Add a bond between the specified atoms. * @param a The first atom in the bond. * @param b The second atom in the bond. * @param bondOrder The order of the bond. * @return The bond created. */ BondType addBond(const AtomType& a, const AtomType& b, unsigned char bondOrder = 1) override; /** * @brief Add a bond between the specified atoms. * @param atomId1 The index of the first atom in the bond. * @param atomId2 The index of the second atom in the bond. * @param bondOrder The order of the bond. * @return The bond created. */ BondType addBond(Index atomId1, Index atomId2, unsigned char bondOrder = 1) override; void addBonds(const Core::Array>& bonds, const Core::Array& orders); /** * @brief Add a bond between the specified atoms. * @param a The first atom in the bond. * @param b The second atom in the bond. * @param bondOrder The order of the bond. * @param uniqueId The unique ID to use for the bond. * @return The bond created. This can be invalid if the unique ID was already * in use. */ virtual BondType addBond(const AtomType& a, const AtomType& b, unsigned char bondOrder, Index uniqueId); /** * @brief Add a bond between the specified atoms. * @param a The index of the first atom in the bond. * @param b The index of the second atom in the bond. * @param bondOrder The order of the bond. * @param uniqueId The unique ID to use for the bond. * @return The bond created. This can be invalid if the unique ID was already * in use. */ virtual BondType addBond(Index atomId1, Index atomId2, unsigned char bondOrder, Index uniqueId); /** * @brief Remove the specified bond. * @param index The index of the bond to be removed. * @return True on success, false if the bond was not found. */ bool removeBond(Index index) override; /** * @brief Remove the specified bond. * @param bond The bond to be removed. * @return True on success, false if the bond was not found. * @overload */ bool removeBond(const BondType& bond) override; /** * @brief Remove the specified bond. * @param atom1 One atom in the bond. * @param atom2 The other atom in the bond. * @return True on success, false if the bond was not found. * @overload * @{ */ bool removeBond(const AtomType& atom1, const AtomType& atom2) override; bool removeBond(Index atom1, Index atom2) override; /** @} */ /** * @brief Get the bond referenced by the @p uniqueId, the isValid method * should be queried to ensure the id still referenced a valid bond. * @param uniqueId The unique identifier for the bond. * @return A Bond object, check it is valid before using it. */ BondType bondByUniqueId(Index uniqueId); /** * @brief Get the unique ID of the bond, this will uniquely reference the bond * as long as it exists. * @param bond The bond to obtain the unique ID of. * @return The unique identifier for the bond, MaxIndex if the bond is invalid * or does not belong to this molecule. * @{ */ Index bondUniqueId(const BondType& bond) const; Index bondUniqueId(Index bond) const; /** @} */ Core::Array& bondUniqueIds() { return m_bondUniqueIds; } Index findAtomUniqueId(Index index) const; Index findBondUniqueId(Index index) const; RWMolecule* undoMolecule(); bool isInteractive() const; void swapBond(Index a, Index b); void swapAtom(Index a, Index b); public slots: /** * @brief Force the molecule to emit the changed() signal. * @param change See changed(). */ void emitChanged(unsigned int change); /** * @brief Request an update through the update() signal */ void emitUpdate() const; signals: /** * @brief Indicates that the molecule has changed. * @param change Use the MoleculeChange enum to check what has changed. * * The @p change variable indicates what has changed, i.e. if * change & Atoms == true then atoms were changed in some way, and if * change & Removed == true then one or more atoms were removed. */ void changed(unsigned int change) const; /** * @brief Request an update of the molecule. * (e.g., re-compute properties) */ void update() const; private: Core::Array m_atomUniqueIds; Core::Array m_bondUniqueIds; friend class RWMolecule; RWMolecule* m_undoMolecule; }; Q_DECLARE_OPERATORS_FOR_FLAGS(Molecule::MoleculeChanges) } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_MOLECULE_H avogadrolibs-1.100.0/avogadro/qtgui/moleculemodel.cpp000066400000000000000000000122131474375334400226270ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "molecule.h" #include "moleculemodel.h" #include #include #include namespace Avogadro::QtGui { MoleculeModel::MoleculeModel(QObject* p) : QAbstractItemModel(p), m_activeMolecule(nullptr) {} QModelIndex MoleculeModel::parent(const QModelIndex&) const { return QModelIndex(); } int MoleculeModel::rowCount(const QModelIndex& p) const { if (p.isValid()) return 0; else return m_molecules.size(); } int MoleculeModel::columnCount(const QModelIndex&) const { return 2; } Qt::ItemFlags MoleculeModel::flags(const QModelIndex& idx) const { if (idx.column() == 0) return static_cast(Qt::ItemIsEditable | Qt::ItemIsEnabled); else return Qt::ItemIsEnabled; } bool MoleculeModel::setData(const QModelIndex& idx, const QVariant& value, int role) { if (!idx.isValid() || idx.column() > 2) return false; auto* object = static_cast(idx.internalPointer()); auto* mol = qobject_cast(object); if (!mol) return false; switch (role) { case Qt::CheckStateRole: m_activeMolecule = mol; if (value == Qt::Checked /*&& !item->isEnabled()*/) { // item->setEnabled(true); emit moleculeStateChanged(mol); } else if (value == Qt::Unchecked /*&& item->isEnabled()*/) { // item->setEnabled(false); emit moleculeStateChanged(mol); } emit dataChanged(idx, idx); return true; case Qt::EditRole: if (!value.toString().isEmpty()) { // don't set an empty name mol->setData("name", std::string(value.toString().toLatin1())); emit dataChanged(idx, idx); } return true; } return false; } QVariant MoleculeModel::data(const QModelIndex& idx, int role) const { if (!idx.isValid() || idx.column() > 2) return QVariant(); auto* object = static_cast(idx.internalPointer()); auto* mol = qobject_cast(object); if (!mol) return QVariant(); if (idx.column() == 0) { switch (role) { case Qt::DisplayRole: { std::string name = tr("Untitled").toStdString(); if (mol && mol->hasData("name") && !(mol->data("name").toString().empty())) { // don't set an empty name name = mol->data("name").toString(); } else if (mol && mol->hasData("fileName")) { name = QFileInfo(mol->data("fileName").toString().c_str()) .fileName() .toStdString(); } if (mol) return (name + " (" + mol->formula() + ")").c_str(); else return "Edit molecule"; } case Qt::EditRole: return mol->data("name").toString().c_str(); case Qt::ToolTipRole: if (mol->hasData("fileName")) return mol->data("fileName").toString().c_str(); return "Not saved"; case Qt::WhatsThisRole: return mol->formula().c_str(); case Qt::ForegroundRole: if (mol == m_activeMolecule) return QVariant(QColor(Qt::red)); else return QVariant(QColor(Qt::black)); default: return QVariant(); } } else if (idx.column() == 1) { if (role == Qt::DecorationRole) return QIcon(":/icons/fallback/32x32/edit-delete.png"); } return QVariant(); } QModelIndex MoleculeModel::index(int row, int column, const QModelIndex& p) const { if (!p.isValid()) if (row >= 0 && row < m_molecules.size()) return createIndex(row, column, m_molecules[row]); return QModelIndex(); } void MoleculeModel::clear() { m_molecules.clear(); } QList MoleculeModel::molecules() const { return m_molecules; } QList MoleculeModel::activeMolecules() const { QList result; foreach (Molecule* mol, m_molecules) { if (true) result << mol; } return result; } void MoleculeModel::setActiveMolecule(QObject* active) { if (m_activeMolecule == active) return; m_activeMolecule = active; emit dataChanged(createIndex(0, 0), createIndex(m_molecules.size(), 0)); } void MoleculeModel::addItem(Molecule* item) { if (!m_molecules.contains(item)) { int row = m_molecules.size(); beginInsertRows(QModelIndex(), row, row); m_molecules.append(item); item->setParent(this); endInsertRows(); } } void MoleculeModel::removeItem(Molecule* item) { if (m_molecules.contains(item)) { int row = m_molecules.indexOf(item); beginRemoveRows(QModelIndex(), row, row); m_molecules.removeAt(row); // Do we want strong ownership of molecules? item->deleteLater(); endRemoveRows(); } } void MoleculeModel::itemChanged() { auto* item = qobject_cast(sender()); if (item) { int row = m_molecules.indexOf(item); if (row >= 0) emit dataChanged(createIndex(row, 0), createIndex(row, 0)); } } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtgui/moleculemodel.h000066400000000000000000000041121474375334400222730ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_MOLECULEMODEL_H #define AVOGADRO_QTGUI_MOLECULEMODEL_H #include "avogadroqtguiexport.h" #include #include namespace Avogadro { namespace QtGui { class Molecule; struct MoleculeSystem { MoleculeSystem() : m_molecule(nullptr), m_dirty(false), m_active(false) {} Molecule* m_molecule; Eigen::Affine3f m_modelView; bool m_dirty; bool m_active; }; /** * @class MoleculeModel moleculemodel.h * @brief A model containing molecules. * @author Marcus D. Hanwell */ class AVOGADROQTGUI_EXPORT MoleculeModel : public QAbstractItemModel { Q_OBJECT public: explicit MoleculeModel(QObject* p = nullptr); QModelIndex parent(const QModelIndex& child) const override; int rowCount(const QModelIndex& parent) const override; int columnCount(const QModelIndex& parent) const override; Qt::ItemFlags flags(const QModelIndex& index) const override; bool setData(const QModelIndex& index, const QVariant& value, int role) override; QVariant data(const QModelIndex& index, int role) const override; QModelIndex index(int row, int column, const QModelIndex& parent = QModelIndex()) const override; void clear(); QList molecules() const; QList activeMolecules() const; QObject* activeMolecule() const { return m_activeMolecule; } signals: void moleculeStateChanged(Avogadro::QtGui::Molecule*); public slots: void setActiveMolecule(QObject* active); void addItem(Avogadro::QtGui::Molecule* item); void removeItem(Avogadro::QtGui::Molecule* item); void itemChanged(); private: QList m_molecules; QObject* m_activeMolecule; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_MOLECULEMODEL_H avogadrolibs-1.100.0/avogadro/qtgui/multiviewwidget.cpp000066400000000000000000000164371474375334400232460ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "multiviewwidget.h" #include "containerwidget.h" #include "viewfactory.h" #include #include #include #include #include #include namespace Avogadro::QtGui { class ActiveWidgetFilter : public QObject { Q_OBJECT public: ActiveWidgetFilter(MultiViewWidget* p = nullptr) : QObject(p) , m_widget(p) {} signals: void activeWidget(QWidget* widget); protected: bool eventFilter(QObject* obj, QEvent* e) override { Q_ASSERT(m_widget); if (e->type() == QEvent::MouseButtonPress) { QWidget* w = qobject_cast(obj); if (w && w != m_widget->activeWidget()) { m_widget->setActiveWidget(w); return true; } } return QObject::eventFilter(obj, e); } MultiViewWidget* m_widget; }; MultiViewWidget::MultiViewWidget(QWidget* p, Qt::WindowFlags f) : QWidget(p, f) , m_factory(nullptr) , m_activeWidget(nullptr) , m_activeFilter(new ActiveWidgetFilter(this)) {} MultiViewWidget::~MultiViewWidget() {} void MultiViewWidget::addWidget(QWidget* widget) { if (widget) { ContainerWidget* container = createContainer(widget); m_children << container; if (m_children.size() == 1) { auto* widgetLayout = qobject_cast(layout()); if (!widgetLayout) { widgetLayout = new QVBoxLayout; widgetLayout->setContentsMargins(0, 0, 0, 0); setLayout(widgetLayout); } widgetLayout->addWidget(container); } widget->installEventFilter(m_activeFilter); setActiveWidget(widget); } } QWidget* MultiViewWidget::activeWidget() { return m_activeWidget; } void MultiViewWidget::setActiveWidget(QWidget* widget) { if (m_activeWidget != widget) { ContainerWidget* container(nullptr); if (m_activeWidget) container = qobject_cast(m_activeWidget->parentWidget()); if (container) container->setActive(false); m_activeWidget = widget; container = nullptr; if (widget) container = qobject_cast(widget->parentWidget()); if (container) container->setActive(true); emit activeWidgetChanged(widget); } } void MultiViewWidget::splitHorizontal() { auto* container = qobject_cast(sender()); if (container) splitView(Qt::Horizontal, container); } void MultiViewWidget::splitVertical() { auto* container = qobject_cast(sender()); if (container) splitView(Qt::Vertical, container); } void MultiViewWidget::createView() { auto* button = qobject_cast(sender()); if (m_factory && button && button->parentWidget() && button->parentWidget()->parentWidget()) { QWidget* optionsWidget = button->parentWidget(); auto* container = qobject_cast(optionsWidget->parentWidget()); if (container) { auto widget = m_factory->createView(button->property("name").toString()); if (widget) { widget->installEventFilter(m_activeFilter); container->layout()->removeWidget(optionsWidget); container->layout()->addWidget(widget); optionsWidget->deleteLater(); setActiveWidget(widget); } } } } void MultiViewWidget::removeView() { auto* container = qobject_cast(sender()); if (container) { auto* splitter = qobject_cast(container->parent()); if (splitter && splitter->count() == 2) { // Get its parent, and insert the other widget into it, delete this // widget. auto* splitterParent = qobject_cast(splitter->parent()); QWidget* moveWidget = splitter->widget(0); if (moveWidget == container) moveWidget = splitter->widget(1); setActiveWidget(moveWidget); if (splitterParent) { int idx = splitterParent->indexOf(splitter); splitterParent->insertWidget(idx, moveWidget); splitter->deleteLater(); } else if (splitter->parent() == this) { // No more splits - back to single view widget. auto* layoutParent = qobject_cast(layout()); if (layoutParent) { layoutParent->addWidget(moveWidget); layoutParent->removeWidget(splitter); splitter->deleteLater(); } } } else if (container->parent() == this) { // Delete the current container, and create the option container. auto* vLayout = qobject_cast(layout()); container->deleteLater(); ContainerWidget* newContainer = createContainer(); vLayout->addWidget(newContainer); setActiveWidget(newContainer); } } } ContainerWidget* MultiViewWidget::createContainer(QWidget* widget) { auto* container = new ContainerWidget; connect(container, SIGNAL(splitHorizontal()), SLOT(splitHorizontal())); connect(container, SIGNAL(splitVertical()), SLOT(splitVertical())); connect(container, SIGNAL(closeView()), SLOT(removeView())); if (widget) { container->setViewWidget(widget); } // If we have a factory, then create the options widget too! else if (m_factory) { auto* optionsWidget = new QWidget; auto* v = new QVBoxLayout; optionsWidget->setLayout(v); v->addStretch(); foreach (const QString& name, m_factory->views()) { auto* button = new QPushButton(name); button->setProperty("name", name); button->setToolTip(tr("Create a new view")); connect(button, SIGNAL(clicked()), SLOT(createView())); auto* h = new QHBoxLayout; h->addStretch(); h->addWidget(button); h->addStretch(); v->addLayout(h); } v->addStretch(); container->layout()->addWidget(optionsWidget); } return container; } void MultiViewWidget::splitView(Qt::Orientation orient, ContainerWidget* container) { auto* widgetLayout = qobject_cast(container->parent()); auto* split = qobject_cast(container->parent()); if (!widgetLayout) if (container->parent() == this) widgetLayout = qobject_cast(layout()); if (widgetLayout) { auto* splitter = new QSplitter(orient, this); widgetLayout->removeWidget(container); widgetLayout->addWidget(splitter); splitter->addWidget(container); container = createContainer(); splitter->addWidget(container); QList sizes; int s = Qt::Horizontal ? splitter->size().width() / 2 : splitter->size().height() / 2; sizes << s << s; splitter->setSizes(sizes); } else if (split) { auto* splitter = new QSplitter(orient, this); int idx = split->indexOf(container); splitter->addWidget(container); container = createContainer(); splitter->addWidget(container); split->insertWidget(idx, splitter); QList sizes; int s = Qt::Horizontal ? splitter->size().width() / 2 : splitter->size().height() / 2; sizes << s << s; splitter->setSizes(sizes); } } } // End Avogadro namespace #include "multiviewwidget.moc" avogadrolibs-1.100.0/avogadro/qtgui/multiviewwidget.h000066400000000000000000000036531474375334400227070ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_MULTIVIEWWIDGET_H #define AVOGADRO_QTGUI_MULTIVIEWWIDGET_H #include "avogadroqtguiexport.h" #include namespace Avogadro { namespace QtGui { class ContainerWidget; class ViewFactory; class ActiveWidgetFilter; /** * @class MultiViewWidget multiviewwidget.h * @brief A widget that contains other views, taking on responsibility for * defining the active view, the layout of the subviews and ownership of the * widgets. * @author Marcus D. Hanwell */ class AVOGADROQTGUI_EXPORT MultiViewWidget : public QWidget { Q_OBJECT public: explicit MultiViewWidget(QWidget* parent = nullptr, Qt::WindowFlags f = Qt::WindowFlags()); ~MultiViewWidget() override; void addWidget(QWidget* widget); /** * @brief Get the currently active widget. * @return The active widget. */ QWidget* activeWidget(); void setActiveWidget(QWidget* widget); void setFactory(ViewFactory* factory) { m_factory = factory; } void setDefaultView(const QString& viewName) { m_defaultView = viewName; } signals: void activeWidgetChanged(QWidget* widget); public slots: void splitHorizontal(); void splitVertical(); void createView(); void removeView(); private: QList m_children; ViewFactory* m_factory; QString m_defaultView; QWidget* m_activeWidget; ActiveWidgetFilter* m_activeFilter; ContainerWidget* createContainer(QWidget* widget = nullptr); void splitView(Qt::Orientation orient, ContainerWidget* container); }; } // End QtGui namespace } // End Avogadro namespace #endif // AVOGADRO_QTGUI_MULTIVIEWWIDGET_H avogadrolibs-1.100.0/avogadro/qtgui/periodictablescene_p.cpp000066400000000000000000000107461474375334400241550ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "periodictablescene_p.h" #include "elementdetail_p.h" #include "elementitem_p.h" #include "elementtranslator.h" #include #include #include #include #include namespace Avogadro::QtGui { PeriodicTableScene::PeriodicTableScene(QObject* parent_) : QGraphicsScene(parent_) { int width_ = 26; int height_ = 26; m_detail = new ElementDetail(1); m_detail->setPos(6.5 * width_, 0.75 * height_); addItem(m_detail); auto* item = new ElementItem(1); item->setPos(0 * width_, 0 * height_); addItem(item); item = new ElementItem(2); item->setPos(17 * width_, 0 * height_); addItem(item); item = new ElementItem(3); item->setPos(0 * width_, 1 * height_); addItem(item); item = new ElementItem(4); item->setPos(1 * width_, 1 * height_); addItem(item); item = new ElementItem(5); item->setPos(12 * width_, 1 * height_); addItem(item); item = new ElementItem(6); item->setPos(13 * width_, 1 * height_); addItem(item); item = new ElementItem(7); item->setPos(14 * width_, 1 * height_); addItem(item); item = new ElementItem(8); item->setPos(15 * width_, 1 * height_); addItem(item); item = new ElementItem(9); item->setPos(16 * width_, 1 * height_); addItem(item); item = new ElementItem(10); item->setPos(17 * width_, 1 * height_); addItem(item); item = new ElementItem(11); item->setPos(0 * width_, 2 * height_); addItem(item); item = new ElementItem(12); item->setPos(1 * width_, 2 * height_); addItem(item); item = new ElementItem(13); item->setPos(12 * width_, 2 * height_); addItem(item); item = new ElementItem(14); item->setPos(13 * width_, 2 * height_); addItem(item); item = new ElementItem(15); item->setPos(14 * width_, 2 * height_); addItem(item); item = new ElementItem(16); item->setPos(15 * width_, 2 * height_); addItem(item); item = new ElementItem(17); item->setPos(16 * width_, 2 * height_); addItem(item); item = new ElementItem(18); item->setPos(17 * width_, 2 * height_); addItem(item); int element = 19; for (int i = 3; i < 5; ++i) { for (int j = 0; j < 18; ++j) { item = new ElementItem(element++); item->setPos(j * width_, i * height_); addItem(item); } } item = new ElementItem(element++); item->setPos(0 * width_, 5 * height_); addItem(item); item = new ElementItem(element++); item->setPos(1 * width_, 5 * height_); addItem(item); element = 71; for (int i = 2; i < 18; ++i) { item = new ElementItem(element++); item->setPos(i * width_, 5 * height_); addItem(item); } item = new ElementItem(element++); item->setPos(0 * width_, 6 * height_); addItem(item); item = new ElementItem(element++); item->setPos(1 * width_, 6 * height_); addItem(item); element = 103; // Goes up to element 118 for (int i = 2; i < 18; ++i) { item = new ElementItem(element++); item->setPos(i * width_, 6 * height_); addItem(item); } // Now for the weird ones at the bottom... element = 57; for (int i = 2; i < 16; ++i) { item = new ElementItem(element++); item->setPos(i * width_, 7.5 * height_); addItem(item); } element = 89; for (int i = 2; i < 16; ++i) { item = new ElementItem(element++); item->setPos(i * width_, 8.5 * height_); addItem(item); } } void PeriodicTableScene::mousePressEvent(QGraphicsSceneMouseEvent* event_) { if (event_->button() != Qt::LeftButton) return; QGraphicsItem* item = QGraphicsScene::itemAt(event_->scenePos(), QTransform()); if (item->data(0).toInt() > 0 && item->data(0).toInt() < 119) { emit(elementChanged(item->data(0).toInt())); m_detail->setElement(item->data(0).toInt()); } QGraphicsScene::mousePressEvent(event_); } void PeriodicTableScene::changeElement(int element) { // Find the item to select foreach (QGraphicsItem* item, items()) { if (item->data(0).toInt() == element) item->setSelected(true); else item->setSelected(false); } // Emit a signal the element changed, and update the detail item. emit(elementChanged(element)); m_detail->setElement(element); } } // End namespace Avogadro avogadrolibs-1.100.0/avogadro/qtgui/periodictablescene_p.h000066400000000000000000000027341474375334400236200ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_PERIODICTABLESCENE_P_H #define AVOGADRO_QTGUI_PERIODICTABLESCENE_P_H #include namespace Avogadro { namespace QtGui { class ElementDetail; /** * @class PeriodicTableScene * @internal * @author Marcus D. Hanwell * @brief This class encapsulates the scene, all items are contained in it. * * This class implements a QGraphicsScene that holds all of the element items. * Any items owned by this class are automatically deleted by it. */ class PeriodicTableScene : public QGraphicsScene { Q_OBJECT public: /** Constructor. */ explicit PeriodicTableScene(QObject* parent = nullptr); signals: /** * This signal is emitted when an element item is clicked. */ void elementChanged(int element); public slots: /** * This slot is called when an element is changed (e.g., by keyboard or code). */ void changeElement(int element); protected: /** * Handles the mouse press events to change the active element. */ void mousePressEvent(QGraphicsSceneMouseEvent* event) override; private: ElementDetail* m_detail; }; } // End namespace QtGui } // End namespace Avogadro #endif // AVOGADRO_QTGUI_PERIODICTABLESCENE_P_H avogadrolibs-1.100.0/avogadro/qtgui/periodictableview.cpp000066400000000000000000000102301474375334400234770ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "periodictableview.h" #include "periodictablescene_p.h" #include #include #include namespace Avogadro::QtGui { using Core::Elements; PeriodicTableView::PeriodicTableView(QWidget* parent_) : QGraphicsView(parent_), m_element(6) // Everyone loves carbon. { // Make the periodic table view a standard dialog. setWindowFlags(Qt::Dialog); auto* table = new PeriodicTableScene; table->setSceneRect(-20, -20, 480, 260); table->setItemIndexMethod(QGraphicsScene::NoIndex); table->setBackgroundBrush(Qt::white); table->changeElement(m_element); setScene(table); setRenderHint(QPainter::Antialiasing); setWindowTitle(tr("Periodic Table")); resize(490, 270); connect(table, SIGNAL(elementChanged(int)), this, SLOT(elementClicked(int))); } PeriodicTableView::~PeriodicTableView() { delete scene(); } void PeriodicTableView::setElement(int element_) { m_element = element_; auto* table = qobject_cast(scene()); if (table) table->changeElement(element_); } void PeriodicTableView::elementClicked(int id) { m_element = id; emit(elementChanged(id)); } void PeriodicTableView::mouseDoubleClickEvent(QMouseEvent*) { close(); } void PeriodicTableView::clearKeyPressBuffer() { m_keyPressBuffer.clear(); } void PeriodicTableView::keyPressEvent(QKeyEvent* event_) { if (m_keyPressBuffer.isEmpty()) { // This is the first character typed. // Wait for 2 seconds, then clear the buffer, // this ensures we can get multi-character elements. QTimer::singleShot(2000, this, SLOT(clearKeyPressBuffer())); } if (event_->key() == Qt::Key_Escape || event_->key() == Qt::Key_Return || event_->key() == Qt::Key_Enter) { close(); return; } // check for arrow keys int elem = m_element; if (event_->key() == Qt::Key_Left) { elem -= 1; } else if (event_->key() == Qt::Key_Right) { elem += 1; } else if (event_->key() == Qt::Key_Up) { // What row are we? if (elem == 3) { // ignore other 2nd row elem = 1; } else if (elem >= 10 && elem <= 20) { elem -= 8; } else if (elem >= 21 && elem <= 30) { // nothing to do, top row of transition metals } else if (elem >= 31 && elem <= 56) { elem -= 18; // go up a row } else if (elem >= 57 && elem <= 70) { // nothing to do, top row of lanthanides } else if (elem >= 71 && elem <= 118) { elem -= 32; // go up a row } } else if (event_->key() == Qt::Key_Down) { // What row are we? if (elem == 1) { elem = 3; } else if (elem == 2) { elem = 10; } else if (elem >= 3 && elem <= 12) { elem += 8; // down one row } else if (elem >= 13 && elem <= 38) { elem += 18; // down one row } else if (elem >= 39 && elem <= 86) { elem += 32; // down one row } else if (elem >= 87 && elem <= 118) { // last row, nothing to do } } else { // This is a normal character. m_keyPressBuffer += event_->text(); // Try setting an element symbol from this string. elem = m_keyPressBuffer.toInt(); if (elem <= 0 || elem > 119) { // Not a valid number, have we tried 2- and 3-character symbols? if (m_keyPressBuffer.length() > 3) { clearKeyPressBuffer(); } else { // try parsing as a symbol .. first character should be uppercase m_keyPressBuffer[0] = m_keyPressBuffer[0].toUpper(); elem = static_cast( Elements::atomicNumberFromSymbol(m_keyPressBuffer.toLatin1().data())); } } } // got a valid symbol if (elem > 0 && elem < 119) setElement(elem); QGraphicsView::keyPressEvent(event_); } void PeriodicTableView::resizeEvent(QResizeEvent* e) { double scale_(double(e->size().width()) / 500.0); QTransform scaleTransform(QTransform::fromScale(scale_, scale_)); setTransform(scaleTransform); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtgui/periodictableview.h000066400000000000000000000044131474375334400231520ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_PERIODICTABLEVIEW_H #define AVOGADRO_QTGUI_PERIODICTABLEVIEW_H #include "avogadroqtguiexport.h" #include namespace Avogadro { namespace QtGui { /** * @class PeriodicTableView periodictableview.h * * @author Marcus D. Hanwell * @brief This class implements the view of the periodic table showing all * elements. * * This is the class that actually draws the widget onto screen. This is * the class that should normally be instantiated in order to display a * Periodic Table. */ class AVOGADROQTGUI_EXPORT PeriodicTableView : public QGraphicsView { Q_OBJECT public: /** * Constructor - constructs a new PeriodicTableView with an internal instance * of PeriodicTableScene. */ explicit PeriodicTableView(QWidget* parent_ = nullptr); ~PeriodicTableView() override; /** * @return The currently selected element. */ int element() const { return m_element; } public slots: /** * @param element_ The currently selected element. */ void setElement(int element_); /** * This slot is called to clear the key buffer (e.g. after a delay in typing). */ void clearKeyPressBuffer(); private slots: /** * Use this slot to change the active element. */ void elementClicked(int element); signals: /** * Signal emitted when the active element in the PeriodicTableView changes. */ void elementChanged(int element); protected: /** * Double click event - select an element and hide the PeriodicTableView. */ void mouseDoubleClickEvent(QMouseEvent* event) override; /** * Handles the keyboard events to change the active element. */ void keyPressEvent(QKeyEvent* event_) override; /** * Handle resize events. */ void resizeEvent(QResizeEvent* event) override; private: /** * Proton number of the active element. */ int m_element; QString m_keyPressBuffer; }; } // End of QtGui namespace } // End of Avogadro namespace #endif avogadrolibs-1.100.0/avogadro/qtgui/persistentatom.h000066400000000000000000000070031474375334400225300ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_PERSISTENTATOM_H #define AVOGADRO_QTGUI_PERSISTENTATOM_H #include namespace Avogadro { namespace QtGui { /** * @class PersistentAtom persistentatom.h * @brief The PersistentAtom object provides a container for a persistent atom * reference that can be held onto. The atom() method gets the underlying atom * using the unique ID mechanism of the molecule. */ template class PersistentAtom { public: typedef Molecule_T MoleculeType; typedef typename Molecule_T::AtomType AtomType; /** * @brief Create a persistent atom, with the specified unique id. * @param m The molecule the persistent atom belongs to. * @param uniqueId The unique identifier for the atom. */ explicit PersistentAtom(MoleculeType* m = nullptr, Index uniqueId = MaxIndex) : m_molecule(m), m_uniqueId(uniqueId) { } /** * @brief Create a persistent atom from a standard atom object. * @param a The atom that a persistent reference should be created for. */ explicit PersistentAtom(const AtomType& a); /** * @brief Set the molecule and unique ID for the persistent object. * @param m The molecule that contains the atom. * @param uniqueId The unique ID of the atom. */ void set(MoleculeType* m, Index uniqueId); /** * @brief Set the persistent atom from a standard atom object. * @param a The atom that a persistent reference should be created for. */ void set(const AtomType& a); /** * @brief Reset the object to an invalid state. */ void reset(); /** * @return True if the persistent atom is valid. */ bool isValid() const; /** * @return The molecule the atom is a part of. */ MoleculeType* molecule() const { return m_molecule; } /** * @brief The persistent unique ID of the atom. * @return The unique ID of the atom. */ Index uniqueIdentifier() const { return m_uniqueId; } /** * @brief Obtain the atom being held by the persistent object. * @return A reference to the atom held by the object. */ AtomType atom() const; private: MoleculeType* m_molecule; Index m_uniqueId; }; template PersistentAtom::PersistentAtom(const AtomType& a) : m_molecule(dynamic_cast(a.molecule())) { m_uniqueId = m_molecule ? m_molecule->atomUniqueId(a) : MaxIndex; } template void PersistentAtom::set(MoleculeType* m, Index uniqueId) { m_molecule = m; m_uniqueId = uniqueId; } template void PersistentAtom::set(const AtomType& a) { m_molecule = dynamic_cast(a.molecule()); m_uniqueId = m_molecule ? m_molecule->atomUniqueId(a) : MaxIndex; } template void PersistentAtom::reset() { set(nullptr, MaxIndex); } template bool PersistentAtom::isValid() const { return atom().isValid(); } template typename Molecule_T::AtomType PersistentAtom::atom() const { return m_molecule ? m_molecule->atomByUniqueId(m_uniqueId) : AtomType(); } } // End of QtGui namespace } // End of Avogadro namespace #endif // AVOGADRO_QTGUI_PERSISTENTATOM_H avogadrolibs-1.100.0/avogadro/qtgui/persistentbond.h000066400000000000000000000070031474375334400225120ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_PERSISTENTBOND_H #define AVOGADRO_QTGUI_PERSISTENTBOND_H #include namespace Avogadro { namespace QtGui { /** * @class PersistentBond persistentbond.h * @brief The PersistentBond object provides a container for a persistent bond * reference that can be held onto. The bond() method gets the underlying bond * using the unique ID mechanism of the molecule. */ template class PersistentBond { public: typedef Molecule_T MoleculeType; typedef typename Molecule_T::BondType BondType; /** * @brief Create a persistent bond, with the specified unique id. * @param m The molecule the persistent bond belongs to. * @param uniqueId The unique identifier for the bond. */ explicit PersistentBond(MoleculeType* m = nullptr, Index uniqueId = MaxIndex) : m_molecule(m), m_uniqueId(uniqueId) { } /** * @brief Create a persistent bond from a standard bond object. * @param b The bond that a persistent reference should be created for. */ explicit PersistentBond(const BondType& b); /** * @brief Set the molecule and unique ID for the persistent object. * @param m The molecule that contains the bond. * @param uniqueId The unique ID of the bond. */ void set(MoleculeType* m, Index uniqueId); /** * @brief Set the persistent bond from a standard bond object. * @param b The bond that a persistent reference should be created for. */ void set(const BondType& b); /** * @brief Reset the object to an invalid state. */ void reset(); /** * @return True if the persistent bond is valid. */ bool isValid() const; /** * @return The molecule the bond is a part of. */ MoleculeType* molecule() const { return m_molecule; } /** * @brief The persistent unique ID of the bond. * @return The unique ID of the bond. */ Index uniqueIdentifier() const { return m_uniqueId; } /** * @brief Obtain the bond being held by the persistent object. * @return A reference to the bond held by the object. */ BondType bond() const; private: MoleculeType* m_molecule; Index m_uniqueId; }; template PersistentBond::PersistentBond(const BondType& b) : m_molecule(dynamic_cast(b.molecule())) { m_uniqueId = m_molecule ? m_molecule->bondUniqueId(b) : MaxIndex; } template void PersistentBond::set(MoleculeType* m, Index uniqueId) { m_molecule = m; m_uniqueId = uniqueId; } template void PersistentBond::set(const BondType& b) { m_molecule = dynamic_cast(b.molecule()); m_uniqueId = m_molecule ? m_molecule->bondUniqueId(b) : MaxIndex; } template void PersistentBond::reset() { set(nullptr, MaxIndex); } template bool PersistentBond::isValid() const { return bond().isValid(); } template typename Molecule_T::BondType PersistentBond::bond() const { return m_molecule ? m_molecule->bondByUniqueId(m_uniqueId) : BondType(); } } // End of QtGui namespace } // End of Avogadro namespace #endif // AVOGADRO_QTGUI_PERSISTENTBOND_H avogadrolibs-1.100.0/avogadro/qtgui/pluginlayermanager.cpp000066400000000000000000000103351474375334400236720ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "pluginlayermanager.h" #include #include #include #include #include namespace Avogadro::QtGui { using std::string; using std::vector; PluginLayerManager::PluginLayerManager(const string& name) : m_name(name) {} PluginLayerManager::~PluginLayerManager() { for (auto& info : m_molToInfo) { auto itEnable = info.second->enable.find(m_name); if (itEnable != info.second->enable.end()) { info.second->enable.erase(itEnable); } auto itSettings = info.second->settings.find(m_name); if (itSettings != info.second->settings.end()) { info.second->settings.erase(itSettings); } } } bool PluginLayerManager::isEnabled() const { if (m_activeMolecule == nullptr || m_molToInfo[m_activeMolecule] == nullptr || m_molToInfo[m_activeMolecule]->enable.find(m_name) == m_molToInfo[m_activeMolecule]->enable.end()) { return false; } for (const auto& b : m_molToInfo[m_activeMolecule]->enable[m_name]) { if (b) { return true; } } return false; } bool PluginLayerManager::isActiveLayerEnabled() const { if (m_activeMolecule == nullptr || m_molToInfo[m_activeMolecule] == nullptr || m_molToInfo[m_activeMolecule]->enable.find(m_name) == m_molToInfo[m_activeMolecule]->enable.end()) { return false; } auto& molecule = m_molToInfo[m_activeMolecule]; size_t active = molecule->layer.activeLayer(); if (active < molecule->enable[m_name].size()) { return molecule->enable[m_name][active]; } return false; } void PluginLayerManager::setEnabled(bool enable) { if (m_activeMolecule == nullptr || m_molToInfo[m_activeMolecule] == nullptr) { return; } auto& molecule = m_molToInfo[m_activeMolecule]; auto it = molecule->enable.find(m_name); if (it == molecule->enable.end()) { molecule->enable[m_name] = vector(); } size_t qttyLayers = molecule->layer.layerCount(); if (molecule->enable[m_name].size() != qttyLayers) { molecule->enable[m_name].resize(qttyLayers, false); } size_t activeLayer = molecule->layer.activeLayer(); molecule->enable[m_name][activeLayer] = enable; } bool PluginLayerManager::atomEnabled(Index atom) const { if (m_activeMolecule == nullptr || m_molToInfo[m_activeMolecule] == nullptr || m_molToInfo[m_activeMolecule]->enable.find(m_name) == m_molToInfo[m_activeMolecule]->enable.end()) { return false; } auto& molecule = m_molToInfo[m_activeMolecule]; size_t layer = molecule->layer.getLayerID(atom); if (layer == MaxIndex) { return false; } return layer < molecule->enable[m_name].size() && molecule->enable[m_name][layer] && molecule->visible[layer]; } size_t PluginLayerManager::getLayerID(Index atom) const { assert(m_activeMolecule != nullptr); auto& molecule = m_molToInfo[m_activeMolecule]; assert(atom < molecule->layer.atomCount()); return molecule->layer.getLayerID(atom); } bool PluginLayerManager::atomEnabled(size_t layerFilter, Index atom) const { bool enabled = atomEnabled(atom); if (!enabled) { return false; } auto& molecule = m_molToInfo[m_activeMolecule]; size_t layer = molecule->layer.getLayerID(atom); return layer == layerFilter; } bool PluginLayerManager::bondEnabled(Index atom1, Index atom2) const { return atomEnabled(atom1) || atomEnabled(atom2); } bool PluginLayerManager::activeLayerLocked() const { assert(m_activeMolecule != nullptr); auto& molecule = m_molToInfo[m_activeMolecule]; size_t active = molecule->layer.activeLayer(); return molecule->locked[active]; } bool PluginLayerManager::atomLocked(size_t atom) const { assert(m_activeMolecule != nullptr); auto& molecule = m_molToInfo[m_activeMolecule]; size_t layer = molecule->layer.getLayerID(atom); return molecule->locked[layer]; } size_t PluginLayerManager::layerCount() const { return LayerManager::layerCount(); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtgui/pluginlayermanager.h000066400000000000000000000063601474375334400233420ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_LAYERMANAGER_H #define AVOGADRO_QTGUI_LAYERMANAGER_H #include "avogadroqtguiexport.h" #include #include #include namespace Avogadro { namespace QtGui { /** * @class PluginLayerManager pluginlayermanager.h * * @brief The PluginLayerManager class is a set of common layer dependent * operators useful for Layer dependent QtPlugins. */ class AVOGADROQTGUI_EXPORT PluginLayerManager : protected Core::LayerManager { public: PluginLayerManager(const std::string& name = "undef"); ~PluginLayerManager(); /** @return if the active layer in the molecule is locked. */ bool activeLayerLocked() const; bool atomLocked(size_t atom) const; /** check if there's existent data in the key and reload it in the custom * class. */ template void load() { if (m_activeMolecule != nullptr) { auto& info = m_molToInfo[m_activeMolecule]; if (info->loaded.find(m_name) == info->loaded.end()) { for (size_t i = 0; i < info->settings[m_name].size(); ++i) { auto serial = info->settings[m_name][i]->getSave(); if (serial != "") { T* aux = new T; aux->deserialize(serial); delete info->settings[m_name][i]; info->settings[m_name][i] = aux; } } info->loaded.insert(m_name); } } } /** @return if the plugin is enabled in any layer */ bool isEnabled() const; /** @return if the plugin is enabled in the active layer */ bool isActiveLayerEnabled() const; /** set active layer @p enable */ void setEnabled(bool enable); /** @return @p atom layer enabled globally and in plugin */ bool atomEnabled(Index atom) const; /** @return @p atom layer enabled globally, in plugin and in @p layer */ bool atomEnabled(size_t layer, Index atom) const; /** @return if @p atom1 or @p atom2 is enabled */ bool bondEnabled(Index atom1, Index atom2) const; /** @return layer id from @p atom */ size_t getLayerID(Index atom) const; /** @return layer count */ size_t layerCount() const; /** @return custom data T derived from LayerData. if @p layer is equal to * MaxIndex returns activeLayer */ template T* getSetting(size_t layer = MaxIndex) { auto info = m_molToInfo[m_activeMolecule]; if (layer == MaxIndex) { layer = info->layer.activeLayer(); } assert(layer <= info->layer.maxLayer()); if (info->settings.find(m_name) == info->settings.end()) { info->settings[m_name] = Core::Array(); } // do we need to create new layers in the array? while (info->settings[m_name].size() < layer + 1) { info->settings[m_name].push_back(new T()); } auto* result = static_cast(info->settings[m_name][layer]); return result; } private: // layer key identifier std::string m_name; }; } // namespace QtGui } // namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/qtgui/pythonscript.cpp000066400000000000000000000205051474375334400225520ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "pythonscript.h" #include "avogadropython.h" #include "utilities.h" #include #include #include #include #include namespace Avogadro::QtGui { PythonScript::PythonScript(const QString& scriptFilePath_, QObject* parent_) : QObject(parent_), m_debug(!qgetenv("AVO_PYTHON_SCRIPT_DEBUG").isEmpty()), m_scriptFilePath(scriptFilePath_), m_process(nullptr) { setDefaultPythonInterpreter(); } PythonScript::PythonScript(QObject* parent_) : QObject(parent_), m_debug(!qgetenv("AVO_PYTHON_SCRIPT_DEBUG").isEmpty()), m_process(nullptr) { setDefaultPythonInterpreter(); } PythonScript::~PythonScript() {} void PythonScript::setScriptFilePath(const QString& scriptFile) { m_scriptFilePath = scriptFile; } void PythonScript::setDefaultPythonInterpreter() { if (m_pythonInterpreter.isEmpty()) { m_pythonInterpreter = QSettings().value(QStringLiteral("interpreters/python")).toString(); } if (m_pythonInterpreter.isEmpty()) // compiled-in default m_pythonInterpreter = pythonInterpreterPath; // check to see if the interpreter exists and is executable QFileInfo info(m_pythonInterpreter); if (!info.isExecutable()) { qWarning() << "Python interpreter" << m_pythonInterpreter << "does not exist trying \"python\" in your path." << "Please set a path to the python interpreter."; // let's try to find a python #ifdef Q_OS_WIN QString python("python.exe"); #else QString python("python3"); #endif QString path = Utilities::findExecutablePath(python); if (path.isEmpty()) { qWarning() << "Can't find python in your path"; } else { // add a "/" to the end path.append('/'); } m_pythonInterpreter = path + python; } } QByteArray PythonScript::execute(const QStringList& args, const QByteArray& scriptStdin) { clearErrors(); QProcess proc; // Merge stdout and stderr proc.setProcessChannelMode(QProcess::MergedChannels); // Add debugging flag if needed. QStringList realArgs(args); if (m_debug) realArgs.prepend(QStringLiteral("--debug")); // Add the global language / locale to *all* calls realArgs.append("--lang"); realArgs.append(QLocale().name()); // Start script realArgs.prepend(m_scriptFilePath); if (m_debug) { qDebug() << "Executing" << m_pythonInterpreter << realArgs.join(QStringLiteral(" ")) << "<" << scriptStdin; } proc.start(m_pythonInterpreter, realArgs); // Write scriptStdin to the process's stdin if (!scriptStdin.isNull()) { if (!proc.waitForStarted(5000) && m_debug) { m_errors << tr("Error running script '%1 %2': Timed out waiting for " "start (%3).") .arg(m_pythonInterpreter, realArgs.join(QStringLiteral(" ")), processErrorString(proc)); return QByteArray(); } qint64 len = proc.write(scriptStdin); if (len != static_cast(scriptStdin.size()) && m_debug) { m_errors << tr("Error running script '%1 %2': failed to write to stdin " "(len=%3, wrote %4 bytes, QProcess error: %5).") .arg(m_pythonInterpreter) .arg(realArgs.join(QStringLiteral(" "))) .arg(scriptStdin.size()) .arg(len) .arg(processErrorString(proc)); return QByteArray(); } proc.closeWriteChannel(); } if (!proc.waitForFinished(5000) && m_debug) { m_errors << tr("Error running script '%1 %2': Timed out waiting for " "finish (%3).") .arg(m_pythonInterpreter, realArgs.join(QStringLiteral(" ")), processErrorString(proc)); return QByteArray(); } if (proc.exitStatus() != QProcess::NormalExit || proc.exitCode() != 0) { if (m_debug) m_errors << tr("Error running script '%1 %2': Abnormal exit status %3 " "(%4: %5)\n\nOutput:\n%6") .arg(m_pythonInterpreter) .arg(realArgs.join(QStringLiteral(" "))) .arg(proc.exitCode()) .arg(processErrorString(proc)) .arg(proc.errorString()) .arg(QString(proc.readAll())); else m_errors << tr("Warning '%1'").arg(proc.errorString()); return QByteArray(); } QByteArray result(proc.readAll()); if (m_debug) qDebug() << "Output:" << result; return result; } void PythonScript::asyncExecute(const QStringList& args, const QByteArray& scriptStdin) { clearErrors(); if (m_process != nullptr) { // bad news m_process->terminate(); disconnect(m_process, SIGNAL(finished()), this, SLOT(processsFinished())); m_process->deleteLater(); } m_process = new QProcess(parent()); // Merge stdout and stderr m_process->setProcessChannelMode(QProcess::MergedChannels); // Add debugging flag if needed. QStringList realArgs(args); if (m_debug) realArgs.prepend(QStringLiteral("--debug")); // Add the global language / locale to *all* calls realArgs.append("--lang"); realArgs.append(QLocale().name()); // Start script realArgs.prepend(m_scriptFilePath); if (m_debug) { qDebug() << "Executing" << m_pythonInterpreter << realArgs.join(QStringLiteral(" ")) << "<" << scriptStdin; } m_process->start(m_pythonInterpreter, realArgs); // Write scriptStdin to the process's stdin if (!scriptStdin.isNull()) { if (!m_process->waitForStarted(5000)) { m_errors << tr("Error running script '%1 %2': Timed out waiting for " "start (%3).") .arg(m_pythonInterpreter, realArgs.join(QStringLiteral(" ")), processErrorString(*m_process)); return; } qint64 len = m_process->write(scriptStdin); if (len != static_cast(scriptStdin.size())) { m_errors << tr("Error running script '%1 %2': failed to write to stdin " "(len=%3, wrote %4 bytes, QProcess error: %5).") .arg(m_pythonInterpreter) .arg(realArgs.join(QStringLiteral(" "))) .arg(scriptStdin.size()) .arg(len) .arg(processErrorString(*m_process)); return; } m_process->closeWriteChannel(); } // let the script run connect(m_process, SIGNAL(finished(int, QProcess::ExitStatus)), this, SLOT(processFinished(int, QProcess::ExitStatus))); } void PythonScript::processFinished(int, QProcess::ExitStatus) { emit finished(); } void PythonScript::asyncTerminate() { if (m_process != nullptr) { disconnect(m_process, nullptr, nullptr, nullptr); m_process->kill(); m_process->deleteLater(); m_process = nullptr; } } QByteArray PythonScript::asyncWriteAndResponse(QByteArray input) { if (m_process == nullptr) { return QByteArray(); // wait } m_process->write(input); QByteArray buffer; bool ready = m_process->waitForReadyRead(); if (ready) { while (m_process->canReadLine()) { buffer += m_process->readLine(); } } return buffer; } QByteArray PythonScript::asyncResponse() { if (m_process == nullptr || m_process->state() == QProcess::Running) { return QByteArray(); // wait } return m_process->readAll(); } QString PythonScript::processErrorString(const QProcess& proc) const { QString result; switch (proc.error()) { case QProcess::FailedToStart: result = tr("Script failed to start."); break; case QProcess::Crashed: result = tr("Script crashed."); break; case QProcess::Timedout: result = tr("Script timed out."); break; case QProcess::ReadError: result = tr("Read error."); break; case QProcess::WriteError: result = tr("Write error."); break; default: case QProcess::UnknownError: result = tr("Unknown error."); break; } return result; } } // namespace Avogadro::QtGui avogadrolibs-1.100.0/avogadro/qtgui/pythonscript.h000066400000000000000000000077641474375334400222330ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_PYTHONSCRIPT_H #define AVOGADRO_QTGUI_PYTHONSCRIPT_H #include "avogadroqtguiexport.h" #include #include #include #include #include #include namespace Avogadro { namespace QtGui { /** * @brief The PythonScript class implements a interface for calling short-lived * python utility scripts. */ class AVOGADROQTGUI_EXPORT PythonScript : public QObject { Q_OBJECT public: /** * Constructors * @param scriptFilePath_ Absolute path to python script. * @{ */ explicit PythonScript(const QString& scriptFilePath_, QObject* parent_ = nullptr); explicit PythonScript(QObject* parent_ = nullptr); /**@}*/ ~PythonScript() override; /** * @return True if debugging of python I/O is enabled. */ bool debug() const { return m_debug; } /** * @return The path to the generator file. */ QString scriptFilePath() const { return m_scriptFilePath; } /** * Set the path to the input generator script file. This will reset any * cached data held by this class. */ void setScriptFilePath(const QString& scriptFile); /** * @return True if an error is set. */ bool hasErrors() const { return !m_errors.isEmpty(); } /** * Reset the error counter. */ void clearErrors() { m_errors.clear(); } /** * @return A QStringList containing all errors that occurred in the last call * to the input generator script. */ QStringList errorList() const { return m_errors; } /** * Reset the python interpretor path. The following are checked, in order: * - The AVO_PYTHON_INTERPRETER environment variable * - The "interpreters/python" QSettings value * - The path specified in avogadropython.h. */ void setDefaultPythonInterpreter(); /** * Start a new process to execute: * " [args ...]", * optionally passing scriptStdin to the processes standard input. Returns * the standard output of the process when finished. */ QByteArray execute(const QStringList& args, const QByteArray& scriptStdin = QByteArray()); /** * Start a new process to execute asynchronously * " [args ...]", * optionally passing scriptStdin to the processes standard input. * * Will send asyncFinished() signal when finished */ void asyncExecute(const QStringList& args, const QByteArray& scriptStdin = QByteArray()); /** * Write input to the asynchronous process' standard input and return the * standard output when ready. Does not wait for the process to terminate * before returning (e.g. "server mode"). * * @param input The input to write to the process' standard input * @return The standard output of the process */ QByteArray asyncWriteAndResponse(QByteArray input); /** * Terminate the asynchronous process. */ void asyncTerminate(); /** * Returns the standard output of the asynchronous process when finished. */ QByteArray asyncResponse(); signals: /** * The asynchronous execution is finished or timed out */ void finished(); public slots: /** * Enable/disable debugging. */ void setDebug(bool d) { m_debug = d; } /** * Handle a finished process; */ void processFinished(int exitCode, QProcess::ExitStatus exitStatus); protected: bool m_debug; QString m_pythonInterpreter; QString m_scriptFilePath; QStringList m_errors; QProcess* m_process; private: QString processErrorString(const QProcess& proc) const; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_PYTHONSCRIPT_H avogadrolibs-1.100.0/avogadro/qtgui/qtgui.qrc000066400000000000000000000063571474375334400211510ustar00rootroot00000000000000 icons/fallback/32x32/cross.png icons/fallback/32x32/dashed-preview.png icons/fallback/32x32/document-export.png icons/fallback/32x32/document-import.png icons/fallback/32x32/document-new.png icons/fallback/32x32/document-open-recent.png icons/fallback/32x32/document-open.png icons/fallback/32x32/document-save-all.png icons/fallback/32x32/document-save-as.png icons/fallback/32x32/document-save.png icons/fallback/32x32/dots.png icons/fallback/32x32/edit-add.png icons/fallback/32x32/edit-copy.png icons/fallback/32x32/edit-cut.png icons/fallback/32x32/edit-paste.png icons/fallback/32x32/edit-delete.png icons/fallback/32x32/help-about.png icons/fallback/64x64/document-export.png icons/fallback/64x64/document-import.png icons/fallback/64x64/document-new.png icons/fallback/64x64/document-open-recent.png icons/fallback/64x64/document-open.png icons/fallback/64x64/document-save-all.png icons/fallback/64x64/document-save-as.png icons/fallback/64x64/document-save.png icons/fallback/64x64/edit-copy.png icons/fallback/64x64/edit-cut.png icons/fallback/64x64/edit-paste.png icons/fallback/64x64/help-about.png icons/fallback/32x32/lock-open.png icons/fallback/32x32/lock.png icons/fallback/32x32/plus.png icons/fallback/32x32/preview.png icons/fallback/index.theme icons/colormap/balance.png icons/colormap/balance@2x.png icons/colormap/bluedarkred.png icons/colormap/bluedarkred@2x.png icons/colormap/cividis.png icons/colormap/cividis@2x.png icons/colormap/coolwarm.png icons/colormap/coolwarm@2x.png icons/colormap/gray.png icons/colormap/gray@2x.png icons/colormap/hot.png icons/colormap/hot@2x.png icons/colormap/inferno.png icons/colormap/inferno@2x.png icons/colormap/magma.png icons/colormap/magma@2x.png icons/colormap/parula.png icons/colormap/parula@2x.png icons/colormap/plasma.png icons/colormap/plasma@2x.png icons/colormap/spectral.png icons/colormap/spectral@2x.png icons/colormap/turbo.png icons/colormap/turbo@2x.png icons/colormap/viridis.png icons/colormap/viridis@2x.png avogadrolibs-1.100.0/avogadro/qtgui/richtextdelegate.cpp000066400000000000000000000033041474375334400233270ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "richtextdelegate.h" #include namespace Avogadro::QtGui { // See for example // https://gist.github.com/jniemann66/dbc298b35a840bf3f1a2206ea6284c7b // and https://stackoverflow.com/a/66412883/131896 RichTextDelegate::RichTextDelegate(QObject* parent_) : QStyledItemDelegate(parent_) {} RichTextDelegate::~RichTextDelegate(){}; QSize RichTextDelegate::sizeHint(const QStyleOptionViewItem& o, const QModelIndex& index) const { if (o.text.isEmpty()) { // This is nothing this function is supposed to handle return QStyledItemDelegate::sizeHint(o, index); } QStyleOptionViewItem ov = o; initStyleOption(&ov, index); QTextDocument doc; doc.setHtml(ov.text); doc.setTextWidth(ov.rect.width()); doc.setDefaultFont(ov.font); return QSize(std::ceil(doc.idealWidth()), std::ceil(doc.size().height())); } void RichTextDelegate::paint(QPainter* p, const QStyleOptionViewItem& o, const QModelIndex& index) const { QStyleOptionViewItem ov = o; initStyleOption(&ov, index); p->save(); QTextDocument doc; doc.setHtml(ov.text); doc.setDefaultFont(ov.font); ov.text = ""; ov.widget->style()->drawControl(QStyle::CE_ItemViewItem, &ov, p); p->translate(ov.rect.left(), ov.rect.top()); QRect clip(0, 0, ov.rect.width(), ov.rect.height()); doc.drawContents(p, clip); p->restore(); } } // namespace Avogadro::QtGui avogadrolibs-1.100.0/avogadro/qtgui/richtextdelegate.h000066400000000000000000000020041474375334400227700ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_RICHTEXTDELEGATE_H #define AVOGADRO_QTPLUGINS_RICHTEXTDELEGATE_H #include #include #include #include "avogadroqtguiexport.h" namespace Avogadro { namespace QtGui { class AVOGADROQTGUI_EXPORT RichTextDelegate : public QStyledItemDelegate { Q_OBJECT public: explicit RichTextDelegate(QObject* parent = 0); ~RichTextDelegate() override; QSize sizeHint(const QStyleOptionViewItem& o, const QModelIndex& index) const override; void paint(QPainter* p, const QStyleOptionViewItem& o, const QModelIndex& index) const override; }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_RICHTEXTDELEGATE_H avogadrolibs-1.100.0/avogadro/qtgui/rwlayermanager.cpp000066400000000000000000000206051474375334400230250ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "rwlayermanager.h" #include "rwmolecule.h" #include #include #include #include #include namespace Avogadro::QtGui { using Core::Array; using Core::LayerData; using Core::MoleculeInfo; using std::map; using std::set; using std::shared_ptr; using std::string; using std::vector; namespace { class AddLayerCommand : public QUndoCommand { public: AddLayerCommand(shared_ptr mol) : QUndoCommand(QObject::tr("Modify Layers")), m_moleculeInfo(mol) { m_visible = true; m_locked = false; const auto activeLayer = m_moleculeInfo->layer.activeLayer(); // we loop through the layers to find enabled settings for the active layer for (const auto& names : m_moleculeInfo->enable) { bool value = names.second[activeLayer]; m_enable[names.first] = value; } // now we do the same thing for settings for (const auto& names : m_moleculeInfo->settings) { auto value = names.second[activeLayer]; m_settings[names.first] = value; } } void redo() override { m_moleculeInfo->visible.push_back(m_visible); m_moleculeInfo->locked.push_back(m_locked); // it's confusing to create an empty layer // .. so we just create a layer that matches the active layer for (const auto& enable : m_enable) { m_moleculeInfo->enable[enable.first].push_back(enable.second); } for (const auto& settings : m_settings) { // create newSettings pointer with the same type as settings.second auto* newSettings = settings.second->clone(); m_moleculeInfo->settings[settings.first].push_back(newSettings); } m_moleculeInfo->layer.addLayer(); } void undo() override { m_visible = m_moleculeInfo->visible.back(); m_locked = m_moleculeInfo->locked.back(); m_moleculeInfo->visible.pop_back(); m_moleculeInfo->locked.pop_back(); size_t qttyLayer = m_moleculeInfo->layer.layerCount(); for (auto& enable : m_moleculeInfo->enable) { if (enable.second.size() == qttyLayer) { m_enable[enable.first] = enable.second[enable.second.size() - 1]; enable.second.pop_back(); } } for (auto& setting : m_moleculeInfo->settings) { if (setting.second.size() == qttyLayer) { m_settings[setting.first] = setting.second[setting.second.size() - 1]; setting.second.pop_back(); } } m_moleculeInfo->layer.removeLayer(m_moleculeInfo->layer.maxLayer()); } protected: shared_ptr m_moleculeInfo; map m_enable; map m_settings; bool m_visible; bool m_locked; }; class ActiveLayerCommand : public QUndoCommand { public: ActiveLayerCommand(shared_ptr mol, size_t layer) : QUndoCommand(QObject::tr("Modify Layers")), m_moleculeInfo(mol), m_newActiveLayer(layer) { m_oldActiveLayer = m_moleculeInfo->layer.activeLayer(); } void redo() override { m_moleculeInfo->layer.setActiveLayer(m_newActiveLayer); } void undo() override { m_moleculeInfo->layer.setActiveLayer(m_oldActiveLayer); } protected: shared_ptr m_moleculeInfo; size_t m_oldActiveLayer; size_t m_newActiveLayer; }; class RemoveLayerCommand : public QUndoCommand { public: RemoveLayerCommand(shared_ptr mol, size_t layer) : QUndoCommand(QObject::tr("Modify Layers")), m_moleculeInfo(mol), m_layer(layer) { } void redo() override { m_visible = m_moleculeInfo->visible[m_layer]; m_moleculeInfo->visible.erase( std::next(m_moleculeInfo->visible.begin(), m_layer)); m_locked = m_moleculeInfo->locked[m_layer]; m_moleculeInfo->locked.erase( std::next(m_moleculeInfo->locked.begin(), m_layer)); for (auto& enable : m_moleculeInfo->enable) { if (m_layer < enable.second.size()) { m_enable[enable.first] = enable.second[m_layer]; enable.second.erase(std::next(enable.second.begin(), m_layer)); } } for (auto& setting : m_moleculeInfo->settings) { if (m_layer < setting.second.size()) { m_settings[setting.first] = setting.second[m_layer]; setting.second.erase(std::next(setting.second.begin(), m_layer)); } } m_moleculeInfo->layer.removeLayer(m_layer); } void undo() override { auto itVisible = m_moleculeInfo->visible.begin() + m_layer; m_moleculeInfo->visible.insert(itVisible, m_visible); auto itLocked = m_moleculeInfo->locked.begin() + m_layer; m_moleculeInfo->locked.insert(itLocked, m_locked); for (const auto& enable : m_enable) { auto itEnable = m_moleculeInfo->enable[enable.first].begin() + m_layer; m_moleculeInfo->enable[enable.first].insert(itEnable, enable.second); } for (const auto& setting : m_settings) { auto itSetting = m_moleculeInfo->settings[setting.first].begin() + m_layer; m_moleculeInfo->settings[setting.first].insert(itSetting, setting.second); } m_moleculeInfo->layer.addLayer(m_layer); } protected: shared_ptr m_moleculeInfo; size_t m_layer; bool m_visible; bool m_locked; map m_settings; map m_enable; }; } // namespace void RWLayerManager::removeLayer(size_t layer, RWMolecule* rwmolecule) { assert(m_activeMolecule != nullptr); assert(rwmolecule != nullptr); rwmolecule->undoStack().beginMacro(QObject::tr("Remove Layer")); auto atoms = rwmolecule->molecule().getAtomsAtLayer(layer); for (const Index& atom : atoms) { rwmolecule->removeAtom(atom); } auto& molecule = m_molToInfo[m_activeMolecule]; auto* comm = new RemoveLayerCommand(molecule, layer); comm->setText(QObject::tr("Remove Layer Info")); rwmolecule->undoStack().push(comm); rwmolecule->undoStack().endMacro(); } void RWLayerManager::addLayer(RWMolecule* rwmolecule) { assert(m_activeMolecule != nullptr); assert(rwmolecule != nullptr); rwmolecule->undoStack().beginMacro(QObject::tr("Add Layer")); auto& molecule = m_molToInfo[m_activeMolecule]; auto* comm = new AddLayerCommand(molecule); comm->setText(QObject::tr("Add Layer Info")); rwmolecule->undoStack().push(comm); rwmolecule->undoStack().endMacro(); } void RWLayerManager::setActiveLayer(size_t layer, RWMolecule* rwmolecule) { rwmolecule->undoStack().beginMacro(QObject::tr("Change Layer")); auto& molecule = m_molToInfo[m_activeMolecule]; auto* comm = new ActiveLayerCommand(molecule, layer); comm->setText(QObject::tr("Change Layer")); rwmolecule->undoStack().push(comm); rwmolecule->undoStack().endMacro(); } bool RWLayerManager::visible(size_t layer) const { return m_molToInfo[m_activeMolecule]->visible[layer]; } bool RWLayerManager::locked(size_t layer) const { return m_molToInfo[m_activeMolecule]->locked[layer]; } void RWLayerManager::flipVisible(size_t layer) { auto& molecule = m_molToInfo[m_activeMolecule]; molecule->visible[layer] = !molecule->visible[layer]; } void RWLayerManager::flipLocked(size_t layer) { auto& molecule = m_molToInfo[m_activeMolecule]; molecule->locked[layer] = !molecule->locked[layer]; } void RWLayerManager::addMolecule(const Core::Molecule* mol) { m_activeMolecule = mol; auto it = m_molToInfo.find(mol); if (it == m_molToInfo.end()) { m_molToInfo[mol] = std::make_shared(mol); } } Array> RWLayerManager::activeMoleculeNames() const { if (m_activeMolecule == nullptr || m_molToInfo[m_activeMolecule] == nullptr) { return Array>(); } auto& molecule = m_molToInfo[m_activeMolecule]; size_t qttyLayer = molecule->layer.layerCount(); vector> active(qttyLayer, set()); for (const auto& names : molecule->enable) { for (size_t i = 0; i < names.second.size(); ++i) { if (names.second[i]) { active[i].insert(names.first); } } } Array> result; size_t layer = 0; for (const auto& names : active) { result.push_back(std::make_pair(layer, "Layer")); for (const auto& name : names) { result.push_back(std::make_pair(layer, name)); } ++layer; } return result; } } // namespace Avogadro::QtGui avogadrolibs-1.100.0/avogadro/qtgui/rwlayermanager.h000066400000000000000000000030731474375334400224720ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_RWLAYERMANAGER_H #define AVOGADRO_QTGUI_RWLAYERMANAGER_H #include "avogadroqtguiexport.h" #include #include namespace Avogadro { namespace Core { class Molecule; } namespace QtGui { class RWMolecule; /** * @class RWLayerManager rwlayermanager.h * @brief The RWLayerManager do and undo for layer actions. */ class AVOGADROQTGUI_EXPORT RWLayerManager : protected Core::LayerManager { public: void removeLayer(size_t layer, RWMolecule* rwmolecule); void addLayer(RWMolecule* rwmolecule); void setActiveLayer(size_t layer, RWMolecule* rwmolecule); /** @return if @p layer is visible */ bool visible(size_t layer) const; protected: /** @return if @p layer is locked */ bool locked(size_t layer) const; /** flip the visible value in layer */ void flipVisible(size_t layer); /** flip the locked value in layer */ void flipLocked(size_t layer); /** set mol as active molecule and add it if not exist */ void addMolecule(const Core::Molecule* mol); /** @return a sorted array by layer ID, containing the ID and the key name */ Core::Array> activeMoleculeNames() const; }; } // namespace QtGui } // namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/qtgui/rwmolecule.cpp000066400000000000000000000522751474375334400221730ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "rwmolecule.h" #include "rwmolecule_undo.h" #include #include #ifdef USE_SPGLIB #include #endif #include #include namespace Avogadro::QtGui { using Core::Array; using Core::AtomHybridization; using Core::CrystalTools; using Core::UnitCell; using std::swap; RWMolecule::RWMolecule(Molecule& mol, QObject* p) : QObject(p), m_molecule(mol), m_interactive(false) { } RWMolecule::~RWMolecule() {} RWMolecule::AtomType RWMolecule::addAtom(unsigned char num, bool usingPositions) { auto atomId = static_cast(m_molecule.atomCount()); auto atomUid = static_cast(m_molecule.m_atomUniqueIds.size()); auto* comm = new AddAtomCommand(*this, num, usingPositions, atomId, atomUid); comm->setText(tr("Add Atom")); m_undoStack.push(comm); return AtomType(this, atomId); } RWMolecule::AtomType RWMolecule::addAtom(unsigned char num, const Vector3& position3d) { // We will combine the actions in this command. m_undoStack.beginMacro(tr("Add Atom")); AtomType atom = addAtom(num); setAtomPosition3d(atomCount() - 1, position3d); m_undoStack.endMacro(); return atom; } Index RWMolecule::atomCount(unsigned char num) const { return m_molecule.atomCount(num); } bool RWMolecule::removeAtom(Index atomId) { if (atomId >= atomCount()) return false; Index uniqueId = findAtomUniqueId(atomId); if (uniqueId == MaxIndex) return false; // Lump all operations into a single undo command: m_undoStack.beginMacro(tr("Remove Atom")); // Remove any bonds containing this atom first. Array atomBonds = bonds(atomId); while (atomBonds.size()) { // Ensure that indices aren't invalidated as we remove them: assert("atomBonds have ascending indices" && (atomBonds.size() == 1 || ((atomBonds.end() - 2)->index() < (atomBonds.end() - 1)->index()))); removeBond(atomBonds.back()); atomBonds.pop_back(); } auto* comm = new RemoveAtomCommand( *this, atomId, uniqueId, atomicNumber(atomId), atomPosition3d(atomId)); comm->setText(tr("Remove Atom")); m_undoStack.push(comm); m_undoStack.endMacro(); return true; } void RWMolecule::clearAtoms() { m_undoStack.beginMacro(tr("Clear Atoms")); while (atomCount() != 0) removeAtom(0); m_undoStack.endMacro(); } void RWMolecule::adjustHydrogens(Index atomId) { RWAtom atom = this->atom(atomId); if (atom.isValid()) { m_undoStack.beginMacro(tr("Adjust Hydrogens")); QtGui::HydrogenTools::adjustHydrogens(atom); m_undoStack.endMacro(); } } void RWMolecule::adjustHydrogens(const Core::Array& atomIds) { m_undoStack.beginMacro(tr("Adjust Hydrogens")); // convert the indexes to unique ids // since we're adding and removing atoms // (so the index will change) Core::Array uniqueIds; for (auto id : atomIds) { Index uniqueId = findAtomUniqueId(id); if (uniqueId != MaxIndex) uniqueIds.push_back(uniqueId); } for (auto uniqueId : uniqueIds) { RWAtom atom = this->atomByUniqueId(uniqueId); if (atom.isValid()) { QtGui::HydrogenTools::adjustHydrogens(atom); } } m_undoStack.endMacro(); } bool RWMolecule::setAtomicNumbers(const Core::Array& nums) { if (nums.size() != m_molecule.atomCount()) return false; auto* comm = new SetAtomicNumbersCommand(*this, m_molecule.atomicNumbers(), nums); comm->setText(tr("Change Elements")); m_undoStack.push(comm); return true; } bool RWMolecule::setAtomicNumber(Index atomId, unsigned char num) { if (atomId >= atomCount()) return false; auto* comm = new SetAtomicNumberCommand(*this, atomId, m_molecule.atomicNumber(atomId), num); comm->setText(tr("Change Element")); m_undoStack.push(comm); return true; } bool RWMolecule::setAtomPositions3d(const Core::Array& pos, const QString& undoText) { if (pos.size() != m_molecule.atomCount()) return false; auto* comm = new SetPositions3dCommand(*this, m_molecule.m_positions3d, pos); comm->setText(undoText); comm->setCanMerge(m_interactive); m_undoStack.push(comm); return true; } bool RWMolecule::setAtomLabel(Index atomId, const std::string& label, const QString& undoText) { if (atomId >= atomCount()) return false; auto* comm = new ModifyAtomLabelCommand(*this, atomId, label); comm->setText(undoText); m_undoStack.push(comm); return true; } bool RWMolecule::setBondLabel(Index bondId, const std::string& label, const QString& undoText) { if (bondId >= bondCount()) return false; auto* comm = new ModifyBondLabelCommand(*this, bondId, label); comm->setText(undoText); m_undoStack.push(comm); return true; } bool RWMolecule::setAtomPosition3d(Index atomId, const Vector3& pos, const QString& undoText) { if (atomId >= atomCount()) return false; if (m_molecule.m_positions3d.size() != m_molecule.atomCount()) m_molecule.m_positions3d.resize(m_molecule.atomCount(), Vector3::Zero()); auto* comm = new SetPosition3dCommand(*this, atomId, m_molecule.m_positions3d[atomId], pos); comm->setText(undoText); comm->setCanMerge(m_interactive); m_undoStack.push(comm); return true; } void RWMolecule::setAtomSelected(Index atomId, bool selected, const QString& undoText) { auto* comm = new ModifySelectionCommand(*this, atomId, selected); comm->setText(undoText); comm->setCanMerge(true); m_undoStack.push(comm); // m_molecule.setAtomSelected(atomId, selected); } bool RWMolecule::atomSelected(Index atomId) const { return m_molecule.atomSelected(atomId); } bool RWMolecule::setHybridization(Index atomId, Core::AtomHybridization hyb) { if (atomId >= atomCount()) return false; auto* comm = new SetAtomicNumberCommand( *this, atomId, m_molecule.hybridization(atomId), hyb); comm->setText(tr("Change Atom Hybridization")); m_undoStack.push(comm); return true; } bool RWMolecule::setFormalCharge(Index atomId, signed char charge) { if (atomId >= atomCount()) return false; auto* comm = new SetAtomFormalChargeCommand( *this, atomId, m_molecule.formalCharge(atomId), charge); comm->setText(tr("Change Atom Formal Charge")); m_undoStack.push(comm); return true; } bool RWMolecule::setColor(Index atomId, Vector3ub color) { if (atomId >= atomCount()) return false; auto* comm = new SetAtomColorCommand(*this, atomId, m_molecule.color(atomId), color); comm->setText(tr("Change Atom Color")); m_undoStack.push(comm); return true; } bool RWMolecule::setLayer(Index atomId, size_t layer) { if (atomId >= atomCount()) return false; auto* comm = new SetLayerCommand(*this, atomId, m_molecule.layer(atomId), layer); comm->setText(tr("Change Atom Layer")); m_undoStack.push(comm); return true; } RWMolecule::BondType RWMolecule::addBond(Index atom1, Index atom2, unsigned char order) { if (atom1 == atom2 || std::max(atom1, atom2) >= atomCount()) return BondType(); Index bondId = bondCount(); auto bondUid = static_cast(m_molecule.m_bondUniqueIds.size()); auto* comm = new AddBondCommand( *this, order, Molecule::makeBondPair(atom1, atom2), bondId, bondUid); comm->setText(tr("Add Bond")); m_undoStack.push(comm); return BondType(this, bondId); } RWMolecule::BondType RWMolecule::bond(Index atom1, Index atom2) const { Molecule::BondType b = m_molecule.bond(atom1, atom2); if (b.isValid()) return BondType(const_cast(this), b.index()); else return BondType(); } bool RWMolecule::removeBond(Index bondId) { if (bondId >= bondCount()) return false; Index bondUid = findBondUniqueId(bondId); if (bondUid == MaxIndex) return false; auto* comm = new RemoveBondCommand(*this, bondId, bondUid, m_molecule.bondPair(bondId), m_molecule.bondOrder(bondId)); comm->setText(tr("Removed Bond")); m_undoStack.push(comm); return true; } void RWMolecule::clearBonds() { m_undoStack.beginMacro(tr("Clear Bonds")); while (bondCount() != 0) removeBond(0); m_undoStack.endMacro(); } bool RWMolecule::setBondOrders(const Core::Array& orders) { if (orders.size() != m_molecule.bondCount()) return false; auto* comm = new SetBondOrdersCommand(*this, m_molecule.bondOrders(), orders); comm->setText(tr("Set Bond Orders")); m_undoStack.push(comm); return true; } bool RWMolecule::setBondOrder(Index bondId, unsigned char order) { if (bondId >= bondCount()) return false; auto* comm = new SetBondOrderCommand(*this, bondId, m_molecule.bondOrder(bondId), order); comm->setText(tr("Change Bond Order")); // Always allow merging, but only if bondId is the same. comm->setCanMerge(true); m_undoStack.push(comm); return true; } bool RWMolecule::setBondPairs(const Array>& pairs) { if (pairs.size() != m_molecule.bondCount()) return false; // Correct any pairs that are ordered improperly: typedef std::pair BondPair; Array p(pairs); // Use for reading to prevent copies unless needed (Array is copy-on-write): const Array& p_const = p; for (size_t i = 0; i < p.size(); ++i) if (p_const[i].first > p_const[i].second) swap(p[i].first, p[i].second); auto* comm = new SetBondPairsCommand(*this, m_molecule.bondPairs(), p); comm->setText(tr("Update Bonds")); m_undoStack.push(comm); return true; } bool RWMolecule::setBondPair(Index bondId, const std::pair& pair) { if (bondId >= bondCount() || pair.first == pair.second) return false; SetBondPairCommand* comm = nullptr; if (pair.first < pair.second) { comm = new SetBondPairCommand(*this, bondId, m_molecule.bondPair(bondId), pair); } else { comm = new SetBondPairCommand(*this, bondId, m_molecule.bondPair(bondId), Molecule::makeBondPair(pair.first, pair.second)); } comm->setText(tr("Update Bond")); m_undoStack.push(comm); return true; } void RWMolecule::addUnitCell() { // If there is already a unit cell, there is nothing to do if (m_molecule.unitCell()) return; auto* cell = new UnitCell; cell->setCellParameters( static_cast(3.0), static_cast(3.0), static_cast(3.0), static_cast(90.0) * DEG_TO_RAD, static_cast(90.0) * DEG_TO_RAD, static_cast(90.0) * DEG_TO_RAD); m_molecule.setUnitCell(cell); auto* comm = new AddUnitCellCommand(*this, *m_molecule.unitCell()); comm->setText(tr("Add Unit Cell…")); m_undoStack.push(comm); emitChanged(Molecule::UnitCell | Molecule::Added); } void RWMolecule::removeUnitCell() { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return; auto* comm = new RemoveUnitCellCommand(*this, *m_molecule.unitCell()); comm->setText(tr("Remove Unit Cell")); m_undoStack.push(comm); m_molecule.setUnitCell(nullptr); emitChanged(Molecule::UnitCell | Molecule::Removed); } void RWMolecule::modifyMolecule(const Molecule& newMolecule, Molecule::MoleculeChanges changes, const QString& undoText) { auto* comm = new ModifyMoleculeCommand(*this, m_molecule, newMolecule); comm->setText(undoText); m_undoStack.push(comm); m_molecule = newMolecule; emitChanged(changes); } void RWMolecule::appendMolecule(const Molecule& mol, const QString& undoText) { // We add atoms and bonds, nothing else Molecule::MoleculeChanges changes = (Molecule::Atoms | Molecule::Bonds | Molecule::Added); beginMergeMode(undoText); // loop through and add the atoms Index offset = atomCount(); for (size_t i = 0; i < mol.atomCount(); ++i) { Core::Atom atom = mol.atom(i); AtomType new_atom = addAtom(atom.atomicNumber(), atom.position3d()); new_atom.setFormalCharge(atom.formalCharge()); setAtomSelected(atomCount() - 1, true); } // now loop through and add the bonds for (size_t i = 0; i < mol.bondCount(); ++i) { Core::Bond bond = mol.bond(i); addBond(bond.atom1().index() + offset, bond.atom2().index() + offset, bond.order()); } endMergeMode(); emitChanged(changes); } void RWMolecule::editUnitCell(Matrix3 cellMatrix, CrystalTools::Options options) { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return; // Make a copy of the molecule to edit so we can store the old one // If the user has "TransformAtoms" set in the options, then // the atom positions will move as well. Molecule newMolecule = m_molecule; CrystalTools::setCellMatrix(newMolecule, cellMatrix, options); // We will just modify the whole molecule since there may be many changes Molecule::MoleculeChanges changes = Molecule::UnitCell | Molecule::Modified; // If TransformAtoms is set in the options, then the atoms may be modified // as well. if (options & CrystalTools::TransformAtoms) changes |= Molecule::Atoms | Molecule::Modified; QString undoText = tr("Edit Unit Cell"); modifyMolecule(newMolecule, changes, undoText); } void RWMolecule::wrapAtomsToCell() { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return; Core::Array oldPos = m_molecule.atomPositions3d(); CrystalTools::wrapAtomsToUnitCell(m_molecule); Core::Array newPos = m_molecule.atomPositions3d(); auto* comm = new SetPositions3dCommand(*this, oldPos, newPos); comm->setText(tr("Wrap Atoms to Cell")); m_undoStack.push(comm); Molecule::MoleculeChanges changes = Molecule::Atoms | Molecule::Modified; emitChanged(changes); } void RWMolecule::setCellVolume(double newVolume, CrystalTools::Options options) { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return; // Make a copy of the molecule to edit so we can store the old one // The unit cell and atom positions may change Molecule newMolecule = m_molecule; CrystalTools::setVolume(newMolecule, newVolume, options); // We will just modify the whole molecule since there may be many changes Molecule::MoleculeChanges changes = Molecule::UnitCell | Molecule::Modified; if (options & CrystalTools::TransformAtoms) changes |= Molecule::Atoms | Molecule::Modified; QString undoText = tr("Scale Cell Volume"); modifyMolecule(newMolecule, changes, undoText); } void RWMolecule::buildSupercell(unsigned int a, unsigned int b, unsigned int c) { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return; // Make a copy of the molecule to edit so we can store the old one // The unit cell and atom positions may change Molecule newMolecule = m_molecule; CrystalTools::buildSupercell(newMolecule, a, b, c); // We will just modify the whole molecule since there may be many changes Molecule::MoleculeChanges changes = Molecule::UnitCell | Molecule::Modified | Molecule::Atoms | Molecule::Added; QString undoText = tr("Build Super Cell"); modifyMolecule(newMolecule, changes, undoText); } void RWMolecule::niggliReduceCell() { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return; // Make a copy of the molecule to edit so we can store the old one // The unit cell and atom positions may change Molecule newMolecule = m_molecule; // We need to perform all three of these operations... CrystalTools::niggliReduce(newMolecule, CrystalTools::TransformAtoms); CrystalTools::rotateToStandardOrientation(newMolecule, CrystalTools::TransformAtoms); CrystalTools::wrapAtomsToUnitCell(newMolecule); // We will just modify the whole molecule since there may be many changes Molecule::MoleculeChanges changes = Molecule::UnitCell | Molecule::Atoms | Molecule::Modified; QString undoText = tr("Niggli Reduction"); modifyMolecule(newMolecule, changes, undoText); } void RWMolecule::rotateCellToStandardOrientation() { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return; // Store a copy of the old molecule // The atom positions may move as well. Molecule newMolecule = m_molecule; CrystalTools::rotateToStandardOrientation(newMolecule, CrystalTools::TransformAtoms); // Since most components of the molecule will be modified (atom positions // and the unit cell), we will just modify the whole thing... Molecule::MoleculeChanges changes = Molecule::UnitCell | Molecule::Atoms | Molecule::Modified; QString undoText = tr("Rotate to Standard Orientation"); modifyMolecule(newMolecule, changes, undoText); } bool RWMolecule::reduceCellToPrimitive(double cartTol) { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return false; // Make a copy of the molecule to edit so we can store the old one // The unit cell, atom positions, and numbers of atoms may change Molecule newMolecule = m_molecule; #ifdef USE_SPGLIB if (!Core::AvoSpglib::reduceToPrimitive(newMolecule, cartTol)) return false; #else return false; #endif // Since most components of the molecule will be modified, // we will just modify the whole thing... Molecule::MoleculeChanges changes = Molecule::UnitCell | Molecule::Atoms | Molecule::Added; QString undoText = tr("Reduce to Primitive"); modifyMolecule(newMolecule, changes, undoText); return true; } bool RWMolecule::conventionalizeCell(double cartTol) { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return false; // Make a copy of the molecule to edit so we can store the old one // The unit cell, atom positions, and numbers of atoms may all change Molecule newMolecule = m_molecule; #ifdef USE_SPGLIB if (!Core::AvoSpglib::conventionalizeCell(newMolecule, cartTol)) return false; #else return false; #endif Molecule::MoleculeChanges changes = Molecule::UnitCell | Molecule::Atoms | Molecule::Added; QString undoText = tr("Conventionalize Cell"); modifyMolecule(newMolecule, changes, undoText); return true; } bool RWMolecule::symmetrizeCell(double cartTol) { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return false; // Make a copy of the molecule to edit so we can store the old one // The unit cell, atom positions, and numbers of atoms may all change Molecule newMolecule = m_molecule; #ifdef USE_SPGLIB if (!Core::AvoSpglib::symmetrize(newMolecule, cartTol)) return false; #else return false; #endif Molecule::MoleculeChanges changes = Molecule::UnitCell | Molecule::Atoms | Molecule::Added; QString undoText = tr("Symmetrize Cell"); modifyMolecule(newMolecule, changes, undoText); return true; } bool RWMolecule::fillUnitCell(unsigned short hallNumber, double cartTol) { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return false; // Make a copy of the molecule to edit so we can store the old one // The atom positions and numbers of atoms may change Molecule newMolecule = m_molecule; Core::SpaceGroups::fillUnitCell(newMolecule, hallNumber, cartTol); Molecule::MoleculeChanges changes = Molecule::Added | Molecule::Atoms; QString undoText = tr("Fill Unit Cell"); modifyMolecule(newMolecule, changes, undoText); return true; } bool RWMolecule::reduceCellToAsymmetricUnit(unsigned short hallNumber, double cartTol) { // If there is no unit cell, there is nothing to do if (!m_molecule.unitCell()) return false; // Make a copy of the molecule to edit so we can store the old one // The atom positions and numbers of atoms may change Molecule newMolecule = m_molecule; Core::SpaceGroups::reduceToAsymmetricUnit(newMolecule, hallNumber, cartTol); Molecule::MoleculeChanges changes = Molecule::Removed | Molecule::Atoms; QString undoText = tr("Reduce Cell to Asymmetric Unit"); modifyMolecule(newMolecule, changes, undoText); return true; } void RWMolecule::emitChanged(unsigned int change) { m_molecule.emitChanged(change); } Index RWMolecule::findAtomUniqueId(Index atomId) const { return m_molecule.findAtomUniqueId(atomId); } Index RWMolecule::findBondUniqueId(Index bondId) const { return m_molecule.findBondUniqueId(bondId); } bool RWMolecule::setForceVector(Index atomId, const Vector3& forces, const QString& undoText) { if (atomId >= atomCount()) return false; if (m_molecule.m_positions3d.size() != m_molecule.atomCount()) m_molecule.m_positions3d.resize(m_molecule.atomCount(), Vector3::Zero()); auto* comm = new SetForceVectorCommand( *this, atomId, m_molecule.m_positions3d[atomId], forces); comm->setText(undoText); comm->setCanMerge(m_interactive); m_undoStack.push(comm); return true; } } // namespace Avogadro::QtGui avogadrolibs-1.100.0/avogadro/qtgui/rwmolecule.h000066400000000000000000000705211474375334400216320ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_RWMOLECULE_H #define AVOGADRO_QTGUI_RWMOLECULE_H #include "avogadroqtguiexport.h" #include #include "molecule.h" //qtgui::Molecule #include "persistentatom.h" #include "persistentbond.h" #include #include #include #include #include #include #include #include namespace Avogadro { namespace QtGui { /** Concrete atom/bond proxy classes for RWMolecule. @{ */ class RWAtom; class RWBond; /** @} */ /** * @class RWMolecule rwmolecule.h * @brief The RWMolecule class is an editable molecule class that automatically * populates an undo stack. * * This class implements the molecule API and composes a QUndoStack * (undoStack()). New undo commands are automatically generated and push each * time a non-const method is called. * * An interactive mode is supported that causes "noisy" commands, such as * atom position changes, to be merged into a single command, saving memory * keeping the stack usable during interactive editing of the molecule. Use * setInteractive(bool) to toggle interactive mode. * * Similarly, multiple sequences of commands can be compressed into a single * named action using the QUndoStack's macro capability. Call * undoStack().beginMacro(tr("User Description Of Change")) to begin a macro, * and undoStack().endMacro() when finished. */ class AVOGADROQTGUI_EXPORT RWMolecule : public QObject { Q_OBJECT public: /** Typedef for Atom class. */ typedef RWAtom AtomType; /** Typedef for PersistentAtom class. */ typedef PersistentAtom PersistentAtomType; /** Typedef for Bond class. */ typedef RWBond BondType; /** Typedef for PersistentBond class. */ typedef PersistentBond PersistentBondType; /** Construct a molecule with the atoms/bonds of mol. */ explicit RWMolecule(Molecule& mol, QObject* parent = nullptr); ~RWMolecule() override; Molecule& molecule() { return m_molecule; } const Molecule& molecule() const { return m_molecule; } /** * Add a new atom to the molecule. * @param atomicNumber The atomic number of the new atom. * @param usingPositions Whether or not to use positions for this atom. * Default is true. Set to false if the atom * will not be using coordinates. * @return The new Atom object. */ AtomType addAtom(unsigned char atomicNumber, bool usingPositions = true); /** * Add a new atom to the molecule and set its position. * @param atomicNumber The atomic number of the new atom. * @param position3d The position of the atom. * @return The new Atom object. */ AtomType addAtom(unsigned char atomicNumber, const Vector3& position3d); /** * Obtain an atom object. * @param atomId The index of the atom to return. * @return The requested atom object. Will be invalid if @a atomId >= @a * atomCount(). */ AtomType atom(Index atomId) const; /** * Obtain an atom object from it's unique id. * @param atomUId The unique of the requested atom. * @return The requested atom object. Will be invalid if @a atomUId is not * in use. */ AtomType atomByUniqueId(Index atomUId) const; /** * @return The unique id of the atom. * @{ */ Index atomUniqueId(Index atomId) const; Index atomUniqueId(const AtomType& atom) const; /** @} */ /** * @return The number of atoms in the molecule. */ Index atomCount() const; /** * @return The number of atoms in the molecule with the atomic number @a * atomicNumber. */ Index atomCount(unsigned char atomicNumber) const; /** * Delete the specified atom from this molecule. * @return True on success, false otherwise. * @note This also removes all bonds connected to the atom. * @{ */ bool removeAtom(Index atomId); bool removeAtom(const AtomType& atom); /** @} */ /** * Delete all atoms from this molecule. * @note This also removes all bonds. */ void clearAtoms(); /** * Adjust hydrogens for an atom. * @param atomId The index of the atom. * @note Checks to make sure the atom is valid before adjusting the hydrogens. */ void adjustHydrogens(Index atomId); /** * Adjust hydrogens for multiple atoms. * @param atomIds The indices for the atoms. * @note Checks to make sure the atoms are valid before adjusting the * hydrogens. */ void adjustHydrogens(const Core::Array& atomIds); /** * @return An array containing atomic numbers for all atoms in the molecule, * indexed by atom index. */ const Core::Array& atomicNumbers() const; /** * Get the atomic number for the requested atom. * @param atomId The index of the atom. * @return The atomic number of the atom indexed at @a atomId, or * Avogadro::InvalidElement if @a atomId is invalid. */ unsigned char atomicNumber(Index atomId) const; /** * Replace the current array of atomic numbers. * @param nums The new atomic number array. Must be of length atomCount(). * @return True on success, false otherwise. */ bool setAtomicNumbers(const Core::Array& nums); /** * Set the atomic number of a single atom. * @param atomId The index of the atom to modify. * @param atomicNumber The new atomic number. * @return True on success, false otherwise. */ bool setAtomicNumber(Index atomId, unsigned char atomicNumber); /** * @return An array containing 3D coordinates for all atoms in the molecule, * indexed by atom index. * @note May be empty if position information has not been set for any atoms. */ const Core::Array& atomPositions3d() const; /** * Get the 3D position of a single atom. * @param atomId The index of the atom. * @return The position of the atom, or Vector3::Zero() if no position * information has been set. */ Vector3 atomPosition3d(Index atomId) const; /** * Replace the current array of 3D atomic coordinates. * @param pos The new coordinate array. Must be of length atomCount(). * @param undoText The undo text to be displayed for undo commands. * @return True on success, false otherwise. */ bool setAtomPositions3d( const Core::Array& pos, const QString& undoText = tr("Change Atom Positions")); /** * Set the 3D position of a single atom. * @param atomId The index of the atom to modify. * @param pos The new position of the atom. * @param undoText The undo text to be displayed for undo commands. * @return True on success, false otherwise. */ bool setAtomPosition3d(Index atomId, const Vector3& pos, const QString& undoText = tr("Change Atom Position")); /** * Get the label on an atom. * @param atomId The index of the atom. * @return The label of the atom indexed at @a atomId, or an empty string if * @a atomId is invalid or has no label. */ std::string atomLabel(Index atomId) const; /** * Set the label of a single atom. * @param atomId The index of the atom to modify. * @param label The new label. * @param undoText The undo text to be displayed for undo commands. * @return True on success, false otherwise. */ bool setAtomLabel(Index atomId, const std::string& label, const QString& undoText = tr("Change Atom Label")); /** * Get the label on a bond * @param bondId The index of the bond. * @return The label of the bond indexed at @a bondId, or an empty string if * @a bondId is invalid or has no label. */ std::string bondLabel(Index bondId) const; /** * Set the label of a single bond. * @param bondId The index of the bond to modify. * @param label The new label. * @param undoText The undo text to be displayed for undo commands. * @return True on success, false otherwise. */ bool setBondLabel(Index bondId, const std::string& label, const QString& undoText = tr("Change Bond Label")); /** * Set whether the specified atom is selected or not. */ void setAtomSelected(Index atomId, bool selected, const QString& undoText = tr("Change Selection")); /** * Query whether the supplied atom index has been selected. */ bool atomSelected(Index atomId) const; bool setAtomPosition2d(Index, const Vector2&) { return false; } Vector2 atomPosition2d(Index) { return Vector2(0, 0); } const Core::Array& atomPositions2d() const { return m_molecule.m_positions2d; } /** * Get the hybridization for the requested atom. * @param atomId The index of the atom. * @return The hybridization of the atom indexed at @a atomId, or * 0 if @a atomId is invalid. */ Core::AtomHybridization hybridization(Index atomId) const; /** * Set the hybridization of a single atom. * @param atomId The index of the atom to modify. * @param hyb The new hybridization. * @return True on success, false otherwise. */ bool setHybridization(Index atomId, Core::AtomHybridization hyb); /** * Get the formal charge for the requested atom. * @param atomId The index of the atom. * @return The formal charge of the atom indexed at @a atomId, or * 0 if @a atomId is invalid. */ signed char formalCharge(Index atomId) const; /** * Set the formal charge of a single atom. * @param atomId The index of the atom to modify. * @param charge The new formal charge. * @return True on success, false otherwise. */ bool setFormalCharge(Index atomId, signed char charge); /** * Get the color for the requested atom. * @param atomId The index of the atom. * @return The color of the atom indexed at @a atomId, or * (0, 0, 0) if @a atomId is invalid. If no color is set for the * given atomId, the default color for the atomic number of * the atomId is returned. */ Vector3ub color(Index atomId) const; /** * Set the color of a single atom. * @param atomId The index of the atom to modify. * @param color The new color. * @return True on success, false otherwise. */ bool setColor(Index atomId, Vector3ub color); bool setLayer(Index atomId, size_t layer); size_t layer(Index atomId) const; /** * Create a new bond in the molecule. * @param atom1 The first atom in the bond. * @param atom2 The second order in the bond. * @param order The bond order. * @return The new bond object. Will be invalid if @a atom1 or @a atom2 does * not exist. * @{ */ BondType addBond(Index atom1, Index atom2, unsigned char order = 1); BondType addBond(const AtomType& atom1, const AtomType& atom2, unsigned char order = 1); /** @} */ /** * Get a bond object. * @param bondId The index of the requested bond. * @return The requested bond object. Will be invalid if @a bondId >= * @a bondCount(). */ BondType bond(Index bondId) const; /** * Get a bond object. * @param atom1 The index of one atom in the bond. * @param atom2 The index of the other atom in bond. * @return The requested bond object. Will be invalid if @a atom1 or @a atom2 * do not exist. */ BondType bond(Index atom1, Index atom2) const; /** * Get a bond object. * @param atom1 One atom in the bond. * @param atom2 The other atom in bond. * @return The requested bond object. Will be invalid if @a atom1 or @a atom2 * are invalid. */ BondType bond(const AtomType& atom1, const AtomType& atom2) const; /** * Get a bond object from its unique id. * @param bondUid The unique id of the bond. * @return The requested bond object. Will be invalid if @a bondUid is not in * use. */ BondType bondByUniqueId(Index bondUid) const; /** * Get the unique id of a bond. * @param bondId The index of the requested bond. * @return The unique id currently assigned to the bond at index @a bondId */ Index bondUniqueId(Index bondId) const; /** * Get the unique id of a bond. * @param bond The requested bond object. * @return The unique id currently assigned to @a bond. */ Index bondUniqueId(const BondType& bond) const; /** * @return The number of bonds in the molecule. */ Index bondCount() const; /** * Remove the requested bond. * @return True on success, false otherwise. * @{ */ bool removeBond(Index bondId); bool removeBond(const BondType& bond); bool removeBond(Index atom1, Index atom2); bool removeBond(const AtomType& atom1, const AtomType& atom2); /** @} */ /** * Remove all bonds from the molecule. */ void clearBonds(); /** * Find bonds connected to an atom. * @param atom The atom of interest. * @return An array of bond objects that are attached to the specified atom. */ Core::Array bonds(const AtomType& atom) const; /** * Find bonds connected to an atom. * @param atomId The index for the atom of interest. * @return An array of bond objects that are attached to the specified atom. */ Core::Array bonds(const Index& atomId) const; /** * @return An array of bond orders for all bonds in the molecule, indexed by * bond index. */ const Core::Array& bondOrders() const; /** * Get the order of a bond. * @param bondId The id of the bond. * @return The bond order. */ unsigned char bondOrder(Index bondId) const; /** * Replace the current array of bond orders. * @param orders The new array. * @return True on success, false on failure. */ bool setBondOrders(const Core::Array& orders); /** * Set the order of a bond in the molecule. * @param bondId The bond's index. * @param order The new order of the bond. * @return True on success, false on failure. */ bool setBondOrder(Index bondId, unsigned char order); /** * @return An array of all bonded atoms in the molecule, indexed by bond * index. * Each bond pair is represented by a pair of atom indices. */ const Core::Array>& bondPairs() const; /** * Get the set of bonded atoms corresponding to @a bondId. * @param bondId The index of the requested bond. * @return The bonded atom pair, represented as a pair of atom indices. */ std::pair bondPair(Index bondId) const; /** * Replace the current array of bonded atoms. * @param pairs The array. * @return True on success, false on failure. * @note The bonded atoms are represented as a pair of bond indices. * @note If needed, the elements in @a pairs will be modified to ensure that * the first atom index is less than the second. */ bool setBondPairs(const Core::Array>& pairs); /** * Set the bonded atoms for a bond. * @param bondId The bond to modify. * @param pair The new bond pair. * @return True on success, false otherwise. * @note If needed, @a pair will be modified to ensure that the first atom * index is less than the second. */ bool setBondPair(Index bondId, const std::pair& pair); /** * Add a default unit cell to the molecule. Does nothing if there already * is a unit cell. Changes are emitted. */ void addUnitCell(); /** * Remove the unit cell from the molecule. Does nothing if there is * no unit cell. Changes are emitted. */ void removeUnitCell(); /** * Generic edit that changes the current molecule to be @a newMolecule. * Also sets the text for the undo command to be @a undoText. Changes are * emitted. * @param newMolecule The new molecule to be set. * @param changes The changes to be emitted. * @param undoText The text description for the undo command. */ void modifyMolecule( const Molecule& newMolecule, Molecule::MoleculeChanges changes, const QString& undoText = QStringLiteral("Modify Molecule")); /** * Generic edit that adds @a newMolecule to the current molecule. * Also sets the text for the undo command to be @a undoText. Changes are * emitted. * @param addMolecule The new molecule to be set. * @param undoText The text description for the undo command. */ void appendMolecule( const Molecule& addMolecule, const QString& undoText = QStringLiteral("Append Molecule")); /** * Edit the unit cell by replacing the current cell matrix with a new cell * matrix. Changes are emitted. * @param cellMatrix The new cell matrix to be set. * @param opts If TransformAtoms is specified, the atoms in @a molecule are * adjusted so that their fractional (lattice) coordinates are preserved. This * option is ignored if the input molecule has no unit cell. */ void editUnitCell(Matrix3 cellMatrix, Core::CrystalTools::Options opts); /** * Wrap atoms to the unit cell. Changes are emitted. */ void wrapAtomsToCell(); /** * Rotate cell to standard orientation. Changes are emitted. */ void rotateCellToStandardOrientation(); /** * Scale a cell's volume. Changes are emitted. * @param newVolume The new volume to be set. * @param options If CrystalTools::TransformAtoms is set, then * the atoms will be transformed during the scaling. */ void setCellVolume(double newVolume, Core::CrystalTools::Options options); /** * Build a supercell. Changes are emitted. * @param a The final number of units along the A vector (at least 1). * @param b The final number of units along the B vector (at least 1). * @param c The final number of units along the C vector (at least 1). */ void buildSupercell(unsigned int a, unsigned int b, unsigned int c); /** * Perform a Niggli reduction on the cell. Changes are emitted. */ void niggliReduceCell(); /** * Use spglib to reduce the cell to its primitive form. Changes are emitted. * @param cartTol Cartesian tolerance for primitive reduction. * @return True if the algorithm succeeded, and false if it failed. */ bool reduceCellToPrimitive(double cartTol = 1e-5); /** * Use spglib to convert the cell to its conventional form. Changes are * emitted. * @param cartTol Cartesian tolerance for conventionalization. * @return True if the algorithm succeeded, and false if it failed. */ bool conventionalizeCell(double cartTol = 1e-5); /** * Use spglib to symmetrize the cell. Changes are emitted. * @param cartTol Cartesian tolerance for symmetrization. * @return True if the algorithm succeeded, and false if it failed. */ bool symmetrizeCell(double cartTol = 1e-5); /** * Fill unit cell using transforms for the space group. Changes are emitted. * @param hallNumber The hall number to be used for transforming the cell. * @param cartTol Cartesian tolerance for comparing atom positions. * @return True if the algorithm succeeded, and false if it failed. */ bool fillUnitCell(unsigned short hallNumber, double cartTol = 1e-5); /** * Use transforms to reduce a cell to its asymmetric unit. Changes are * emitted. * @param hallNumber The hall number to be used for obtaining the transforms. * @param cartTol Cartesian tolerance for comparing atom positions. * @return True if the algorithm succeeded, and false if it failed. */ bool reduceCellToAsymmetricUnit(unsigned short hallNumber, double cartTol = 1e-5); /** * Call this function when you wish to merge all undo commands. * It turns on interactive mode to merge similar undo commands in a series * (in order to save space), and it uses QUndoStack's beginMacro() to merge * dissimilar undo commands together. You must call endMergeMode() to end * the merging section (undo and redo are unavailable while merge mode is * on). * @param undoName The name of the undo command */ void beginMergeMode(const QString& undoName = QStringLiteral("Draw")); /** * Call this function when you wish merge mode to end. This will turn off * interactive mode, and it will call QUndoStack's endMacro(). All of the * undo commands pushed between beginMergeMode() and endMergeMode() will be * merged into one undo command. beginMergeMode() should have been called * before this is called. */ void endMergeMode(); /** * @brief Begin or end an interactive edit. * * If enabled, certain undo operations will be merged together. For instance, * an editor dragging an atom through space in response to mouse movement will * only generate a single undo command containing the initial and final * positions and discard the intermediate states. If disabled, each * intermediate action will appear in the undo log. */ void setInteractive(bool b); /** * @return True if interactive mode is enabled, false otherwise. * @sa setInteractive */ bool isInteractive() const; /** * @return The QUndoStack for this molecule. * @{ */ QUndoStack& undoStack(); const QUndoStack& undoStack() const; /** @} */ class UndoCommand; friend class UndoCommand; /** Returns a vector of forces for the atoms in the molecule. */ const Core::Array& forceVectors() const; /** * Replace the current array of force vectors. * @param pos The new force vector array. Must be of length atomCount(). * @param undoText The undo text to be displayed for undo commands. * @return True on success, false otherwise. */ bool setForceVector( Index atomId, const Vector3& pos, const QString& undoText = QStringLiteral("Change Force Vectors")); public slots: /** * @brief Force the molecule to emit the changed() signal. * @param change See changed(). */ void emitChanged(unsigned int change); signals: /** * @brief Indicates that the molecule has changed. * @param change Use the MoleculeChange enum to check what has changed. * * The @p change variable indicates what has changed, i.e. if * change & Atoms == true then atoms were changed in some way, and if * change & Removed == true then one or more atoms were removed. */ void changed(unsigned int change); protected: Index findAtomUniqueId(Index atomId) const; Index findBondUniqueId(Index bondId) const; /** * @brief m_molecule still stored all data, this class acts upon it and builds * an undo/redo stack that can be used to offer undo and redo. */ Molecule& m_molecule; bool m_interactive; QUndoStack m_undoStack; friend class Molecule; }; class AVOGADROQTGUI_EXPORT RWAtom : public Core::AtomTemplate { public: RWAtom() : Core::AtomTemplate() {} RWAtom(RWMolecule* m, Index i) : Core::AtomTemplate(m, i) {} }; class AVOGADROQTGUI_EXPORT RWBond : public Core::BondTemplate { public: RWBond() : Core::BondTemplate() {} RWBond(RWMolecule* m, Index i) : Core::BondTemplate(m, i) {} }; inline RWMolecule::AtomType RWMolecule::atom(Index atomId) const { return AtomType(const_cast(this), atomId); } inline RWMolecule::AtomType RWMolecule::atomByUniqueId(Index atomUId) const { return atomUId < m_molecule.m_atomUniqueIds.size() ? AtomType(const_cast(this), m_molecule.m_atomUniqueIds[atomUId]) : AtomType(); } inline Index RWMolecule::atomUniqueId(Index atomId) const { return findAtomUniqueId(atomId); } inline Index RWMolecule::atomUniqueId(const RWMolecule::AtomType& a) const { return a.molecule() == this ? findAtomUniqueId(a.index()) : MaxIndex; } inline Index RWMolecule::atomCount() const { return m_molecule.atomCount(); } inline bool RWMolecule::removeAtom(const AtomType& a) { return a.molecule() == this ? removeAtom(a.index()) : false; } inline const Core::Array& RWMolecule::atomicNumbers() const { return m_molecule.atomicNumbers(); } inline unsigned char RWMolecule::atomicNumber(Index atomId) const { return m_molecule.atomicNumber(atomId); } inline const Core::Array& RWMolecule::atomPositions3d() const { return m_molecule.atomPositions3d(); } inline Vector3 RWMolecule::atomPosition3d(Index atomId) const { return m_molecule.atomPosition3d(atomId); } inline std::string RWMolecule::atomLabel(Index atomId) const { return m_molecule.atomLabel(atomId); } inline std::string RWMolecule::bondLabel(Index bondId) const { return m_molecule.bondLabel(bondId); } inline Core::AtomHybridization RWMolecule::hybridization(Index atomId) const { return m_molecule.hybridization(atomId); } inline signed char RWMolecule::formalCharge(Index atomId) const { return m_molecule.formalCharge(atomId); } inline Vector3ub RWMolecule::color(Index atomId) const { return m_molecule.color(atomId); } inline size_t RWMolecule::layer(Index atomId) const { return m_molecule.layer(atomId); } inline RWMolecule::BondType RWMolecule::addBond(const AtomType& atom1, const AtomType& atom2, unsigned char order) { if (atom1.molecule() != atom2.molecule() || atom1.molecule() != this) return BondType(); return addBond(atom1.index(), atom2.index(), order); } inline RWMolecule::BondType RWMolecule::bond(Index bondId) const { return BondType(const_cast(this), bondId); } inline RWMolecule::BondType RWMolecule::bond( const RWMolecule::AtomType& atom1, const RWMolecule::AtomType& atom2) const { if (atom1.molecule() == atom2.molecule() && atom1.molecule() == this) return bond(atom1.index(), atom2.index()); return BondType(); } inline RWMolecule::BondType RWMolecule::bondByUniqueId(Index bondUid) const { return bondUid < m_molecule.m_bondUniqueIds.size() ? BondType(const_cast(this), m_molecule.m_bondUniqueIds[bondUid]) : BondType(); } inline Index RWMolecule::bondUniqueId(Index bondId) const { return findBondUniqueId(bondId); } inline Index RWMolecule::bondUniqueId(const RWMolecule::BondType& b) const { return b.molecule() == this ? findBondUniqueId(b.index()) : MaxIndex; } inline Index RWMolecule::bondCount() const { return m_molecule.bondCount(); } inline bool RWMolecule::removeBond(const RWMolecule::BondType& b) { return b.molecule() == this ? removeBond(b.index()) : false; } inline bool RWMolecule::removeBond(Index atom1, Index atom2) { return removeBond(bond(atom1, atom2).index()); } inline bool RWMolecule::removeBond(const RWMolecule::AtomType& atom1, const RWMolecule::AtomType& atom2) { if (atom1.molecule() != atom2.molecule() || atom1.molecule() != this) return false; return removeBond(bond(atom1.index(), atom2.index()).index()); } inline Core::Array RWMolecule::bonds( const RWMolecule::AtomType& a) const { return a.molecule() == this ? bonds(a.index()) : Core::Array(); } inline Core::Array RWMolecule::bonds( const Index& atomId) const { auto atomBonds = m_molecule.bonds(atomId); Core::Array result; for (Index i = 0; i < atomBonds.size(); ++i) { result.push_back( BondType(const_cast(this), atomBonds[i].index())); } return result; } inline const Core::Array& RWMolecule::bondOrders() const { return m_molecule.bondOrders(); } inline unsigned char RWMolecule::bondOrder(Index bondId) const { return m_molecule.bondOrder(bondId); } inline const Core::Array>& RWMolecule::bondPairs() const { return m_molecule.bondPairs(); } inline std::pair RWMolecule::bondPair(Index bondId) const { return m_molecule.bondPair(bondId); } inline void RWMolecule::beginMergeMode(const QString& undoName) { m_interactive = true; m_undoStack.beginMacro(undoName); } inline void RWMolecule::endMergeMode() { m_interactive = false; m_undoStack.endMacro(); } inline void RWMolecule::setInteractive(bool b) { m_interactive = b; } inline bool RWMolecule::isInteractive() const { return m_interactive; } inline QUndoStack& RWMolecule::undoStack() { return m_undoStack; } inline const QUndoStack& RWMolecule::undoStack() const { return m_undoStack; } inline const Core::Array& RWMolecule::forceVectors() const { return m_molecule.forceVectors(); } } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_RWMOLECULE_H avogadrolibs-1.100.0/avogadro/qtgui/rwmolecule_undo.h000066400000000000000000000547561474375334400226730ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_RWMOLECULE_UNDO_H #define AVOGADRO_QTGUI_RWMOLECULE_UNDO_H #include "rwmolecule.h" #include #include namespace Avogadro { namespace QtGui { using Core::Array; using Core::AtomHybridization; using Core::UnitCell; // Base class for all undo commands used by this class. // Used to expose molecule internals without needing to add explicit friendships // between all undo commands and the container. // Subclasses that want to support automatic merging should use the // MergeUndoCommand interface below. // Subclass implementations are inline in the code below. Specific undo // operations are kept near the RWMolecule methods that use them. class RWMolecule::UndoCommand : public QUndoCommand { public: UndoCommand(RWMolecule& m) : QUndoCommand(tr("Modify Molecule")), m_mol(m), m_molecule(m.m_molecule) { } protected: Array& positions3d() { return m_molecule.atomPositions3d(); } Array& atomUniqueIds() { return m_mol.m_molecule.atomUniqueIds(); } Array& bondUniqueIds() { return m_mol.m_molecule.bondUniqueIds(); } RWMolecule& m_mol; QtGui::Molecule& m_molecule; }; namespace { enum MergeIds { SetPositions3dMergeId = 0, SetPosition3dMergeId, SetForceVectorMergeId, SetBondOrderMergeId, ModifySelectionMergeId, ModifyColorsMergeId }; // Base class for undo commands that can be merged together, overriding the // "after" state of an old command with that of the new command. // Intended for use with RWMolecule's interactive mode. // To add a new class, add a new entry to the MergeIds enum above and use that // symbolic value as the template parameter. Implement the mergeWith() method // to update the "after" state. See SetPositions3dCommand for an example. template class MergeUndoCommand : public RWMolecule::UndoCommand { bool m_canMerge; public: MergeUndoCommand(RWMolecule& m) : UndoCommand(m), m_canMerge(false) {} void setCanMerge(bool merge) { m_canMerge = merge; } bool canMerge() const { return m_canMerge; } int id() const override { return m_canMerge ? Id : -1; } }; } // namespace namespace { class AddAtomCommand : public RWMolecule::UndoCommand { unsigned char m_atomicNumber; bool m_usingPositions; Index m_atomId; Index m_atomUid; size_t m_layer; public: AddAtomCommand(RWMolecule& m, unsigned char aN, bool usingPositions, Index atomId, Index uid) : UndoCommand(m), m_atomicNumber(aN), m_usingPositions(usingPositions), m_atomId(atomId), m_atomUid(uid) { m_layer = m_molecule.layer().activeLayer(); } void redo() override { assert(m_molecule.atomCount() == m_atomId); if (m_usingPositions) m_molecule.addAtom(m_atomicNumber, Vector3::Zero(), m_atomUid); else m_molecule.addAtom(m_atomicNumber, m_atomUid); m_molecule.layer().addAtom(m_layer, m_atomId); } void undo() override { assert(m_molecule.atomCount() == m_atomId + 1); m_layer = m_molecule.layer().getLayerID(m_atomId); m_molecule.removeAtom(m_atomId); } }; } // namespace namespace { class RemoveAtomCommand : public RWMolecule::UndoCommand { Index m_atomId; Index m_atomUid; unsigned char m_atomicNumber; Vector3 m_position3d; Array> m_bonds; Array m_orders; size_t m_layer; public: RemoveAtomCommand(RWMolecule& m, Index atomId, Index uid, unsigned char aN, const Vector3& pos) : UndoCommand(m), m_atomId(atomId), m_atomUid(uid), m_atomicNumber(aN), m_position3d(pos) { } void redo() override { assert(m_atomId < m_molecule.atomCount()); m_layer = m_molecule.layer().getLayerID(m_atomId); m_bonds = m_molecule.getAtomBonds(m_atomId); m_orders = m_molecule.getAtomOrders(m_atomId); m_molecule.removeAtom(m_atomId); } void undo() override { m_molecule.addAtom(m_atomicNumber, m_position3d, m_atomUid); // Swap the moved and unremoved atom data if needed Index movedId = m_mol.atomCount() - 1; m_molecule.layer().addAtom(m_layer, movedId); m_molecule.swapAtom(m_atomId, movedId); m_molecule.addBonds(m_bonds, m_orders); m_bonds.clear(); } }; } // namespace namespace { class SetAtomicNumbersCommand : public RWMolecule::UndoCommand { Core::Array m_oldAtomicNumbers; Core::Array m_newAtomicNumbers; public: SetAtomicNumbersCommand(RWMolecule& m, const Core::Array& oldAtomicNumbers, const Core::Array& newAtomicNumbers) : UndoCommand(m), m_oldAtomicNumbers(oldAtomicNumbers), m_newAtomicNumbers(newAtomicNumbers) { } void redo() override { m_molecule.setAtomicNumbers(m_newAtomicNumbers); } void undo() override { m_molecule.setAtomicNumbers(m_oldAtomicNumbers); } }; } // namespace namespace { class SetAtomicNumberCommand : public RWMolecule::UndoCommand { Index m_atomId; unsigned char m_oldAtomicNumber; unsigned char m_newAtomicNumber; public: SetAtomicNumberCommand(RWMolecule& m, Index atomId, unsigned char oldAtomicNumber, unsigned char newAtomicNumber) : UndoCommand(m), m_atomId(atomId), m_oldAtomicNumber(oldAtomicNumber), m_newAtomicNumber(newAtomicNumber) { } void redo() override { m_molecule.setAtomicNumber(m_atomId, m_newAtomicNumber); } void undo() override { m_molecule.setAtomicNumber(m_atomId, m_oldAtomicNumber); } }; } // namespace namespace { class SetPositions3dCommand : public MergeUndoCommand { Core::Array m_oldPositions3d; Core::Array m_newPositions3d; public: SetPositions3dCommand(RWMolecule& m, const Core::Array& oldPositions3d, const Core::Array& newPositions3d) : MergeUndoCommand(m), m_oldPositions3d(oldPositions3d), m_newPositions3d(newPositions3d) { } void redo() override { positions3d() = m_newPositions3d; } void undo() override { positions3d() = m_oldPositions3d; } bool mergeWith(const QUndoCommand* other) override { const SetPositions3dCommand* o = dynamic_cast(other); if (o) { m_newPositions3d = o->m_newPositions3d; return true; } return false; } }; } // namespace namespace { class SetPosition3dCommand : public MergeUndoCommand { Array m_atomIds; Array m_oldPosition3ds; Array m_newPosition3ds; public: SetPosition3dCommand(RWMolecule& m, Index atomId, const Vector3& oldPosition3d, const Vector3& newPosition3d) : MergeUndoCommand(m), m_atomIds(1, atomId), m_oldPosition3ds(1, oldPosition3d), m_newPosition3ds(1, newPosition3d) { } void redo() override { for (size_t i = 0; i < m_atomIds.size(); ++i) positions3d()[m_atomIds[i]] = m_newPosition3ds[i]; } void undo() override { for (size_t i = 0; i < m_atomIds.size(); ++i) positions3d()[m_atomIds[i]] = m_oldPosition3ds[i]; } bool mergeWith(const QUndoCommand* o) override { const SetPosition3dCommand* other = dynamic_cast(o); if (!other) return false; size_t numAtoms = other->m_atomIds.size(); if (numAtoms != other->m_oldPosition3ds.size() || numAtoms != other->m_newPosition3ds.size()) { return false; } for (size_t i = 0; i < numAtoms; ++i) { const Index& atomId = other->m_atomIds[i]; const Vector3& oldPos = other->m_oldPosition3ds[i]; const Vector3& newPos = other->m_newPosition3ds[i]; Array::const_iterator idsBegin = m_atomIds.begin(); Array::const_iterator idsEnd = m_atomIds.end(); Array::const_iterator match = std::find(idsBegin, idsEnd, atomId); if (match == idsEnd) { // Append a new atom: m_atomIds.push_back(atomId); m_oldPosition3ds.push_back(oldPos); m_newPosition3ds.push_back(newPos); } else { // Overwrite the existing movement: size_t offset = std::distance(idsBegin, match); assert(m_atomIds[offset] == atomId); m_newPosition3ds[offset] = newPos; } } return true; } }; } // namespace namespace { class SetAtomHybridizationCommand : public RWMolecule::UndoCommand { Index m_atomId; AtomHybridization m_oldHybridization; AtomHybridization m_newHybridization; public: SetAtomHybridizationCommand(RWMolecule& m, Index atomId, AtomHybridization oldHybridization, AtomHybridization newHybridization) : UndoCommand(m), m_atomId(atomId), m_oldHybridization(oldHybridization), m_newHybridization(newHybridization) { } void redo() override { m_molecule.setHybridization(m_atomId, m_newHybridization); } void undo() override { m_molecule.setHybridization(m_atomId, m_oldHybridization); } }; } // namespace namespace { class SetAtomFormalChargeCommand : public RWMolecule::UndoCommand { Index m_atomId; signed char m_oldCharge; signed char m_newCharge; public: SetAtomFormalChargeCommand(RWMolecule& m, Index atomId, signed char oldCharge, signed char newCharge) : UndoCommand(m), m_atomId(atomId), m_oldCharge(oldCharge), m_newCharge(newCharge) { } void redo() override { m_molecule.setFormalCharge(m_atomId, m_newCharge); } void undo() override { m_molecule.setFormalCharge(m_atomId, m_oldCharge); } }; } // namespace namespace { class SetAtomColorCommand : public RWMolecule::UndoCommand { Index m_atomId; Vector3ub m_oldColor; Vector3ub m_newColor; public: SetAtomColorCommand(RWMolecule& m, Index atomId, Vector3ub oldColor, Vector3ub newColor) : UndoCommand(m), m_atomId(atomId), m_oldColor(oldColor), m_newColor(newColor) { } void redo() override { m_molecule.setColor(m_atomId, m_newColor); } void undo() override { m_molecule.setColor(m_atomId, m_oldColor); } }; class SetLayerCommand : public RWMolecule::UndoCommand { Index m_atomId; size_t m_oldLayer; size_t m_newLayer; public: SetLayerCommand(RWMolecule& m, Index atomId, size_t oldLayer, size_t newLayer) : UndoCommand(m), m_atomId(atomId), m_oldLayer(oldLayer), m_newLayer(newLayer) { } void redo() override { m_molecule.setLayer(m_atomId, m_newLayer); } void undo() override { m_molecule.setLayer(m_atomId, m_oldLayer); } }; class AddBondCommand : public RWMolecule::UndoCommand { unsigned char m_bondOrder; std::pair m_bondPair; Index m_bondId; Index m_bondUid; public: AddBondCommand(RWMolecule& m, unsigned char order, const std::pair& bondPair, Index bondId, Index uid) : UndoCommand(m), m_bondOrder(order), m_bondPair(bondPair), m_bondId(bondId), m_bondUid(uid) { } void redo() override { assert(m_molecule.bondCount() == m_bondId); m_molecule.addBond(m_bondPair.first, m_bondPair.second, m_bondOrder); } void undo() override { // we know this is the top so just a simple remove m_molecule.removeBond(m_bondId); } }; } // namespace namespace { class RemoveBondCommand : public RWMolecule::UndoCommand { Index m_bondId; Index m_bondUid; std::pair m_bondPair; unsigned char m_bondOrder; public: RemoveBondCommand(RWMolecule& m, Index bondId, Index bondUid, const std::pair& bondPair, unsigned char bondOrder) : UndoCommand(m), m_bondId(bondId), m_bondUid(bondUid), m_bondPair(bondPair), m_bondOrder(bondOrder) { } void redo() override { m_molecule.removeBond(m_bondId); } void undo() override { m_molecule.addBond(m_bondPair.first, m_bondPair.second, m_bondOrder, m_bondUid); Index movedId = m_molecule.bondCount() - 1; m_molecule.swapBond(m_bondId, movedId); } }; } // namespace namespace { class SetBondOrdersCommand : public RWMolecule::UndoCommand { Array m_oldBondOrders; Array m_newBondOrders; public: SetBondOrdersCommand(RWMolecule& m, const Array& oldBondOrders, const Array& newBondOrders) : UndoCommand(m), m_oldBondOrders(oldBondOrders), m_newBondOrders(newBondOrders) { } void redo() override { m_molecule.setBondOrders(m_newBondOrders); } void undo() override { m_molecule.setBondOrders(m_oldBondOrders); } }; } // namespace namespace { class SetBondOrderCommand : public MergeUndoCommand { Index m_bondId; unsigned char m_oldBondOrder; unsigned char m_newBondOrder; public: SetBondOrderCommand(RWMolecule& m, Index bondId, unsigned char oldBondOrder, unsigned char newBondOrder) : MergeUndoCommand(m), m_bondId(bondId), m_oldBondOrder(oldBondOrder), m_newBondOrder(newBondOrder) { } void redo() override { m_molecule.setBondOrder(m_bondId, m_newBondOrder); } void undo() override { m_molecule.setBondOrder(m_bondId, m_oldBondOrder); } bool mergeWith(const QUndoCommand* other) override { const SetBondOrderCommand* o = dynamic_cast(other); // Only merge when the bondIds match. if (o && o->m_bondId == this->m_bondId) { this->m_newBondOrder = o->m_newBondOrder; return true; } return false; } }; } // namespace namespace { class SetBondPairsCommand : public RWMolecule::UndoCommand { Array> m_oldBondPairs; Array> m_newBondPairs; public: SetBondPairsCommand(RWMolecule& m, const Array>& oldBondPairs, const Array>& newBondPairs) : UndoCommand(m), m_oldBondPairs(oldBondPairs), m_newBondPairs(newBondPairs) { } void redo() override { m_molecule.setBondPairs(m_newBondPairs); } void undo() override { m_molecule.setBondPairs(m_oldBondPairs); } }; } // namespace namespace { class SetBondPairCommand : public RWMolecule::UndoCommand { Index m_bondId; std::pair m_oldBondPair; std::pair m_newBondPair; public: SetBondPairCommand(RWMolecule& m, Index bondId, const std::pair& oldBondPair, const std::pair& newBondPair) : UndoCommand(m), m_bondId(bondId), m_oldBondPair(oldBondPair), m_newBondPair(newBondPair) { } void redo() override { m_molecule.setBondPair(m_bondId, m_newBondPair); } void undo() override { m_molecule.setBondPair(m_bondId, m_oldBondPair); } }; } // namespace namespace { class AddUnitCellCommand : public RWMolecule::UndoCommand { UnitCell m_newUnitCell; public: AddUnitCellCommand(RWMolecule& m, const UnitCell& newUnitCell) : UndoCommand(m), m_newUnitCell(newUnitCell) { } void redo() override { m_mol.molecule().setUnitCell(new UnitCell(m_newUnitCell)); } void undo() override { m_mol.molecule().setUnitCell(nullptr); } }; } // namespace namespace { class RemoveUnitCellCommand : public RWMolecule::UndoCommand { UnitCell m_oldUnitCell; public: RemoveUnitCellCommand(RWMolecule& m, const UnitCell& oldUnitCell) : UndoCommand(m), m_oldUnitCell(oldUnitCell) { } void redo() override { m_mol.molecule().setUnitCell(nullptr); } void undo() override { m_mol.molecule().setUnitCell(new UnitCell(m_oldUnitCell)); } }; } // namespace namespace { class ModifyMoleculeCommand : public RWMolecule::UndoCommand { Molecule m_oldMolecule; Molecule m_newMolecule; public: ModifyMoleculeCommand(RWMolecule& m, const Molecule& oldMolecule, const Molecule& newMolecule) : UndoCommand(m), m_oldMolecule(oldMolecule), m_newMolecule(newMolecule) { } void redo() override { m_mol.molecule() = m_newMolecule; } void undo() override { m_mol.molecule() = m_oldMolecule; } }; } // namespace namespace { class SetForceVectorCommand : public MergeUndoCommand { Array m_atomIds; Array m_oldForceVectors; Array m_newForceVectors; public: SetForceVectorCommand(RWMolecule& m, Index atomId, const Vector3& oldForceVector, const Vector3& newForceVector) : MergeUndoCommand(m), m_atomIds(1, atomId), m_oldForceVectors(1, oldForceVector), m_newForceVectors(1, newForceVector) { } void redo() override { for (size_t i = 0; i < m_atomIds.size(); ++i) m_molecule.setForceVector(m_atomIds[i], m_newForceVectors[i]); } void undo() override { for (size_t i = 0; i < m_atomIds.size(); ++i) m_molecule.setForceVector(m_atomIds[i], m_oldForceVectors[i]); } bool mergeWith(const QUndoCommand* o) override { const SetForceVectorCommand* other = dynamic_cast(o); if (!other) return false; size_t numAtoms = other->m_atomIds.size(); if (numAtoms != other->m_oldForceVectors.size() || numAtoms != other->m_newForceVectors.size()) { return false; } for (size_t i = 0; i < numAtoms; ++i) { const Index& atomId = other->m_atomIds[i]; const Vector3& oldPos = other->m_oldForceVectors[i]; const Vector3& newPos = other->m_newForceVectors[i]; Array::const_iterator idsBegin = m_atomIds.begin(); Array::const_iterator idsEnd = m_atomIds.end(); Array::const_iterator match = std::find(idsBegin, idsEnd, atomId); if (match == idsEnd) { // Append a new atom: m_atomIds.push_back(atomId); m_oldForceVectors.push_back(oldPos); m_newForceVectors.push_back(newPos); } else { // Overwrite the existing movement: size_t offset = std::distance(idsBegin, match); assert(m_atomIds[offset] == atomId); m_newForceVectors[offset] = newPos; } } return true; } }; } // namespace namespace { class ModifyAtomLabelCommand : public RWMolecule::UndoCommand { Index m_atomId; std::string m_newLabel; std::string m_oldLabel; public: ModifyAtomLabelCommand(RWMolecule& m, Index atomId, const std::string& label) : UndoCommand(m), m_atomId(atomId), m_newLabel(label) { m_oldLabel = m_mol.molecule().atomLabel(m_atomId); } void redo() override { m_mol.molecule().setAtomLabel(m_atomId, m_newLabel); } void undo() override { m_mol.molecule().setAtomLabel(m_atomId, m_oldLabel); } }; } // namespace namespace { class ModifyBondLabelCommand : public RWMolecule::UndoCommand { Index m_bondId; std::string m_newLabel; std::string m_oldLabel; public: ModifyBondLabelCommand(RWMolecule& m, Index bondId, const std::string& label) : UndoCommand(m), m_bondId(bondId), m_newLabel(label) { m_oldLabel = m_mol.molecule().bondLabel(m_bondId); } void redo() override { m_mol.molecule().setBondLabel(m_bondId, m_newLabel); } void undo() override { m_mol.molecule().setBondLabel(m_bondId, m_oldLabel); } }; } // namespace namespace { class ModifySelectionCommand : public MergeUndoCommand { std::vector m_newSelectedAtoms; std::vector m_oldSelectedAtoms; public: ModifySelectionCommand(RWMolecule& m, Index atomId, bool selected) : MergeUndoCommand(m) { Index atomCount = m_mol.molecule().atomCount(); m_oldSelectedAtoms.resize(atomCount); m_newSelectedAtoms.resize(atomCount); for (Index i = 0; i < atomCount; ++i) { m_oldSelectedAtoms[i] = m_molecule.atomSelected(i); m_newSelectedAtoms[i] = m_molecule.atomSelected(i); } m_newSelectedAtoms[atomId] = selected; } void redo() override { Index atomCount = m_mol.molecule().atomCount(); for (Index i = 0; i < atomCount; ++i) m_mol.molecule().setAtomSelected(i, m_newSelectedAtoms[i]); } void undo() override { Index atomCount = m_mol.molecule().atomCount(); for (Index i = 0; i < atomCount; ++i) m_mol.molecule().setAtomSelected(i, m_oldSelectedAtoms[i]); } bool mergeWith(const QUndoCommand* other) override { const ModifySelectionCommand* o = dynamic_cast(other); if (!o) return false; // check if the atom count matches Index numAtoms = m_oldSelectedAtoms.size(); if (numAtoms != o->m_oldSelectedAtoms.size() || numAtoms != o->m_newSelectedAtoms.size()) return false; // merge these, by grabbing the new selected atoms m_newSelectedAtoms = o->m_newSelectedAtoms; return true; } }; } // namespace /* namespace { class ModifyColorCommand : public MergeUndoCommand { Array m_newSelectedAtoms; Array m_oldSelectedAtoms; public: ModifySelectionCommand(RWMolecule& m, Index atomId, bool selected) : MergeUndoCommand(m) { Index atomCount = m_mol.molecule().atomCount(); m_oldSelectedAtoms.reserve(atomCount); m_newSelectedAtoms.reserve(atomCount); for (Index i = 0; i < atomCount; ++i) { m_oldSelectedAtoms[i] = m_molecule.atomSelected(i); m_newSelectedAtoms[i] = m_molecule.atomSelected(i); } m_newSelectedAtoms[atomId] = selected; } void redo() override { Index atomCount = m_mol.molecule().atomCount(); for (Index i = 0; i < atomCount; ++i) m_mol.molecule().setAtomSelected(i, m_newSelectedAtoms[i]); } void undo() override { Index atomCount = m_mol.molecule().atomCount(); for (Index i = 0; i < atomCount; ++i) m_mol.molecule().setAtomSelected(i, m_oldSelectedAtoms[i]); } bool mergeWith(const QUndoCommand* other) override { const ModifySelectionCommand* o = dynamic_cast(other); if (o) { // check if the atom count matches Index numAtoms = m_oldSelectedAtoms.size(); if (numAtoms != o->m_oldSelectedAtoms.size() || numAtoms != o->m_newSelectedAtoms.size()) { return false; } // merge these, by grabbing the new selected atoms for (Index i = 0; i < numAtoms; ++i) m_newSelectedAtoms[i] = o->m_newSelectedAtoms[i]; return true; } return false; } }; } // namespace */ } // namespace QtGui } // namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/qtgui/sceneplugin.cpp000066400000000000000000000017161474375334400223230ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "sceneplugin.h" namespace Avogadro::QtGui { ScenePlugin::ScenePlugin(QObject* parent_) : QObject(parent_) {} ScenePlugin::~ScenePlugin() {} void ScenePlugin::process(const QtGui::Molecule&, Rendering::GroupNode&) {} void ScenePlugin::processEditable(const RWMolecule&, Rendering::GroupNode&) {} QWidget* ScenePlugin::setupWidget() { return nullptr; } bool ScenePlugin::isEnabled() const { return m_layerManager.isEnabled(); } bool ScenePlugin::isActiveLayerEnabled() const { return m_layerManager.isActiveLayerEnabled(); } void ScenePlugin::setEnabled(bool enable) { m_layerManager.setEnabled(enable); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtgui/sceneplugin.h000066400000000000000000000062021474375334400217630ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_SCENEPLUGIN_H #define AVOGADRO_QTGUI_SCENEPLUGIN_H #include "avogadroqtguiexport.h" #include "pluginlayermanager.h" #include #include #include namespace Avogadro { namespace Core { class Molecule; } namespace Rendering { class GroupNode; } namespace QtGui { class RWMolecule; class Molecule; /** * @class ScenePluginFactory sceneplugin.h * @brief The base class for scene plugin factories in Avogadro. * @author Marcus D. Hanwell */ class AVOGADROQTGUI_EXPORT ScenePlugin : public QObject { Q_OBJECT public: explicit ScenePlugin(QObject* parent = nullptr); ~ScenePlugin() override; /** * Process the supplied atom, and add the necessary primitives to the scene. */ virtual void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node); virtual void processEditable(const RWMolecule& molecule, Rendering::GroupNode& node); /** * The name of the scene plugin, will be displayed in the user interface. */ virtual QString name() const = 0; /** * A description of the scene plugin, may be displayed in the user interface. */ virtual QString description() const = 0; /** * Returns true if the scene plugin has been enabled and is active. */ virtual bool isEnabled() const; /** * Returns true if the scene plugin has been enabled and is active in the * active scene. */ virtual bool isActiveLayerEnabled() const; /** * Set the enabled state of the plugin (default should be false). */ virtual void setEnabled(bool enable); /** * @return the widget for plugin settings (e.g., colors, widths, etc.) */ virtual QWidget* setupWidget(); /** * This method exists to query without creating the widget. * @return true if the plugin has a setup widget */ virtual bool hasSetupWidget() const { return false; } /** * Returns if this plugin should be considered in the default behavior, * or it should reset to true or false. */ enum DefaultBehavior { Ignore, False, True }; virtual DefaultBehavior defaultBehavior() const { return Ignore; } signals: void drawablesChanged(); protected: PluginLayerManager m_layerManager; }; /** * @class ScenePluginFactory sceneplugin.h * @brief The base class for scene plugin factories in Avogadro. * @author Marcus D. Hanwell */ class AVOGADROQTGUI_EXPORT ScenePluginFactory : public Avogadro::QtPlugins::PluginFactory { public: ~ScenePluginFactory() override {} }; } // namespace QtGui } // namespace Avogadro Q_DECLARE_INTERFACE(Avogadro::QtGui::ScenePluginFactory, "org.openchemistry.avogadro.ScenePluginFactory") #endif // AVOGADRO_QTGUI_SCENEPLUGIN_H avogadrolibs-1.100.0/avogadro/qtgui/scenepluginmodel.cpp000066400000000000000000000105531474375334400233430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "scenepluginmodel.h" #include "sceneplugin.h" namespace Avogadro::QtGui { ScenePluginModel::ScenePluginModel(QObject* parent_) : QAbstractItemModel(parent_) { } QModelIndex ScenePluginModel::parent(const QModelIndex&) const { return QModelIndex(); } int ScenePluginModel::rowCount(const QModelIndex& parent_) const { if (parent_.isValid()) return 0; else return m_scenePlugins.size(); } int ScenePluginModel::columnCount(const QModelIndex&) const { return 2; } Qt::ItemFlags ScenePluginModel::flags(const QModelIndex& index_) const { if (index_.column() == 0) return Qt::ItemIsEditable | Qt::ItemIsUserCheckable | Qt::ItemIsEnabled; else return Qt::ItemIsEnabled; } bool ScenePluginModel::setData(const QModelIndex& index_, const QVariant& value, int role) { if (!index_.isValid() || index_.column() > 1) return false; auto* item = qobject_cast(static_cast(index_.internalPointer())); if (!item) return false; switch (role) { case Qt::CheckStateRole: if (value == Qt::Checked && !item->isActiveLayerEnabled()) { item->setEnabled(true); emit pluginStateChanged(item); } else if (value == Qt::Unchecked && item->isActiveLayerEnabled()) { item->setEnabled(false); emit pluginStateChanged(item); } emit dataChanged(index_, index_); return true; } return false; } QVariant ScenePluginModel::data(const QModelIndex& index_, int role) const { if (!index_.isValid() || index_.column() > 2) return QVariant(); auto* object = static_cast(index_.internalPointer()); auto* item = qobject_cast(object); if (!item) return QVariant(); // Simple lambda to convert QFlags to variant as in Qt 6 this needs help. auto toVariant = [&](auto flags) { return static_cast(flags); }; // check if setupWidget() returns something if (index_.column() == 1) { switch (role) { case Qt::DisplayRole: case Qt::EditRole: return (item->hasSetupWidget()) ? "•••" : " "; case Qt::ToolTipRole: case Qt::WhatsThisRole: return tr("Settings"); case Qt::TextAlignmentRole: return toVariant(Qt::AlignLeft | Qt::AlignVCenter); default: return QVariant(); } } if (index_.column() == 0) { switch (role) { case Qt::DisplayRole: case Qt::EditRole: return item->name(); case Qt::CheckStateRole: if (item->isActiveLayerEnabled()) return Qt::Checked; else return Qt::Unchecked; case Qt::ToolTipRole: case Qt::WhatsThisRole: return item->description(); case Qt::TextAlignmentRole: return toVariant(Qt::AlignLeft); default: return QVariant(); } } return QVariant(); } QModelIndex ScenePluginModel::index(int row, int column, const QModelIndex& parent_) const { if (!parent_.isValid() && row >= 0 && row < m_scenePlugins.size()) return createIndex(row, column, m_scenePlugins[row]); else return QModelIndex(); } void ScenePluginModel::clear() { m_scenePlugins.clear(); } QList ScenePluginModel::scenePlugins() const { return m_scenePlugins; } QList ScenePluginModel::activeScenePlugins() const { QList result; foreach (ScenePlugin* plugin, m_scenePlugins) { if (plugin->isEnabled()) result << plugin; } return result; } void ScenePluginModel::addItem(ScenePlugin* item) { if (!m_scenePlugins.contains(item)) { m_scenePlugins.append(item); item->setParent(this); connect(item, SIGNAL(drawablesChanged()), SIGNAL(pluginConfigChanged())); } } void ScenePluginModel::removeItem(ScenePlugin* item) { m_scenePlugins.removeAll(item); } void ScenePluginModel::itemChanged() { auto* item = qobject_cast(sender()); if (item) { int row = m_scenePlugins.indexOf(item); if (row >= 0) emit dataChanged(createIndex(row, 0), createIndex(row, 0)); } } } // namespace Avogadro::QtGui avogadrolibs-1.100.0/avogadro/qtgui/scenepluginmodel.h000066400000000000000000000035511474375334400230100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_SCENEPLUGINMODEL_H #define AVOGADRO_QTGUI_SCENEPLUGINMODEL_H #include "avogadroqtguiexport.h" #include namespace Avogadro { namespace QtGui { class ScenePlugin; /** * @class ScenePluginModel scenepluginmodel.h * * @brief A model containing scene plugins that will build up the scene. * @author Marcus D. Hanwell */ class AVOGADROQTGUI_EXPORT ScenePluginModel : public QAbstractItemModel { Q_OBJECT public: explicit ScenePluginModel(QObject* parent = nullptr); QModelIndex parent(const QModelIndex& child) const override; int rowCount(const QModelIndex& parent) const override; int columnCount(const QModelIndex& parent) const override; Qt::ItemFlags flags(const QModelIndex& index) const override; bool setData(const QModelIndex& index, const QVariant& value, int role) override; QVariant data(const QModelIndex& index, int role) const override; QModelIndex index(int row, int column, const QModelIndex& parent = QModelIndex()) const override; void clear(); QList scenePlugins() const; QList activeScenePlugins() const; signals: void pluginStateChanged(Avogadro::QtGui::ScenePlugin*); void pluginConfigChanged(); public slots: void addItem(Avogadro::QtGui::ScenePlugin* item); void removeItem(Avogadro::QtGui::ScenePlugin* item); void itemChanged(); private: QList m_scenePlugins; }; } // End QtGui namespace } // End Avogadro namespace #endif // AVOGADRO_QTGUI_SCENEPLUGINMODEL_H avogadrolibs-1.100.0/avogadro/qtgui/scriptloader.cpp000066400000000000000000000150661474375334400225050ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "scriptloader.h" #include "interfacescript.h" #include "utilities.h" #include #include #include #include #include #include #include #include namespace Avogadro::QtGui { ScriptLoader::ScriptLoader(QObject* parent_) : QObject(parent_) {} ScriptLoader::~ScriptLoader() {} bool ScriptLoader::queryProgramName(const QString& scriptFilePath, QString& displayName) { InterfaceScript gen(scriptFilePath); displayName = gen.displayName(); if (gen.hasErrors()) { displayName.clear(); qWarning() << tr("Cannot load script %1").arg(scriptFilePath); return false; } return true; } QMultiMap ScriptLoader::scriptList(const QString& type) { // List of directories to check. /// @todo Custom script locations QStringList dirs; QMultiMap scriptList; QSettings settings; // to cache the names of scripts QStringList scriptFiles = settings.value("scripts/" + type).toStringList(); QStringList scriptNames = settings.value("scripts/" + type + "/names").toStringList(); // hash from the last modified time and size of the scripts QStringList scriptHashes = settings.value("scripts/" + type + "/hashes").toStringList(); // add the default paths QStringList stdPaths = QStandardPaths::standardLocations(QStandardPaths::AppLocalDataLocation); foreach (const QString& dirStr, stdPaths) { QString path = dirStr + '/' + type; dirs << path; // we'll check if these exist below } dirs << QCoreApplication::applicationDirPath() + "/../" + QtGui::Utilities::libraryDirectory() + "/avogadro2/scripts/" + type; // build up a list of possible files, then we check if they're real scripts QStringList fileList; foreach (const QString& dirStr, dirs) { #ifndef NDEBUG qDebug() << tr("Checking for %1 scripts in path %2").arg(type).arg(dirStr); #endif QDir dir(dirStr); if (dir.exists() && dir.isReadable()) { foreach ( const QFileInfo& file, dir.entryInfoList(QDir::Files | QDir::Dirs | QDir::NoDotAndDotDot)) { QString filePath = file.absoluteFilePath(); if (file.isDir()) { // handle subdirectory packages with plugins.json files QFileInfo jsonManifest(filePath + "/plugin.json"); if (jsonManifest.isReadable()) { // load the JSON QFile jsonFile(jsonManifest.absoluteFilePath()); jsonFile.open(QIODevice::ReadOnly | QIODevice::Text); QByteArray data = jsonFile.readAll(); jsonFile.close(); QJsonDocument d = QJsonDocument::fromJson(data); if (!d.isNull() && d.isObject()) { /* find the "commands" array { "name": "Gaussian", "command": "gaussian" }, { "name": "MOPAC", "command": "mopac" }, { "name": "ORCA", "command": "orca" }, */ QJsonValue commands = d.object()["commands"]; if (commands.type() == QJsonValue::Array) { // check if "command.*" exists as a file QJsonArray list = commands.toArray(); for (auto&& i : list) { QJsonValue command = i.toObject()["command"]; QString name = command.toString(); if (name.isEmpty() || name.isNull()) continue; QFileInfo commandFile(filePath + '/' + name); if (commandFile.isReadable()) { fileList << commandFile.absoluteFilePath(); continue; } // doesn't exist, so try the .py version // TODO: set this up as a loop with name filters commandFile.setFile(filePath + '/' + name + ".py"); if (commandFile.isReadable()) { fileList << commandFile.absoluteFilePath(); continue; } } } // "commands" JSON is array } // document is json } // plugin.json file exists continue; } // end reading subdirectories with plugin.json if (file.isReadable()) fileList << filePath; } } // end dir.exists() } // end for directory list // go through the list of files to see if they're actually scripts foreach (const QString& filePath, fileList) { QFileInfo file(filePath); // check if we have this from the last time if (scriptFiles.contains(filePath)) { int index = scriptFiles.indexOf(filePath); if (index != -1) { QString hash = scriptHashes.at(index); // got a match? if (hash == QString::number(file.size()) + file.lastModified().toString()) { scriptList.insert(scriptNames.at(index), filePath); continue; } } } QString displayName; if (queryProgramName(filePath, displayName)) { if (displayName.isEmpty()) continue; // don't add empty menu items // Might be another script with the same name if (scriptList.contains(displayName)) { // check the last-modified-time of the existing case QFileInfo existingFile(scriptList.value(displayName)); if (file.lastModified() > existingFile.lastModified()) { // replace existing with this new entry scriptList.replace(displayName, filePath); // update the cache int index = scriptFiles.indexOf(filePath); if (index != -1) { scriptFiles.replace(index, filePath); scriptNames.replace(index, displayName); scriptHashes.replace(index, QString::number(file.size()) + file.lastModified().toString()); } } } else { // new entry scriptList.insert(displayName, filePath); // update the cache scriptFiles << filePath; scriptNames << displayName; scriptHashes << QString::number(file.size()) + file.lastModified().toString(Qt::ISODate); } } // run queryProgramName } // foreach files return scriptList; } } // namespace Avogadro::QtGui avogadrolibs-1.100.0/avogadro/qtgui/scriptloader.h000066400000000000000000000023621474375334400221450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_SCRIPTLOADER_H #define AVOGADRO_QTGUI_SCRIPTLOADER_H #include "avogadroqtguiexport.h" #include #include #include namespace Avogadro { namespace QtGui { /** * @brief The ScriptLoader class finds and verifies different types of * python utility scripts. * * For example, finding all the "charge" scripts * auto chargeScripts = ScriptLoader::scriptList("charge"); */ class AVOGADROQTGUI_EXPORT ScriptLoader : public QObject { Q_OBJECT public: explicit ScriptLoader(QObject* parent_ = nullptr); ~ScriptLoader() override; /** * @return A map of name -> path for all scripts of the requested @arg type */ static QMultiMap scriptList(const QString& type); static bool queryProgramName(const QString& scriptFilePath, QString& displayName); }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_SCRIPTLOADER_H avogadrolibs-1.100.0/avogadro/qtgui/slatersetconcurrent.cpp000066400000000000000000000067671474375334400241330ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "slatersetconcurrent.h" #include #include #include #include #include #include namespace Avogadro::QtGui { using Core::Cube; using Core::SlaterSet; using Core::SlaterSetTools; struct SlaterShell { SlaterSetTools* tools; // A pointer to the tools, cannot write to member vars Cube* tCube; // The target cube, used to initialise temp cubes too unsigned int pos; // The index of the point to calculate the MO for unsigned int state; // The MO number to calculate }; SlaterSetConcurrent::SlaterSetConcurrent(QObject* p) : QObject(p), m_shells(nullptr), m_set(nullptr), m_tools(nullptr) { // Watch for the future connect(&m_watcher, SIGNAL(finished()), this, SLOT(calculationComplete())); } SlaterSetConcurrent::~SlaterSetConcurrent() { delete m_shells; } void SlaterSetConcurrent::setMolecule(Core::Molecule* mol) { if (!mol) return; m_set = dynamic_cast(mol->basisSet()); delete m_tools; m_tools = new SlaterSetTools(mol); } bool SlaterSetConcurrent::calculateMolecularOrbital(Core::Cube* cube, unsigned int state) { return setUpCalculation(cube, state, SlaterSetConcurrent::processOrbital); } bool SlaterSetConcurrent::calculateElectronDensity(Core::Cube* cube) { return setUpCalculation(cube, 0, SlaterSetConcurrent::processDensity); } bool SlaterSetConcurrent::calculateSpinDensity(Core::Cube* cube) { return setUpCalculation(cube, 0, SlaterSetConcurrent::processSpinDensity); } void SlaterSetConcurrent::calculationComplete() { (*m_shells)[0].tCube->lock()->unlock(); delete m_shells; m_shells = nullptr; emit finished(); } bool SlaterSetConcurrent::setUpCalculation(Core::Cube* cube, unsigned int state, void (*func)(SlaterShell&)) { if (!m_set || !m_tools) return false; m_set->initCalculation(); // Set up the points we want to calculate the density at. m_shells = new QVector(static_cast(cube->data()->size())); for (int i = 0; i < m_shells->size(); ++i) { (*m_shells)[i].tools = m_tools; (*m_shells)[i].tCube = cube; (*m_shells)[i].pos = i; (*m_shells)[i].state = state; } // Lock the cube until we are done. cube->lock()->lock(); // The main part of the mapped reduced function... m_future = QtConcurrent::map(*m_shells, func); // Connect our watcher to our future m_watcher.setFuture(m_future); return true; } void SlaterSetConcurrent::processOrbital(SlaterShell& shell) { Vector3 pos = shell.tCube->position(shell.pos); shell.tCube->setValue( shell.pos, shell.tools->calculateMolecularOrbital(pos, shell.state)); } void SlaterSetConcurrent::processDensity(SlaterShell& shell) { Vector3 pos = shell.tCube->position(shell.pos); shell.tCube->setValue(shell.pos, shell.tools->calculateElectronDensity(pos)); } void SlaterSetConcurrent::processSpinDensity(SlaterShell& shell) { Vector3 pos = shell.tCube->position(shell.pos); shell.tCube->setValue(shell.pos, shell.tools->calculateSpinDensity(pos)); } } // namespace Avogadro::QtGui avogadrolibs-1.100.0/avogadro/qtgui/slatersetconcurrent.h000066400000000000000000000040121474375334400235550ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_SLATERSETCONCURRENT_H #define AVOGADRO_QTGUI_SLATERSETCONCURRENT_H #include "avogadroqtguiexport.h" #include #include #include namespace Avogadro { namespace Core { class Cube; class Molecule; class SlaterSet; class SlaterSetTools; } // namespace Core namespace QtGui { struct SlaterShell; /** * @brief The SlaterSetConcurrent class uses SlaterSetTools to calculate values * of electronic structure properties from quantum output read in. * @author Marcus D. Hanwell */ class AVOGADROQTGUI_EXPORT SlaterSetConcurrent : public QObject { Q_OBJECT public: explicit SlaterSetConcurrent(QObject* p = nullptr); ~SlaterSetConcurrent() override; void setMolecule(Core::Molecule* mol); bool calculateMolecularOrbital(Core::Cube* cube, unsigned int state); bool calculateElectronDensity(Core::Cube* cube); bool calculateSpinDensity(Core::Cube* cube); QFutureWatcher& watcher() { return m_watcher; } signals: /** * Emitted when the calculation is complete. */ void finished(); private slots: /** * Slot to set the cube data once Qt Concurrent is done */ void calculationComplete(); private: QFuture m_future; QFutureWatcher m_watcher; Core::Cube* m_cube; QVector* m_shells; Core::SlaterSet* m_set; Core::SlaterSetTools* m_tools; bool setUpCalculation(Core::Cube* cube, unsigned int state, void (*func)(SlaterShell&)); static void processOrbital(SlaterShell& shell); static void processDensity(SlaterShell& shell); static void processSpinDensity(SlaterShell& shell); }; } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_SLATERSETCONCURRENT_H avogadrolibs-1.100.0/avogadro/qtgui/sortfiltertreeproxymodel.cpp000066400000000000000000000055111474375334400252040ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "sortfiltertreeproxymodel.h" namespace Avogadro::QtGui { // Custom class for Avogadro to handle filtering files // Directories are at most 2 levels deep until we get to files bool SortFilterTreeProxyModel::filterAcceptsRow( int sourceRow, const QModelIndex& sourceParent) const { // First we see if we're the source root node QModelIndex sourceIndex = sourceModel()->index(sourceRow, 0, sourceParent); if (!sourceIndex.isValid() || !sourceParent.isValid()) return true; // viewer will handle filtering // Make sure the root is always accepted, or we become rootless // See // http://stackoverflow.com/questions/3212392/qtreeview-qfilesystemmodel-setrootpath-and-qsortfilterproxymodel-with-regexp-fo if (m_sourceRoot.isValid() && sourceIndex == m_sourceRoot) { return true; // true root, always accept } QString data = sourceModel()->data(sourceIndex).toString(); // ignore any image files if (data.endsWith(".png")) return false; // Now we see if we're a child of the root // If not, we accept -- only filter under *our* tree // Along the way, we'll see if a parent matches the filter if (sourceParent != m_sourceRoot) { bool childOfRoot = false; QModelIndex parent = sourceParent; for (int depth = 3; depth > 0; depth--) { if (sourceModel()->data(parent).toString().contains( filterRegularExpression())) return true; // a parent matches the pattern parent = parent.parent(); if (!parent.isValid()) return true; // tree view handles filtering, and we ascended too far if (parent == m_sourceRoot) { childOfRoot = true; break; } } // OK, we've gone up the tree, did we find our root? if (!childOfRoot) return true; } // else, sourceParent is a root, so we're good to filter // Check if the data for this row matches. If so, the default is to accept if (data.contains(filterRegularExpression())) return true; // Now we have to check the child nodes // We'll show the row if any child is accepted // (i.e., if a file matches, we'll show the directory path to it) // Try to fetchMore() first sourceModel()->fetchMore(sourceIndex); for (int i = 0; i < sourceModel()->rowCount(sourceIndex); ++i) { QModelIndex subRow = sourceModel()->index(i, 0, sourceIndex); if (!subRow.isValid()) continue; QString rowData = sourceModel()->data(subRow).toString(); if (rowData.contains(filterRegularExpression())) return true; } return false; // nothing matched } } // namespace Avogadro::QtGui avogadrolibs-1.100.0/avogadro/qtgui/sortfiltertreeproxymodel.h000066400000000000000000000023171474375334400246520ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_SORTFILTERTREEPROXYMODEL_H #define AVOGADRO_QTGUI_SORTFILTERTREEPROXYMODEL_H #include "avogadroqtguiexport.h" #include namespace Avogadro::QtGui { class AVOGADROQTGUI_EXPORT SortFilterTreeProxyModel : public QSortFilterProxyModel { Q_OBJECT public: SortFilterTreeProxyModel(QObject* parent = nullptr) : QSortFilterProxyModel(parent), m_sourceRoot() { } // From http://kodeclutz.blogspot.com/2008/12/filtering-qtreeview.html bool filterAcceptsRow(int sourceRow, const QModelIndex& sourceParent) const; // This is a hack to prevent us from becoming root-less // See // http://stackoverflow.com/questions/3212392/qtreeview-qfilesystemmodel-setrootpath-and-qsortfilterproxymodel-with-regexp-fo void setSourceRoot(const QModelIndex& sourceRoot) { m_sourceRoot = sourceRoot; } private: QModelIndex m_sourceRoot; }; } // namespace Avogadro::QtGui #endif avogadrolibs-1.100.0/avogadro/qtgui/toolplugin.cpp000066400000000000000000000024131474375334400221760ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "toolplugin.h" namespace Avogadro::QtGui { ToolPlugin::ToolPlugin(QObject* parent_) : QObject(parent_) {} ToolPlugin::~ToolPlugin() {} QUndoCommand* ToolPlugin::mousePressEvent(QMouseEvent*) { return nullptr; } QUndoCommand* ToolPlugin::mouseReleaseEvent(QMouseEvent*) { return nullptr; } QUndoCommand* ToolPlugin::mouseMoveEvent(QMouseEvent*) { return nullptr; } QUndoCommand* ToolPlugin::mouseDoubleClickEvent(QMouseEvent*) { return nullptr; } QUndoCommand* ToolPlugin::wheelEvent(QWheelEvent*) { return nullptr; } QUndoCommand* ToolPlugin::keyPressEvent(QKeyEvent*) { return nullptr; } QUndoCommand* ToolPlugin::keyReleaseEvent(QKeyEvent*) { return nullptr; } void ToolPlugin::draw(Rendering::GroupNode&) {} bool ToolPlugin::handleCommand(const QString& command, const QVariantMap& options) { Q_UNUSED(command); Q_UNUSED(options); return false; } ToolPluginFactory::~ToolPluginFactory() {} } // namespace Avogadro::QtGui avogadrolibs-1.100.0/avogadro/qtgui/toolplugin.h000066400000000000000000000121551474375334400216470ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_TOOLPLUGIN_H #define AVOGADRO_QTGUI_TOOLPLUGIN_H #include "avogadroqtguiexport.h" #include class QAction; class QKeyEvent; class QMouseEvent; class QUndoCommand; class QWheelEvent; namespace Avogadro { namespace Rendering { class GroupNode; class GLRenderer; } // namespace Rendering namespace QtOpenGL { class GLWidget; } namespace QtGui { class Molecule; class RWMolecule; /** * @class ToolPlugin toolplugin.h * @brief The base class for plugins that interact with QtOpenGL::GLWidget. * @author Allison Vacanti */ class AVOGADROQTGUI_EXPORT ToolPlugin : public QObject { Q_OBJECT public: explicit ToolPlugin(QObject* parent = nullptr); ~ToolPlugin() override; /** * The name of the tool, will be displayed in the user interface. */ virtual QString name() const = 0; /** * A description of the tool, may be displayed in the user interface. */ virtual QString description() const = 0; /** * A priority of the tool for sorting in the user interface. */ virtual unsigned char priority() const = 0; /** * @return The QAction that will cause this tool to become active. */ virtual QAction* activateAction() const = 0; /** * Set the tool icon (based on dark / light theme). */ virtual void setIcon(bool darkTheme = false) = 0; /** * @return A QWidget that will be displayed to the user while this tool is * active. */ virtual QWidget* toolWidget() const = 0; /** * Respond to user-input events. * @param e The QEvent object. * @return A QUndoCommand that can be used to undo any changes to the * molecule. If no undoable change is made, the method may return nullptr. * @{ */ virtual QUndoCommand* mousePressEvent(QMouseEvent* e); virtual QUndoCommand* mouseReleaseEvent(QMouseEvent* e); virtual QUndoCommand* mouseMoveEvent(QMouseEvent* e); virtual QUndoCommand* mouseDoubleClickEvent(QMouseEvent* e); virtual QUndoCommand* wheelEvent(QWheelEvent* e); virtual QUndoCommand* keyPressEvent(QKeyEvent* e); virtual QUndoCommand* keyReleaseEvent(QKeyEvent* e); /**@}*/ /** * Override this method to add drawables to the scene graph. */ virtual void draw(Rendering::GroupNode& node); /** * Called by the app to handle a command registered by the plugin. * (e.g., "renderMovie" or "drawAtom", etc.) * * The app will turn the command into a string and pass it to the tool. * and any options will go from a JSON dictionary to a QVariantMap. * * @return true if the command was handled, false otherwise. */ virtual bool handleCommand(const QString& command, const QVariantMap& options); /** * Called by the app to tell the tool to register commands. * If the tool has commands, it should emit the registerCommand signals. */ virtual void registerCommands() {} signals: /** * Emitted when draw() needs to be called again due to updates. */ void drawablesChanged(); /** * Emitted when something changed (camera, etc) and the molecule should be * redrawn. */ void updateRequested(); /** * Register a new command with the application. The command will be available * through scripting (e.g., "renderMovie" or "generateSurface", etc.) * * @param command The name of the command to register. * @param description A description of the command. * * @sa handleCommand */ void registerCommand(QString command, QString description); /** * Request a specific display type (or types) are made active. * This can be useful when loading a specific type of data that * would be most readily viewed with a specialized view. */ void requestActiveDisplayTypes(QStringList displayTypes); public slots: /** * Called when the current molecule changes. */ virtual void setMolecule(QtGui::Molecule* mol) = 0; virtual void setEditMolecule(QtGui::RWMolecule*) {} /** * Set the GLWidget used by the tool. */ virtual void setGLWidget(QtOpenGL::GLWidget*) {} /** * Set the active widget used by the tool, this can be anything derived from * QWidget. */ virtual void setActiveWidget(QWidget*) {} /** * Set the GLRenderer used by the tool. */ virtual void setGLRenderer(Rendering::GLRenderer*) {} }; /** * @class ToolPluginFactory toolplugin.h * @brief The base class for tool plugin factories in Avogadro. * @author Allison Vacanti */ class AVOGADROQTGUI_EXPORT ToolPluginFactory { public: virtual ~ToolPluginFactory(); virtual ToolPlugin* createInstance(QObject* parent = nullptr) = 0; virtual QString identifier() const = 0; }; } // namespace QtGui } // namespace Avogadro Q_DECLARE_INTERFACE(Avogadro::QtGui::ToolPluginFactory, "org.openchemistry.avogadro.ToolPluginFactory") #endif // AVOGADRO_QTGUI_TOOLPLUGIN_H avogadrolibs-1.100.0/avogadro/qtgui/utilities.cpp000066400000000000000000000043471474375334400220250ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "utilities.h" #include #include #include namespace Avogadro::QtGui::Utilities { QString libraryDirectory() { return QString(AvogadroLibs_LIB_DIR); } QString dataDirectory() { return QString(AvogadroLibs_DATA_DIR); } QString findExecutablePath(QString program) { // we want to return the path to a program if it exists // using the PATH system environment variable QProcessEnvironment system = QProcessEnvironment::systemEnvironment(); QString path = system.value("PATH"); #ifdef Q_OS_WIN32 QStringList paths = path.split(';'); #else QStringList paths = path.split(':'); // check standard locations first paths.prepend("/usr/bin"); paths.prepend("/usr/local/bin"); #endif // check to see if we find the program in that path for (const auto& dir : paths) { QFileInfo test(dir + '/' + program); if (test.isExecutable()) { // must exist to be executable, so we're done return dir; } } return QString(); } QStringList findExecutablePaths(QStringList programs) { QStringList result; // we want to return the path to a program if it exists // using the PATH system environment variable QProcessEnvironment system = QProcessEnvironment::systemEnvironment(); QString path = system.value("PATH"); #ifdef Q_OS_WIN32 QStringList paths = path.split(';'); #else QStringList paths = path.split(':'); // check standard locations first paths.prepend("/usr/bin"); paths.prepend("/usr/local/bin"); #endif // loop through all programs and all possible paths for (const auto& program : programs) { for (const auto& dir : paths) { QFileInfo test(dir + '/' + program); if (test.isExecutable() && !result.contains(test.absoluteFilePath())) { // must exist to be executable, so add it to the list result << test.absoluteFilePath(); } } } return result; } } // namespace Avogadro::QtGui::Utilities avogadrolibs-1.100.0/avogadro/qtgui/utilities.h000066400000000000000000000017361474375334400214710ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_UTILITIES_H #define AVOGADRO_QTGUI_UTILITIES_H #include "avogadroqtguiexport.h" #include namespace Avogadro { namespace QtGui { namespace Utilities { AVOGADROQTGUI_EXPORT QString libraryDirectory(); AVOGADROQTGUI_EXPORT QString dataDirectory(); //! \return a fully-qualified path for a program or an empty string if not found AVOGADROQTGUI_EXPORT QString findExecutablePath(QString program); //! \return a list of all fully-qualified paths for programs that are found AVOGADROQTGUI_EXPORT QStringList findExecutablePaths(QStringList programs); } // namespace Utilities } // namespace QtGui } // namespace Avogadro #endif // AVOGADRO_QTGUI_UTILITIES_H avogadrolibs-1.100.0/avogadro/qtgui/viewfactory.cpp000066400000000000000000000006711474375334400223500ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "viewfactory.h" namespace Avogadro::QtGui { ViewFactory::ViewFactory() { } ViewFactory::~ViewFactory() { } } // End Avogadro namespace avogadrolibs-1.100.0/avogadro/qtgui/viewfactory.h000066400000000000000000000024341474375334400220140ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_VIEWFACTORY_H #define AVOGADRO_QTGUI_VIEWFACTORY_H #include "avogadroqtguiexport.h" #include namespace Avogadro { namespace QtGui { /** * @class ViewFactory viewfactory.h * @brief The ViewFactory class is a pure virtual that provides a method of * dynamically adding views to the MultiViewWidget class. * @author Marcus D. Hanwell */ class AVOGADROQTGUI_EXPORT ViewFactory { public: ViewFactory(); virtual ~ViewFactory(); /** * @brief Get the list of views the factory provides. * @return A list of supported views. */ virtual QStringList views() const = 0; /** * @brief Create a named view, the caller assumes ownership of the widget. * @param view The name of the view. * @return A new widget of the requested type, nullptr if none exists. */ virtual QWidget* createView(const QString& view) = 0; }; } // End QtGui namespace } // End Avogadro namespace #endif // AVOGADRO_QTGUI_VIEWFACTORY_H avogadrolibs-1.100.0/avogadro/qtopengl/000077500000000000000000000000001474375334400177765ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtopengl/CMakeLists.txt000066400000000000000000000010631474375334400225360ustar00rootroot00000000000000if(QT_VERSION EQUAL 6) find_package(Qt6 REQUIRED COMPONENTS Widgets OpenGLWidgets) else() find_package(Qt5 COMPONENTS Widgets REQUIRED) endif() add_library(QtOpenGL) avogadro_headers(QtOpenGL activeobjects.h glwidget.h qttextrenderstrategy.h ) target_sources(QtOpenGL PRIVATE activeobjects.cpp glwidget.cpp qttextrenderstrategy.cpp ) avogadro_add_library(QtOpenGL) target_link_libraries(QtOpenGL PUBLIC Avogadro::Rendering Avogadro::QtGui Qt::Widgets) if(QT_VERSION EQUAL 6) target_link_libraries(QtOpenGL PUBLIC Qt6::OpenGLWidgets) endif() avogadrolibs-1.100.0/avogadro/qtopengl/activeobjects.cpp000066400000000000000000000023661474375334400233360ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #include "activeobjects.h" #include "glwidget.h" #include namespace Avogadro::QtOpenGL { ActiveObjects::ActiveObjects() = default; ActiveObjects::~ActiveObjects() = default; ActiveObjects& ActiveObjects::instance() { static ActiveObjects singletonInstance; return singletonInstance; } GLWidget* ActiveObjects::activeGLWidget() const { return m_glWidget; } QWidget* ActiveObjects::activeWidget() const { return m_widget; } QtGui::Molecule* ActiveObjects::activeMolecule() const { return m_molecule; } void ActiveObjects::setActiveGLWidget(GLWidget* glWidget) { if (m_glWidget != glWidget) { m_widget = nullptr; m_glWidget = glWidget; emit activeGLWidgetChanged(m_glWidget); setActiveWidget(glWidget); } } void ActiveObjects::setActiveWidget(QWidget* widget) { if (m_widget != widget) { m_glWidget = nullptr; m_widget = widget; emit activeWidgetChanged(widget); } } void ActiveObjects::setActiveMolecule(QtGui::Molecule* molecule) { if (m_molecule != molecule) { m_molecule = molecule; emit activeMoleculeChanged(molecule); } } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtopengl/activeobjects.h000066400000000000000000000045071474375334400230020ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #ifndef AVOGADRO_QTOPENGL_ACTIVEOBJECTS_H #define AVOGADRO_QTOPENGL_ACTIVEOBJECTS_H #include "avogadroqtopenglexport.h" #include // #include "glwidget.h" #include class QWidget; namespace Avogadro { namespace QtGui { class Molecule; } namespace QtOpenGL { class GLWidget; /** * @class ActiveObjects activeobjects.h * @brief Singleton to provide access to active objects. * * This class provides access to the active objects in the running application. * If you write an application using the Avogadro libraries you need to keep * this class updated with changes in active objects in order for built in * features to work as expected. * * All returned objects are owned by the running application, nullptr indicates * that there is no currently active object of that type. */ class AVOGADROQTOPENGL_EXPORT ActiveObjects : public QObject { Q_OBJECT public: /** Return a reference to the singleton instance that can be queried. */ static ActiveObjects& instance(); /** Get the active GLWidget. **/ GLWidget* activeGLWidget() const; /** * Get the active widget (more general, could be GLWidget, vtkGLWidget, etc). */ QWidget* activeWidget() const; /** * Get the active molecule. */ QtGui::Molecule* activeMolecule() const; public slots: /** Set the active GLWidget. */ void setActiveGLWidget(GLWidget* glWidget); /** Set the active widget (GLWidget, vtkGLWidget, etc). */ void setActiveWidget(QWidget* widget); /** Set the active widget (GLWidget, vtkGLWidget, etc). */ void setActiveMolecule(QtGui::Molecule* molecule); signals: /** The active GL widget changed. */ void activeGLWidgetChanged(GLWidget* glWidget); /** The active widget changed (GLWidget, vtkGLWidget, etc). */ void activeWidgetChanged(QWidget* widget); /** The active molecule changed. */ void activeMoleculeChanged(QtGui::Molecule* molecule); private: ActiveObjects(); ~ActiveObjects() override; Q_DISABLE_COPY(ActiveObjects) GLWidget* m_glWidget = nullptr; QWidget* m_widget = nullptr; QtGui::Molecule* m_molecule = nullptr; }; } // namespace QtOpenGL } // namespace Avogadro #endif // AVOGADRO_QTOPENGL_ACTIVEOBJECTS_H avogadrolibs-1.100.0/avogadro/qtopengl/glwidget.cpp000066400000000000000000000200131474375334400223040ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "glwidget.h" #include "qttextrenderstrategy.h" #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtOpenGL { GLWidget::GLWidget(QWidget* p) : QOpenGLWidget(p), m_activeTool(nullptr), m_defaultTool(nullptr), m_renderTimer(nullptr) { setFocusPolicy(Qt::ClickFocus); connect(&m_scenePlugins, &QtGui::ScenePluginModel::pluginStateChanged, this, &GLWidget::updateScene); connect(&m_scenePlugins, &QtGui::ScenePluginModel::pluginConfigChanged, this, &GLWidget::updateScene); m_renderer.setTextRenderStrategy(new QtTextRenderStrategy); } GLWidget::~GLWidget() {} void GLWidget::setMolecule(QtGui::Molecule* mol) { clearScene(); if (m_molecule) disconnect(m_molecule, nullptr, nullptr, nullptr); m_molecule = mol; foreach (QtGui::ToolPlugin* tool, m_tools) tool->setMolecule(m_molecule); if (m_molecule != nullptr) { // update properties like dipole rendering QTimer::singleShot(500, m_molecule, &QtGui::Molecule::update); } connect(m_molecule, &QtGui::Molecule::changed, this, &GLWidget::updateScene); } QtGui::Molecule* GLWidget::molecule() { return m_molecule; } const QtGui::Molecule* GLWidget::molecule() const { return m_molecule; } void GLWidget::updateMolecule() { if (m_molecule != nullptr) { // update properties like dipole rendering QTimer::singleShot(500, m_molecule, &QtGui::Molecule::update); } } void GLWidget::updateScene() { // Build up the scene with the scene plugins, creating the appropriate nodes. QtGui::Molecule* mol = m_molecule; if (!mol) mol = new QtGui::Molecule(this); if (mol) { Rendering::GroupNode& node = m_renderer.scene().rootNode(); node.clear(); auto* moleculeNode = new Rendering::GroupNode(&node); QtGui::RWMolecule* rwmol = mol->undoMolecule(); foreach (QtGui::ScenePlugin* scenePlugin, m_scenePlugins.activeScenePlugins()) { auto* engineNode = new Rendering::GroupNode(moleculeNode); scenePlugin->process(*mol, *engineNode); scenePlugin->processEditable(*rwmol, *engineNode); } // Let the tools perform any drawing they need to do. if (m_activeTool) { auto* toolNode = new Rendering::GroupNode(moleculeNode); m_activeTool->draw(*toolNode); } if (m_defaultTool) { auto* toolNode = new Rendering::GroupNode(moleculeNode); m_defaultTool->draw(*toolNode); } m_renderer.resetGeometry(); update(); } if (mol != m_molecule) delete mol; } void GLWidget::clearScene() { m_renderer.scene().clear(); } void GLWidget::resetCamera() { m_renderer.resetCamera(); update(); } void GLWidget::resetGeometry() { m_renderer.resetGeometry(); } void GLWidget::setTools(const QList& toolList) { foreach (QtGui::ToolPlugin* tool, toolList) addTool(tool); } void GLWidget::addTool(QtGui::ToolPlugin* tool) { if (m_tools.contains(tool)) return; connect(tool, &QtGui::ToolPlugin::updateRequested, this, &GLWidget::requestUpdate); tool->setParent(this); tool->setGLWidget(this); tool->setActiveWidget(this); tool->setMolecule(m_molecule); tool->setGLRenderer(&m_renderer); m_tools << tool; } void GLWidget::setActiveTool(const QString& name) { foreach (QtGui::ToolPlugin* tool, m_tools) { QAction* toolAction = tool->activateAction(); if (tool->objectName() == name || (toolAction && toolAction->text() == name)) { setActiveTool(tool); return; } } } void GLWidget::setActiveTool(QtGui::ToolPlugin* tool) { if (tool == m_activeTool) return; if (m_activeTool && m_activeTool != m_defaultTool) { disconnect(m_activeTool, &QtGui::ToolPlugin::drawablesChanged, this, &GLWidget::updateScene); } if (tool) addTool(tool); m_activeTool = tool; if (m_activeTool && m_activeTool != m_defaultTool) { connect(m_activeTool, &QtGui::ToolPlugin::drawablesChanged, this, &GLWidget::updateScene); } } void GLWidget::setDefaultTool(const QString& name) { foreach (QtGui::ToolPlugin* tool, m_tools) { QAction* toolAction = tool->activateAction(); if (tool->objectName() == name || tool->name() == name || (toolAction && toolAction->text() == name)) { setDefaultTool(tool); return; } } } void GLWidget::setDefaultTool(QtGui::ToolPlugin* tool) { if (tool == m_defaultTool) return; if (m_defaultTool && m_activeTool != m_defaultTool) { disconnect(m_defaultTool, &QtGui::ToolPlugin::drawablesChanged, this, &GLWidget::updateScene); } if (tool) addTool(tool); m_defaultTool = tool; if (m_defaultTool && m_activeTool != m_defaultTool) { connect(m_defaultTool, &QtGui::ToolPlugin::drawablesChanged, this, &GLWidget::updateScene); } } void GLWidget::requestUpdate() { if (!m_renderTimer) { m_renderTimer = new QTimer(this); connect(m_renderTimer, &QTimer::timeout, this, &GLWidget::updateTimeout); m_renderTimer->setSingleShot(1000 / 30); // 30 fps m_renderTimer->start(); } } void GLWidget::updateTimeout() { if (m_renderTimer) { m_renderTimer->deleteLater(); m_renderTimer = nullptr; } update(); } void GLWidget::initializeGL() { m_renderer.initialize(); if (!m_renderer.isValid()) emit rendererInvalid(); } void GLWidget::resizeGL(int width_, int height_) { float pixelRatio = window()->windowHandle()->devicePixelRatio(); m_renderer.setPixelRatio(pixelRatio); m_renderer.resize(width_, height_); } void GLWidget::paintGL() { m_renderer.render(); } void GLWidget::mouseDoubleClickEvent(QMouseEvent* e) { e->ignore(); if (m_activeTool) m_activeTool->mouseDoubleClickEvent(e); if (m_defaultTool && !e->isAccepted()) m_defaultTool->mouseDoubleClickEvent(e); if (!e->isAccepted()) QOpenGLWidget::mouseDoubleClickEvent(e); } void GLWidget::mousePressEvent(QMouseEvent* e) { e->ignore(); if (m_activeTool) m_activeTool->mousePressEvent(e); if (m_defaultTool && !e->isAccepted()) m_defaultTool->mousePressEvent(e); if (!e->isAccepted()) QOpenGLWidget::mousePressEvent(e); } void GLWidget::mouseMoveEvent(QMouseEvent* e) { e->ignore(); if (m_activeTool) m_activeTool->mouseMoveEvent(e); if (m_defaultTool && !e->isAccepted()) m_defaultTool->mouseMoveEvent(e); if (!e->isAccepted()) QOpenGLWidget::mouseMoveEvent(e); } void GLWidget::mouseReleaseEvent(QMouseEvent* e) { e->ignore(); if (m_activeTool) m_activeTool->mouseReleaseEvent(e); if (m_defaultTool && !e->isAccepted()) m_defaultTool->mouseReleaseEvent(e); if (!e->isAccepted()) QOpenGLWidget::mouseReleaseEvent(e); } void GLWidget::wheelEvent(QWheelEvent* e) { e->ignore(); if (m_activeTool) m_activeTool->wheelEvent(e); if (m_defaultTool && !e->isAccepted()) m_defaultTool->wheelEvent(e); if (!e->isAccepted()) QOpenGLWidget::wheelEvent(e); } void GLWidget::keyPressEvent(QKeyEvent* e) { e->ignore(); if (m_activeTool) m_activeTool->keyPressEvent(e); if (m_defaultTool && !e->isAccepted()) m_defaultTool->keyPressEvent(e); if (!e->isAccepted()) QOpenGLWidget::keyPressEvent(e); } void GLWidget::keyReleaseEvent(QKeyEvent* e) { e->ignore(); if (m_activeTool) m_activeTool->keyReleaseEvent(e); if (m_defaultTool && !e->isAccepted()) m_defaultTool->keyReleaseEvent(e); if (!e->isAccepted()) QOpenGLWidget::keyReleaseEvent(e); } } // namespace Avogadro::QtOpenGL avogadrolibs-1.100.0/avogadro/qtopengl/glwidget.h000066400000000000000000000133261474375334400217620ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTOPENGL_GLWIDGET_H #define AVOGADRO_QTOPENGL_GLWIDGET_H #include "avogadroqtopenglexport.h" #include #include #include #include #if QT_VERSION >= 0x060000 #include #else #include #endif class QTimer; namespace Avogadro { namespace QtGui { class Molecule; } namespace QtOpenGL { /** * @class GLWidget glwidget.h * @brief QOpenGLGLWidget derived object for displaying 3D molecular geometry. * @author Marcus D. Hanwell * * This class creates the GL context, and contains a renderer to render the * 3D molecular geometry. * * The GLWidget also manages a collection of ToolPlugins that are used to * respond to user input events. Use setTools() or addTool() to add tools to the * widget. Use setActiveTool() to indicate which tool is active. The active tool * will be given the opportunity to handle input events first. If the active * tool does not handle the event, the default tool will be used. If the default * tool also ignores the event, it will be passed to QOpenGLWidget's handlers. */ class AVOGADROQTOPENGL_EXPORT GLWidget : public QOpenGLWidget { Q_OBJECT public: explicit GLWidget(QWidget* parent = nullptr); ~GLWidget() override; /** Set the molecule the widget will render. */ void setMolecule(QtGui::Molecule* molecule); /** * Get the molecule being rendered by the widget. * @{ */ QtGui::Molecule* molecule(); const QtGui::Molecule* molecule() const; /** @}*/ /** Get a reference to the renderer for the widget. */ Rendering::GLRenderer& renderer() { return m_renderer; } /** * @return A list of the ToolPlugins owned by the GLWidget. */ QList tools() const { return m_tools; } /** * @return The active tool. */ QtGui::ToolPlugin* activeTool() const { return m_activeTool; } /** * @return The default tool. */ QtGui::ToolPlugin* defaultTool() const { return m_defaultTool; } /** * Get the GLWidget's ScenePluginModel, used to add, delete and modify the * scene plugin items. * @{ */ QtGui::ScenePluginModel& sceneModel() { return m_scenePlugins; } const QtGui::ScenePluginModel& sceneModel() const { return m_scenePlugins; } /** @}*/ /** * Check if the GLWidget was able to acquire a context, and set up the * renderer correctly. If not valid, the error method may provide more * information. * @return true if value, false if not. */ bool isValid() const { return m_renderer.isValid(); } /** * Get the error(s), if any, encountered when setting up the GLWidget. * @return A free form string containing errors encountered. */ QString error() const { return m_renderer.error().c_str(); } signals: void rendererInvalid(); public slots: /** * Update the scene plugins for the widget, this will generate geometry in * the scene etc. */ void updateScene(); /** * Request update of molecule properties (e.g., dipole moment) */ void updateMolecule(); /** * Clear the contents of the scene. */ void clearScene(); /** Reset the view to fit the entire scene. */ void resetCamera(); /** Reset the geometry when the molecule etc changes. */ void resetGeometry(); /** * Make the tools in toolList available to the GLWidget. The GLWidget takes * ownership of the tools. */ void setTools(const QList& toolList); /** * Make tool available to the GLWidget. The GLWidget takes ownership of the * tool. */ void addTool(QtGui::ToolPlugin* tool); /** * Set the active tool. This is the tool that will be used to handle input * events first. * @{ */ void setActiveTool(const QString& name); void setActiveTool(QtGui::ToolPlugin* tool); /**@}*/ /** * Set the default tool. This is the tool that will be used to handle input * events that are ignored by the active tool. * @{ */ void setDefaultTool(const QString& name); void setDefaultTool(QtGui::ToolPlugin* tool); /**@}*/ /** * Request an update, this will by default initiate a timer that will trigger * in a specified time, enabling us to compress multiple events such as * camera moves to maintain interactivity. */ void requestUpdate(); protected slots: /** * Perform the update of the render, this should only be called by the timer. */ void updateTimeout(); protected: /** This is where the GL context is initialized. */ void initializeGL() override; /** Take care of resizing the context. */ void resizeGL(int width, int height) override; /** Main entry point for all GL rendering. */ void paintGL() override; /** Reimplemented from QOpenGLWidget @{ */ void mouseDoubleClickEvent(QMouseEvent*) override; void mousePressEvent(QMouseEvent*) override; void mouseMoveEvent(QMouseEvent*) override; void mouseReleaseEvent(QMouseEvent*) override; void wheelEvent(QWheelEvent*) override; void keyPressEvent(QKeyEvent*) override; void keyReleaseEvent(QKeyEvent*) override; /** @} */ private: QPointer m_molecule; QList m_tools; QtGui::ToolPlugin* m_activeTool; QtGui::ToolPlugin* m_defaultTool; Rendering::GLRenderer m_renderer; QtGui::ScenePluginModel m_scenePlugins; QTimer* m_renderTimer; }; } // namespace QtOpenGL } // namespace Avogadro #endif // AVOGADRO_QTOPENGL_GLWIDGET_H avogadrolibs-1.100.0/avogadro/qtopengl/qttextrenderstrategy.cpp000066400000000000000000000165341474375334400250270ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "qttextrenderstrategy.h" #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::Rendering::TextProperties; namespace { inline Qt::Alignment textPropertiesToAlignment(const TextProperties& prop) { // This is initialized with no flags set as we want, no need to initialize. Qt::Alignment result; switch (prop.hAlign()) { default: case TextProperties::HLeft: result |= Qt::AlignLeft; break; case TextProperties::HCenter: result |= Qt::AlignHCenter; break; case TextProperties::HRight: result |= Qt::AlignRight; break; } switch (prop.vAlign()) { default: case TextProperties::VTop: result |= Qt::AlignTop; break; case TextProperties::VCenter: result |= Qt::AlignVCenter; break; case TextProperties::VBottom: result |= Qt::AlignBottom; break; } return result; } inline QFont textPropertiesToQFont(const TextProperties& prop) { QString family; switch (prop.fontFamily()) { case TextProperties::SansSerif: #ifndef Q_OS_MAC family = "SansSerif"; #else family = QApplication::font().family(); #endif break; case TextProperties::Serif: #ifndef Q_OS_MAC family = "serif"; #else family = "Times"; #endif break; case TextProperties::Mono: #ifndef Q_OS_MAC family = "mono"; #else family = "Menlo"; #endif break; default: qWarning() << "Unknown font family id: " << prop.fontFamily() << "Defaulting to SansSerif."; family = QApplication::font().family(); } TextProperties::FontStyles style = prop.fontStyles(); QFont result(family, static_cast(prop.pixelHeight()) / 2 + 1, static_cast(style & TextProperties::Bold) ? QFont::Bold : QFont::Normal, static_cast(style & TextProperties::Italic)); result.setUnderline(static_cast(style & TextProperties::Underline)); // Scale the font size to match the specified pixel height: QFontMetricsF metrics(result); int iterLimiter = 0; // no more than 5 iterations below: do { result.setPointSizeF(result.pointSizeF() * static_cast(prop.pixelHeight()) / metrics.height()); metrics = QFontMetricsF(result); } while ( std::fabs(metrics.height() - static_cast(prop.pixelHeight())) > static_cast(0.5) && iterLimiter++ < 5); return result; } } // namespace namespace Avogadro::QtOpenGL { QtTextRenderStrategy::QtTextRenderStrategy() {} QtTextRenderStrategy::~QtTextRenderStrategy() {} Rendering::TextRenderStrategy* QtTextRenderStrategy::newInstance() const { return new QtTextRenderStrategy; } void QtTextRenderStrategy::boundingBox(const std::string& string, const Rendering::TextProperties& tprop, int bbox[]) const { QRect rect; const QFont font(textPropertiesToQFont(tprop)); const Qt::Alignment align(textPropertiesToAlignment(tprop)); rect = QFontMetrics(font).boundingRect(rect, align, QString::fromStdString(string)); // Rotate if needed if (tprop.rotationDegreesCW() != 0.f) { // Build transformation QTransform transform; transform.rotate(static_cast(-tprop.rotationDegreesCW())); // Transform a floating point representation of the bbox QRectF tmpRect(rect); tmpRect = transform.mapRect(tmpRect); // Update the bbox, rounding values to give the largest containing bbox rect.setLeft(static_cast(std::floor(tmpRect.left()))); rect.setRight(static_cast(std::floor(tmpRect.right()))); rect.setTop(static_cast(std::ceil(tmpRect.top()))); rect.setBottom(static_cast(std::floor(tmpRect.bottom()))); } bbox[0] = rect.left(); bbox[1] = rect.right(); bbox[2] = rect.top(); bbox[3] = rect.bottom(); } void QtTextRenderStrategy::render(const std::string& string, const Rendering::TextProperties& tprop, unsigned char* buffer, const Vector2i& dims) const { // Convert inputs to Qt QString str = QString::fromStdString(string); Qt::Alignment flags = textPropertiesToAlignment(tprop); QFont font = textPropertiesToQFont(tprop); // Construct our target image to use the input buffer and clear it. QImage target(buffer, dims[0], dims[1], QImage::Format_ARGB32_Premultiplied); target.fill(qRgba(0, 0, 0, 0)); // Painter setup QPainter painter(&target); painter.setFont(font); // Get a tight bbox for the text without rotations: QRectF textRect(painter.boundingRect(QRectF(), flags, str)); // Undo any alignment translations of the bbox. textRect.translate(-textRect.topLeft()); // Apply rotation, if any auto rot(static_cast(tprop.rotationDegreesCW())); if (rot != 0.f) { // Rotate the painter: painter.rotate(static_cast(rot)); // Convert the bbox into a polygon and rotate it QPolygonF textCorners(textRect); textCorners = painter.transform().map(textCorners); // Find the new origin in the rotated space: QPointF newOrigin(-textCorners.boundingRect().topLeft()); // Rotate the point back (drawText will reapply the rotation) newOrigin = painter.transform().inverted().map(newOrigin); // Account for the rotation in the bbox: textRect.translate(newOrigin); } // Draw the text painter.setPen( QColor(tprop.red(), tprop.green(), tprop.blue(), tprop.alpha())); painter.drawText(textRect, flags, str); painter.end(); // Convert the buffer from ARGB --> RGBA for openGL by default if (!m_preserveArgb) argbToRgba(buffer, dims[0] * dims[1]); } namespace { template inline void argbToRgbaWorker(quint32 in, quint32& out) { Q_UNUSED(in) Q_UNUSED(out) qWarning("QtTextRenderStrategy::argbToRgba: Invalid byte order."); } template <> inline void argbToRgbaWorker(quint32 in, quint32& out) { out = ((in >> 24) & 0xff) | (in << 8); } template <> inline void argbToRgbaWorker(quint32 in, quint32& out) { out = ((in << 16) & 0xff0000) | ((in >> 16) & 0xff) | (in & 0xff00ff00); } } // namespace void QtTextRenderStrategy::argbToRgba(unsigned char* buffer, size_t pixels) { // Adapted from QGLWidget::convertToGLFormat to perform the conversion // in-place. // input: 0xAARRGGBB // output: 0xRRGGBBAA (big endian) // output: 0xAABBGGRR (little endian) auto* cur = reinterpret_cast(buffer); quint32* end = &cur[pixels]; while (cur < end) { // Ignore empty pixels if (*cur) argbToRgbaWorker(*cur, *cur); cur++; } } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtopengl/qttextrenderstrategy.h000066400000000000000000000034721474375334400244710ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_QTTEXTRENDERSTRATEGY_H #define AVOGADRO_QTGUI_QTTEXTRENDERSTRATEGY_H #include "avogadroqtopenglexport.h" #include #include namespace Avogadro { namespace QtOpenGL { /** * @class QtTextRenderStrategy qttextrenderstrategy.h * * @brief The QtTextRenderStrategy class uses the Qt toolkit to render text. */ class AVOGADROQTOPENGL_EXPORT QtTextRenderStrategy : public Rendering::TextRenderStrategy { public: QtTextRenderStrategy(); ~QtTextRenderStrategy() override; TextRenderStrategy* newInstance() const override; void boundingBox(const std::string& string, const Rendering::TextProperties& tprop, int bbox[4]) const override; void render(const std::string& string, const Rendering::TextProperties& tprop, unsigned char* buffer, const Vector2i& dims) const override; /** * Keep the buffer as a QImage::Format_ARGB32_Premultiplied image. Useful * for testing. * @note The result buffer may or may not actually be ARGB ordered depending * on system endianness. See the QImage docs for more info. * @{ */ bool preserveArgb() const { return m_preserveArgb; } void setPreserveArgb(bool b) { m_preserveArgb = b; } /** @} */ private: static void argbToRgba(unsigned char* buffer, size_t pixels); bool m_preserveArgb; }; } // namespace QtOpenGL } // namespace Avogadro #endif // AVOGADRO_QTOPENGL_QTTEXTRENDERSTRATEGY_H avogadrolibs-1.100.0/avogadro/qtplugins/000077500000000000000000000000001474375334400201735ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/3dmol/000077500000000000000000000000001474375334400212115ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/3dmol/3dmol.cpp000066400000000000000000000032641474375334400227400ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright 2016 Barry E Moore II This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #include "3dmol.h" #include "3dmoldialog.h" #include #include namespace Avogadro::QtPlugins { ThreeDMol::ThreeDMol(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_action(new QAction(this)), m_dialog(nullptr), m_molecule(nullptr) { m_action->setEnabled(true); m_action->setText("&3DMol HTML Snippet…"); connect(m_action, SIGNAL(triggered()), SLOT(showDialog())); } QString ThreeDMol::description() const { return tr("3DMol HTML Block."); } QList ThreeDMol::actions() const { return QList() << m_action; } QStringList ThreeDMol::menuPath(QAction*) const { return QStringList() << tr("&File") << tr("&Export"); } void ThreeDMol::setMolecule(QtGui::Molecule* mol) { if (mol == m_molecule) return; m_molecule = mol; if (m_dialog) m_dialog->setMolecule(m_molecule); } void ThreeDMol::showDialog() { if (!m_dialog) { m_dialog = new ThreeDMolDialog(m_molecule, qobject_cast(this->parent())); } m_dialog->show(); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/3dmol/3dmol.h000066400000000000000000000031151474375334400224000ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright 2016 Barry E Moore II This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_ThreeDMOL_H #define AVOGADRO_QTPLUGINS_ThreeDMOL_H #include namespace Avogadro { namespace Core { class Molecule; } namespace QtPlugins { class ThreeDMolDialog; /** * @brief The ThreeDMol class is an extension to launch * a ThreeDMolDialog. */ class ThreeDMol : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit ThreeDMol(QObject* parent_ = nullptr); ~ThreeDMol() override = default; QString name() const override { return tr("ThreeDMol"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; private slots: void showDialog(); private: QAction* m_action; ThreeDMolDialog* m_dialog; QtGui::Molecule* m_molecule; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_ThreeDMOLEXTENSION_H avogadrolibs-1.100.0/avogadro/qtplugins/3dmol/3dmoldialog.cpp000066400000000000000000000066571474375334400241310ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright 2016 Barry E Moore II This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #include "3dmoldialog.h" #include "ui_3dmoldialog.h" #include #include #include #include #include using Avogadro::QtGui::Molecule; namespace Avogadro::QtPlugins { ThreeDMolDialog::ThreeDMolDialog(QtGui::Molecule* mol, QWidget* parent_) : QDialog(parent_), m_molecule(nullptr), m_ui(new Ui::ThreeDMolDialog) { m_ui->setupUi(this); setMolecule(mol); } ThreeDMolDialog::~ThreeDMolDialog() { delete m_ui; } void ThreeDMolDialog::setMolecule(QtGui::Molecule* mol) { if (mol == m_molecule) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; if (!m_molecule) return; connect(m_molecule, SIGNAL(changed(unsigned int)), SLOT(updateLabels())); connect(m_molecule, SIGNAL(destroyed()), SLOT(moleculeDestroyed())); connect(m_ui->closeButton, SIGNAL(clicked()), SLOT(close())); connect(m_ui->copyButton, SIGNAL(clicked()), SLOT(copyToClipboard())); updateLabels(); } void ThreeDMolDialog::updateLabels() { if (m_molecule) { updateTextBrowser(); } else { m_ui->plainTextEdit->clear(); } } void ThreeDMolDialog::updateTextBrowser() { QString text = "\n"; // MDL representation std::string mol; bool writeSDF = Io::FileFormatManager::instance().writeString(*m_molecule, mol, "sdf"); text.append("
\n"); else text.append(" data-type='xyz' data-backgroundcolor='0xffffff' " "data-style='stick'>\n"); text.append(""); m_ui->plainTextEdit->setPlainText(text); } void ThreeDMolDialog::moleculeDestroyed() { m_molecule = nullptr; updateLabels(); } void ThreeDMolDialog::copyToClipboard() { QApplication::clipboard()->setText(m_ui->plainTextEdit->toPlainText()); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/3dmol/3dmoldialog.h000066400000000000000000000032521474375334400235620ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright 2016 Barry E Moore II This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #ifndef AVOGADRO_QTGUI_ThreeDMOLDIALOG_H #define AVOGADRO_QTGUI_ThreeDMOLDIALOG_H #include namespace Avogadro { namespace QtGui { class Molecule; } namespace QtPlugins { namespace Ui { class ThreeDMolDialog; } /** * @class ThreeDMolDialog 3dmoldialog.h * @brief The ThreeDMolDialog class provides a dialog which displays * basic molecular properties. * @author Barry E. Moore II * * @todo IUPAC name fetch (need inchi key). */ class ThreeDMolDialog : public QDialog { Q_OBJECT public: explicit ThreeDMolDialog(QtGui::Molecule* mol, QWidget* parent_ = nullptr); ~ThreeDMolDialog() override; QtGui::Molecule* molecule() { return m_molecule; } public slots: void setMolecule(QtGui::Molecule* mol); private slots: void updateLabels(); void updateTextBrowser(); void moleculeDestroyed(); void copyToClipboard(); private: QtGui::Molecule* m_molecule; Ui::ThreeDMolDialog* m_ui; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTGUI_ThreeDMOLDIALOG_H avogadrolibs-1.100.0/avogadro/qtplugins/3dmol/3dmoldialog.ui000066400000000000000000000026351474375334400237540ustar00rootroot00000000000000 Avogadro::QtPlugins::ThreeDMolDialog true 0 0 370 257 3DMol HTML Snippet true &Copy to Clipboard Ctrl+C Close avogadrolibs-1.100.0/avogadro/qtplugins/3dmol/CMakeLists.txt000066400000000000000000000002301474375334400237440ustar00rootroot00000000000000avogadro_plugin(ThreeDMol "The 3DMol HTML Block Generator" ExtensionPlugin 3dmol.h ThreeDMol "3dmol.cpp;3dmoldialog.cpp" "3dmoldialog.ui" ) avogadrolibs-1.100.0/avogadro/qtplugins/CMakeLists.txt000066400000000000000000000175611474375334400227450ustar00rootroot00000000000000find_package(Qt${QT_VERSION} COMPONENTS Widgets Network Concurrent REQUIRED) if(QT_VERSION EQUAL 6) find_package(Qt6 COMPONENTS OpenGLWidgets REQUIRED) endif() if(WIN32) # used for HTTPS (e.g., PQR, downloads, etc.) find_package(OpenSSL REQUIRED) endif() set(CMAKE_INCLUDE_CURRENT_DIR ON) # Modify the output directory for the build tree. set(original_library_output_dir "${CMAKE_LIBRARY_OUTPUT_DIRECTORY}") set(CMAKE_LIBRARY_OUTPUT_DIRECTORY "${original_library_output_dir}/avogadro2/plugins") set(CMAKE_ARCHIVE_OUTPUT_DIRECTORY "${original_library_output_dir}/avogadro2/staticplugins") # Optionally build all plugins statically. option(BUILD_STATIC_PLUGINS "Build static plugins by default" ON) # Allow GPL plugins to be disabled. option(BUILD_GPL_PLUGINS "Build plugins that are licensed under the GNU Public License." OFF) # Create a plugin for Avogadro. # name is the name of the plugin, this will be the name of the target created. # description Free text description of the plugin. # type The base class of the plugin. # header is the header(s) for the class to be instantiated for the plugin. # pluginClass is the class to be instantiated for the plugin. # sources is the list of source files for the plugin. # uis is the list of UI files that need to be compiled (optional). # rcs is the list of qrc files that need to be compiled (optional). function(avogadro_plugin name description type header pluginClass sources) set(uis "") set(rcs "") if(${ARGC} GREATER 6) set(uis ${ARGV6}) endif() if(${ARGC} GREATER 7) set(rcs ${ARGV7}) endif() qt_wrap_ui(ui_srcs ${uis}) qt_add_resources(rc_srcs ${rcs}) unset(PluginIncludes) foreach(_header ${header}) set(PluginIncludes "${PluginIncludes}#include \"${CMAKE_CURRENT_SOURCE_DIR}/${_header}\"\n") endforeach() set(PluginName "${name}") set(PluginDescription "${description}") set(PluginType "${type}") set(PluginClass "${pluginClass}") configure_file("${AvogadroLibs_SOURCE_DIR}/cmake/avogadroplugin.cpp.in" "${CMAKE_CURRENT_BINARY_DIR}/${name}Plugin.cpp") # Figure out which type of plugin is being added, and put it in the right list if(BUILD_STATIC_PLUGINS) set(_plugin_object "STATIC") set_property(GLOBAL APPEND PROPERTY AvogadroLibs_STATIC_PLUGINS ${name}) if(rcs) get_filename_component(_name_we ${rcs} NAME_WE) set_property(GLOBAL APPEND PROPERTY AvogadroLibs_STATIC_RCS ${_name_we}) endif() else() set(_plugin_object "MODULE") set_property(GLOBAL APPEND PROPERTY AvogadroLibs_PLUGINS ${name}) endif() add_library(${name} ${_plugin_object} ${sources} ${ui_srcs} ${rc_srcs} ${name}Plugin.cpp ) target_link_libraries(${name} PRIVATE Avogadro::QtGui) if("${_plugin_object}" STREQUAL "STATIC") set_target_properties(${name} PROPERTIES COMPILE_DEFINITIONS "QT_STATICPLUGIN") if(UNIX) set_target_properties(${name} PROPERTIES POSITION_INDEPENDENT_CODE ON) endif() endif() set_target_properties(${name} PROPERTIES AUTOMOC TRUE PREFIX "") install(TARGETS ${name} EXPORT "AvogadroLibsTargets" RUNTIME DESTINATION "${INSTALL_RUNTIME_DIR}" LIBRARY DESTINATION "${INSTALL_LIBRARY_DIR}/avogadro2/plugins" ARCHIVE DESTINATION "${INSTALL_ARCHIVE_DIR}/avogadro2/staticplugins") endfunction() # Now to make the plugins. add_subdirectory(3dmol) add_subdirectory(alchemy) add_subdirectory(aligntool) add_subdirectory(apbs) add_subdirectory(applycolors) add_subdirectory(bondcentrictool) add_subdirectory(bonding) add_subdirectory(cartoons) add_subdirectory(centroid) add_subdirectory(configurepython) add_subdirectory(coordinateeditor) add_subdirectory(copypaste) add_subdirectory(cp2kinput) add_subdirectory(crystal) add_subdirectory(customelements) add_subdirectory(dipole) add_subdirectory(editor) add_subdirectory(fetchpdb) add_subdirectory(focus) add_subdirectory(forcefield) add_subdirectory(gamessinput) add_subdirectory(hydrogens) add_subdirectory(importpqr) add_subdirectory(insertdna) add_subdirectory(insertfragment) add_subdirectory(label) add_subdirectory(lammpsinput) add_subdirectory(lineformatinput) add_subdirectory(manipulator) add_subdirectory(measuretool) add_subdirectory(molecularproperties) add_subdirectory(navigator) add_subdirectory(networkdatabases) add_subdirectory(openbabel) add_subdirectory(openmminput) add_subdirectory(playertool) add_subdirectory(ply) add_subdirectory(povray) add_subdirectory(propertytables) add_subdirectory(resetview) add_subdirectory(select) add_subdirectory(selectiontool) if(USE_SPGLIB) add_subdirectory(spacegroup) endif() add_subdirectory(surfaces) add_subdirectory(svg) add_subdirectory(templatetool) add_subdirectory(vibrations) add_subdirectory(vrml) # Plugins that require VTK if(USE_VTK) add_subdirectory(coloropacitymap) add_subdirectory(spectra) add_subdirectory(plotpdf) add_subdirectory(plotrmsd) add_subdirectory(plotxrd) if(USE_SPGLIB) add_subdirectory(yaehmop) endif() endif() # script plugins (input generators, etc.) add_subdirectory(commandscripts) add_subdirectory(quantuminput) add_subdirectory(scriptcharges) add_subdirectory(scriptfileformats) if(USE_LIBARCHIVE) add_subdirectory(plugindownloader) endif() if(USE_LIBMSYM AND QT_VERSION EQUAL 5) # QStyleOptionViewItemV4 is not in Qt6, needs investigation add_subdirectory(symmetry) endif() # The scene plugins add_subdirectory(ballandstick) add_subdirectory(closecontacts) add_subdirectory(force) add_subdirectory(licorice) add_subdirectory(meshes) add_subdirectory(noncovalent) add_subdirectory(vanderwaals) add_subdirectory(wireframe) if (USE_OPENGL) # needs some raw OpenGL code add_subdirectory(overlayaxes) endif() # other optional plugins if(BUILD_GPL_PLUGINS AND QT_VERSION EQUAL 5) # qtaimcurvature.h/cpp contains GPL licensed code: add_subdirectory(qtaim) endif() set(CMAKE_LIBRARY_OUTPUT_DIRECTORY "${original_library_output_dir}") # Add all of the static plugins to the initialization file. get_property(AvogadroLibs_STATIC_PLUGINS GLOBAL PROPERTY AvogadroLibs_STATIC_PLUGINS) get_property(AvogadroLibs_STATIC_RCS GLOBAL PROPERTY AvogadroLibs_STATIC_RCS) file(WRITE "${CMAKE_CURRENT_BINARY_DIR}/avogadrostaticqtplugins.h.in" "// Automatically generated file. Do not edit. #ifndef AVOGADRO_STATIC_QTPLUGINS_H #define AVOGADRO_STATIC_QTPLUGINS_H #include \n\n") foreach(_plugin ${AvogadroLibs_STATIC_PLUGINS}) file(APPEND "${CMAKE_CURRENT_BINARY_DIR}/avogadrostaticqtplugins.h.in" "Q_IMPORT_PLUGIN(${_plugin}Factory)\n") endforeach() file(APPEND "${CMAKE_CURRENT_BINARY_DIR}/avogadrostaticqtplugins.h.in" "\nvoid initAvogadroPluginResources() {\n") foreach(_rcs ${AvogadroLibs_STATIC_RCS}) file(APPEND "${CMAKE_CURRENT_BINARY_DIR}/avogadrostaticqtplugins.h.in" " Q_INIT_RESOURCE(${_rcs});\n") endforeach() file(APPEND "${CMAKE_CURRENT_BINARY_DIR}/avogadrostaticqtplugins.h.in" "}\n\n") file(APPEND "${CMAKE_CURRENT_BINARY_DIR}/avogadrostaticqtplugins.h.in" "\n#endif // AVOGADRO_STATIC_QTPLUGINS_H\n") # Configure the static plugin header, ensuring it only changes if the contents # are modified - otherwise the original timestamp will be maintained. configure_file("${CMAKE_CURRENT_BINARY_DIR}/avogadrostaticqtplugins.h.in" "${CMAKE_CURRENT_BINARY_DIR}/avogadrostaticqtplugins.h") # Now to build the plugin library, which can also statically link plugins # and initialize them for the application. If Avogadro is built statically # then the static plugin header must be included by the application. add_library(QtPlugins) avogadro_headers(QtPlugins pluginmanager.h pluginfactory.h "${CMAKE_CURRENT_BINARY_DIR}/avogadrostaticqtplugins.h" ) target_sources(QtPlugins PRIVATE pluginmanager.cpp ) avogadro_add_library(QtPlugins ${HEADERS} ${SOURCES}) target_link_libraries(QtPlugins PUBLIC Qt::Core PRIVATE ${AvogadroLibs_STATIC_PLUGINS} Avogadro::QtGui Avogadro::Calc) if(QT_VERSION EQUAL 6) target_link_libraries(QtPlugins PRIVATE Qt6::OpenGLWidgets Qt6::Network) endif() avogadrolibs-1.100.0/avogadro/qtplugins/alchemy/000077500000000000000000000000001474375334400216155ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/alchemy/CMakeLists.txt000066400000000000000000000002351474375334400243550ustar00rootroot00000000000000include_directories(${CMAKE_CURRENT_BINARY_DIR}) avogadro_plugin(Alchemy "Change elements" ExtensionPlugin alchemy.h Alchemy "alchemy.cpp" "" ) avogadrolibs-1.100.0/avogadro/qtplugins/alchemy/alchemy.cpp000066400000000000000000000044341474375334400237500ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "alchemy.h" #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using Core::Array; using Core::Elements; Alchemy::Alchemy(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_action(new QAction(tr("Change Elements…"), this)), m_molecule(nullptr) { m_action->setProperty("menu priority", 750); connect(m_action, &QAction::triggered, this, &Alchemy::changeElements); } Alchemy::~Alchemy() {} QList Alchemy::actions() const { QList result; return result << m_action; } QStringList Alchemy::menuPath(QAction*) const { return QStringList() << tr("&Build"); } void Alchemy::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void Alchemy::changeElements() { if (!m_molecule) return; // assemble the list of elements QStringList choices; for (unsigned char i = 0; i < Elements::elementCount(); ++i) { QString choice("%1: %2"); choice = choice.arg(i).arg(Elements::name(i)); choices << choice; } // get the element of the first selected atom unsigned char firstElement = 0; for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (m_molecule->atomSelected(i)) { firstElement = m_molecule->atom(i).atomicNumber(); break; } } bool ok = false; QString currentChoice = QInputDialog::getItem( qobject_cast(parent()), tr("Change Elements"), tr("Element:"), choices, static_cast(firstElement), false, &ok); if (!ok) return; unsigned char newElement = currentChoice.section(':', 0, 0).toUShort(); // loop through the selected atoms and change their elements for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (m_molecule->atomSelected(i)) m_molecule->atom(i).setAtomicNumber(newElement); } m_molecule->emitChanged(QtGui::Molecule::Atoms); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/alchemy/alchemy.h000066400000000000000000000024171474375334400234140ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_ALCHEMY_H #define AVOGADRO_QTPLUGINS_ALCHEMY_H #include #include #include namespace Ui { class BondingDialog; } namespace Avogadro { namespace QtPlugins { /** * @brief The Bonding class performs bonding operations on demand. */ class Alchemy : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit Alchemy(QObject* parent_ = nullptr); ~Alchemy() override; QString name() const override { return tr("Alchemy"); } QString description() const override { return tr("Change elements of atoms."); } QList actions() const override; QStringList menuPath(QAction* action) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; private slots: void changeElements(); private: QtGui::Molecule* m_molecule; QAction* m_action; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_ALCHEMY_H avogadrolibs-1.100.0/avogadro/qtplugins/aligntool/000077500000000000000000000000001474375334400221635ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/aligntool/CMakeLists.txt000066400000000000000000000011041474375334400247170ustar00rootroot00000000000000if(QT_VERSION EQUAL 6) find_package(Qt6 COMPONENTS Gui REQUIRED) else() find_package(Qt5 COMPONENTS Widgets REQUIRED) endif() set(aligntool_srcs aligntool.cpp ) set(aligntool_uis ) set(aligntool_rcs aligntool.qrc ) avogadro_plugin(AlignTool "AlignTool" ToolPlugin aligntool.h AlignTool "${aligntool_srcs}" "${aligntool_uis}" "${aligntool_rcs}" ) target_link_libraries(AlignTool PRIVATE Avogadro::QtOpenGL) if(QT_VERSION EQUAL 6) target_link_libraries(AlignTool PRIVATE Qt6::Gui) else() target_link_libraries(AlignTool PRIVATE Qt5::Widgets) endif() avogadrolibs-1.100.0/avogadro/qtplugins/aligntool/align_dark.svg000066400000000000000000000401371474375334400250040ustar00rootroot00000000000000 avogadrolibs-1.100.0/avogadro/qtplugins/aligntool/align_light.svg000066400000000000000000000402041474375334400251650ustar00rootroot00000000000000 avogadrolibs-1.100.0/avogadro/qtplugins/aligntool/aligntool.cpp000066400000000000000000000246431474375334400246700ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "aligntool.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::Core::Elements; using Avogadro::Rendering::GeometryNode; using Avogadro::Rendering::Identifier; using Avogadro::Rendering::TextLabel3D; using Avogadro::Rendering::TextProperties; namespace Avogadro::QtPlugins { AlignTool::AlignTool(QObject* parent_) : QtGui::ToolPlugin(parent_), m_activateAction(new QAction(this)), m_molecule(nullptr), m_toolWidget(nullptr), m_renderer(nullptr), m_alignType(0), m_axis(0) { m_activateAction->setText(tr("Align")); m_activateAction->setToolTip( tr("Align Molecules\n\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin.")); setIcon(); } AlignTool::~AlignTool() { if (m_toolWidget) m_toolWidget->deleteLater(); } void AlignTool::setIcon(bool darkTheme) { if (darkTheme) m_activateAction->setIcon(QIcon(":/icons/align_dark.svg")); else m_activateAction->setIcon(QIcon(":/icons/align_light.svg")); } QWidget* AlignTool::toolWidget() const { if (!m_toolWidget) { m_toolWidget = new QWidget; auto* labelAxis = new QLabel(tr("Axis:"), m_toolWidget); labelAxis->setSizePolicy(QSizePolicy::Preferred, QSizePolicy::Preferred); labelAxis->setMaximumHeight(15); // Combo box to select desired aixs to align to auto* comboAxis = new QComboBox(m_toolWidget); comboAxis->addItem("x"); comboAxis->addItem("y"); comboAxis->addItem("z"); comboAxis->setCurrentIndex(m_axis); // Button to actually perform actions auto* buttonAlign = new QPushButton(m_toolWidget); buttonAlign->setText(tr("Align")); connect(buttonAlign, SIGNAL(clicked()), this, SLOT(align())); auto* gridLayout = new QGridLayout(); gridLayout->addWidget(labelAxis, 0, 0, 1, 1, Qt::AlignRight); auto* hLayout = new QHBoxLayout; hLayout->addWidget(comboAxis); hLayout->addStretch(1); gridLayout->addLayout(hLayout, 0, 1); auto* hLayout3 = new QHBoxLayout(); hLayout3->addStretch(1); hLayout3->addWidget(buttonAlign); hLayout3->addStretch(1); auto* layout = new QVBoxLayout(); layout->addLayout(gridLayout); layout->addLayout(hLayout3); layout->addStretch(1); m_toolWidget->setLayout(layout); connect(comboAxis, SIGNAL(currentIndexChanged(int)), this, SLOT(axisChanged(int))); connect(m_toolWidget, SIGNAL(destroyed()), this, SLOT(toolWidgetDestroyed())); } return m_toolWidget; } void AlignTool::axisChanged(int axis) { // Axis to use - x=0, y=1, z=2 m_axis = axis; } void AlignTool::alignChanged(int align) { // Type of alignment - 0=everything, 1=molecule m_alignType = align; } void AlignTool::align() { if (m_atoms.size() == 0) return; if (m_atoms.size() >= 1) shiftAtomToOrigin(m_atoms[0].index); if (m_atoms.size() == 2) alignAtomToAxis(m_atoms[1].index, m_axis); } void AlignTool::shiftAtomToOrigin(Index atomIndex) { // Shift the atom to the origin Vector3 shift = m_molecule->atom(atomIndex).position3d(); const Core::Array& coords = m_molecule->atomPositions3d(); Core::Array newCoords(coords.size()); for (Index i = 0; i < coords.size(); ++i) newCoords[i] = coords[i] - shift; m_molecule->setAtomPositions3d(newCoords, tr("Align at Origin")); m_molecule->emitChanged(QtGui::Molecule::Atoms); } void AlignTool::alignAtomToAxis(Index atomIndex, int axis) { // Align the atom to the specified axis Vector3 align = m_molecule->atom(atomIndex).position3d(); const Core::Array& coords = m_molecule->atomPositions3d(); Core::Array newCoords(coords.size()); double alpha, beta, gamma; alpha = beta = gamma = 0.0; Vector3 pos = m_molecule->atom(atomIndex).position3d(); pos.normalize(); Vector3 axisVector; if (axis == 0) // x-axis axisVector = Vector3(1., 0., 0.); else if (axis == 1) // y-axis axisVector = Vector3(0., 1., 0.); else if (axis == 2) // z-axis axisVector = Vector3(0., 0., 1.); // Calculate the angle of the atom from the axis double angle = acos(axisVector.dot(pos)); // Get the vector for the rotation axisVector = axisVector.cross(pos); axisVector.normalize(); // Now to rotate the fragment for (Index i = 0; i < coords.size(); ++i) newCoords[i] = Eigen::AngleAxisd(-angle, axisVector) * coords[i]; m_molecule->setAtomPositions3d(newCoords, tr("Align to Axis")); m_molecule->emitChanged(QtGui::Molecule::Atoms); } void AlignTool::toolWidgetDestroyed() { m_toolWidget = nullptr; } QUndoCommand* AlignTool::mousePressEvent(QMouseEvent* e) { // If the click is released on an atom, add it to the list if (e->button() != Qt::LeftButton || !m_renderer) return nullptr; Identifier hit = m_renderer->hit(e->pos().x(), e->pos().y()); // Now add the atom on release. if (hit.type == Rendering::AtomType) { if (toggleAtom(hit)) emit drawablesChanged(); e->accept(); } return nullptr; } QUndoCommand* AlignTool::mouseDoubleClickEvent(QMouseEvent* e) { // Reset the atom list if (e->button() == Qt::LeftButton && !m_atoms.isEmpty()) { m_atoms.clear(); emit drawablesChanged(); e->accept(); } return nullptr; } bool AlignTool::toggleAtom(const Rendering::Identifier& atom) { int ind = m_atoms.indexOf(atom); if (ind >= 0) { m_atoms.remove(ind); return true; } if (m_atoms.size() >= 2) return false; m_atoms.push_back(atom); return true; } inline Vector3ub AlignTool::contrastingColor(const Vector3ub& rgb) const { // If we're far 'enough' (+/-32) away from 128, just invert the component. // If we're close to 128, inverting the color will end up too close to the // input -- adjust the component before inverting. const unsigned char minVal = 32; const unsigned char maxVal = 223; Vector3ub result; for (size_t i = 0; i < 3; ++i) { unsigned char input = rgb[i]; if (input > 160 || input < 96) result[i] = static_cast(255 - input); else result[i] = static_cast(255 - (input / 4)); // Clamp to 32-->223 to prevent pure black/white result[i] = std::min(maxVal, std::max(minVal, result[i])); } return result; } void AlignTool::draw(Rendering::GroupNode& node) { if (m_atoms.size() == 0) return; auto* geo = new GeometryNode; node.addChild(geo); // Add labels, extract positions QVector positions(m_atoms.size(), Vector3()); TextProperties atomLabelProp; atomLabelProp.setFontFamily(TextProperties::SansSerif); atomLabelProp.setAlign(TextProperties::HCenter, TextProperties::VCenter); for (int i = 0; i < m_atoms.size(); ++i) { Identifier& ident = m_atoms[i]; Q_ASSERT(ident.type == Rendering::AtomType); Q_ASSERT(ident.molecule != nullptr); auto atom = m_molecule->atom(ident.index); Q_ASSERT(atom.isValid()); unsigned char atomicNumber(atom.atomicNumber()); positions[i] = atom.position3d(); // get the color of the atom const unsigned char* color = Elements::color(atomicNumber); atomLabelProp.setColorRgb(contrastingColor(Vector3ub(color)).data()); auto* label = new TextLabel3D; label->setText(QString("#%1").arg(i + 1).toStdString()); label->setTextProperties(atomLabelProp); label->setAnchor(positions[i].cast()); label->setRadius( static_cast(Elements::radiusCovalent(atomicNumber)) + 0.1f); geo->addDrawable(label); } } void AlignTool::registerCommands() { emit registerCommand("centerAtom", tr("Center the atom at the origin.")); emit registerCommand( "alignAtom", tr("Rotate the molecule to align the atom to the specified axis.")); } bool AlignTool::handleCommand(const QString& command, const QVariantMap& options) { if (m_molecule == nullptr) return false; // No molecule to handle the command. if (command == "centerAtom") { if (options.contains("id")) { Index atomIndex = options["id"].toInt(); if (atomIndex < m_molecule->atomCount()) shiftAtomToOrigin(atomIndex); return true; } else if (options.contains("index")) { Index atomIndex = options["index"].toInt(); if (atomIndex < m_molecule->atomCount()) shiftAtomToOrigin(atomIndex); return true; } return false; } else if (command == "alignAtom") { int axis = -1; if (options.contains("axis") && options["axis"].type() == QVariant::Int) { axis = options["axis"].toInt(); } else if (options.contains("axis") && options["axis"].type() == QVariant::String) { QString axisString = options["axis"].toString(); if (axisString == "x") axis = 0; else if (axisString == "y") axis = 1; else if (axisString == "z") axis = 2; } if (axis >= 0 && axis < 3) { if (options.contains("id")) { Index atomIndex = options["id"].toInt(); if (atomIndex < m_molecule->atomCount()) alignAtomToAxis(atomIndex, axis); return true; } else if (options.contains("index")) { Index atomIndex = options["index"].toInt(); if (atomIndex < m_molecule->atomCount()) alignAtomToAxis(atomIndex, axis); return true; } } return false; // invalid options } return true; // nothing to handle } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/aligntool/aligntool.h000066400000000000000000000051211474375334400243230ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_ALIGNTOOL_H #define AVOGADRO_QTPLUGINS_ALIGNTOOL_H #include #include #include namespace Avogadro::QtPlugins { /** * @class AlignTool aligntool.h * * @brief The Align Tool class aligns molecules to a frame of reference. * @author Geoffrey Hutchison */ class AlignTool : public QtGui::ToolPlugin { Q_OBJECT public: explicit AlignTool(QObject* parent_ = nullptr); ~AlignTool() override; QString name() const override { return tr("Align tool"); } QString description() const override { return tr("Align molecules to a Cartesian axis"); } unsigned char priority() const override { return 90; } QAction* activateAction() const override { return m_activateAction; } QWidget* toolWidget() const override; void setIcon(bool darkTheme = false) override; void setMolecule(QtGui::Molecule* mol) override { if (mol) m_molecule = mol->undoMolecule(); } void setEditMolecule(QtGui::RWMolecule* mol) override { m_molecule = mol; } void setGLRenderer(Rendering::GLRenderer* renderer) override { m_renderer = renderer; } QUndoCommand* mousePressEvent(QMouseEvent* e) override; QUndoCommand* mouseDoubleClickEvent(QMouseEvent* e) override; void draw(Rendering::GroupNode& node) override; Vector3ub contrastingColor(const Vector3ub& rgb) const; void shiftAtomToOrigin(Index atomIndex); void alignAtomToAxis(Index atomIndex, int axis); bool toggleAtom(const Rendering::Identifier& atom); bool handleCommand(const QString& command, const QVariantMap& options) override; /** * Called by the app to tell the tool to register commands. * If the tool has commands, it should emit the registerCommand signals. */ void registerCommands() override; public Q_SLOTS: void axisChanged(int axis); void alignChanged(int align); void align(); private: QAction* m_activateAction; QtGui::RWMolecule* m_molecule; Rendering::GLRenderer* m_renderer; QVector m_atoms; int m_axis; int m_alignType; mutable QWidget* m_toolWidget; private Q_SLOTS: void toolWidgetDestroyed(); }; } // namespace Avogadro::QtPlugins #endif // AVOGADRO_QTOPENGL_ALIGNTOOL_H avogadrolibs-1.100.0/avogadro/qtplugins/aligntool/aligntool.qrc000066400000000000000000000002071474375334400246610ustar00rootroot00000000000000 align_light.svg align_dark.svg avogadrolibs-1.100.0/avogadro/qtplugins/apbs/000077500000000000000000000000001474375334400211205ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/apbs/CMakeLists.txt000066400000000000000000000005021474375334400236550ustar00rootroot00000000000000set(apbs_srcs apbs.cpp apbsdialog.cpp apbsoutputdialog.cpp opendxreader.cpp ) set(apbs_uis apbsdialog.ui apbsoutputdialog.ui ) avogadro_plugin(apbs "APBS Extension" ExtensionPlugin apbs.h Apbs "${apbs_srcs}" "${apbs_uis}" ) target_link_libraries(apbs PRIVATE Avogadro::IO Avogadro::MoleQueue) avogadrolibs-1.100.0/avogadro/qtplugins/apbs/apbs.cpp000066400000000000000000000116371474375334400225610ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "apbs.h" #include "apbsdialog.h" #include "opendxreader.h" #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using Core::Mesh; Apbs::Apbs(QObject* parent_) : QtGui::ExtensionPlugin(parent_), m_molecule(nullptr), m_progressDialog(nullptr), m_dialog(nullptr) { auto* action = new QAction(this); action->setText(tr("Run APBS…")); connect(action, SIGNAL(triggered()), this, SLOT(onRunApbs())); m_actions.append(action); action = new QAction(this); action->setText(tr("Open Output File…")); connect(action, SIGNAL(triggered()), this, SLOT(onOpenOutputFile())); m_actions.append(action); } Apbs::~Apbs() { delete m_dialog; delete m_progressDialog; } QStringList Apbs::menuPath(QAction*) const { return QStringList() << tr("&Input") << tr("&APBS"); } void Apbs::setMolecule(QtGui::Molecule* mol) { if (mol != m_molecule) m_molecule = mol; } void Apbs::onOpenOutputFile() { QString fileName = QFileDialog::getOpenFileName( qobject_cast(parent()), tr("Open Output File"), QString(), tr("OpenDX File (*.dx)")); if (fileName.isEmpty()) return; if (!m_molecule) return; loadOpenDxFile(fileName, *m_molecule); } void Apbs::meshGeneratorFinished() { auto* generator = qobject_cast(sender()); if (!generator) { return; } // delete the generator generator->deleteLater(); m_progressDialog->setValue(m_progressDialog->maximum()); m_progressDialog->hide(); } void Apbs::onMeshGeneratorProgress(int value) { m_progressDialog->setValue(value); qApp->processEvents(); } void Apbs::onRunApbs() { if (!m_dialog) m_dialog = new ApbsDialog(qobject_cast(parent())); m_dialog->setMolecule(m_molecule); int code = m_dialog->exec(); m_dialog->hide(); if (code == QDialog::Accepted) { m_pqrFileName = m_dialog->pqrFileName(); m_cubeFileName = m_dialog->cubeFileName(); emit moleculeReady(1); } } bool Apbs::readMolecule(QtGui::Molecule& molecule) { bool ok = Io::FileFormatManager::instance().readFile( molecule, m_pqrFileName.toStdString()); if (!ok) { QMessageBox::critical( qobject_cast(parent()), tr("IO Error"), tr("Error reading structure file (%1).").arg(m_pqrFileName)); return false; } if (!m_cubeFileName.isEmpty()) { // load the cube file and generate meshes ok = loadOpenDxFile(m_cubeFileName, molecule); if (!ok) return false; } return true; } bool Apbs::loadOpenDxFile(const QString& fileName, QtGui::Molecule& molecule) { OpenDxReader reader; bool ok = reader.readFile(fileName); if (!ok) { QMessageBox::critical( qobject_cast(parent()), tr("OpenDX Error"), tr("Error reading OpenDX file: %1").arg(reader.errorString())); } else { const Core::Cube* cube = reader.cube(); if (!cube) { QMessageBox::critical(qobject_cast(parent()), tr("OpenDX Error"), tr("Error reading OpenDX file: No cube found")); } else { if (!m_progressDialog) m_progressDialog = new QProgressDialog(qobject_cast(parent())); // generate positive mesh m_progressDialog->setLabelText("Generating Positive Potential Mesh"); m_progressDialog->setRange(0, 100); m_progressDialog->setValue(1); qApp->processEvents(); Mesh* mesh = molecule.addMesh(); auto* meshGenerator = new QtGui::MeshGenerator(cube, mesh, 0.1f); connect(meshGenerator, SIGNAL(finished()), this, SLOT(meshGeneratorFinished())); connect(meshGenerator, SIGNAL(progressValueChanged(int)), this, SLOT(onMeshGeneratorProgress(int))); meshGenerator->run(); // generate negative mesh m_progressDialog->setLabelText("Generating Negative Potential Mesh"); m_progressDialog->setRange(0, 100); m_progressDialog->setValue(1); qApp->processEvents(); mesh = molecule.addMesh(); meshGenerator = new QtGui::MeshGenerator(cube, mesh, -0.1f); connect(meshGenerator, SIGNAL(finished()), this, SLOT(meshGeneratorFinished())); connect(meshGenerator, SIGNAL(progressValueChanged(int)), this, SLOT(onMeshGeneratorProgress(int))); meshGenerator->run(); m_progressDialog->setValue(100); m_progressDialog->hide(); } } return true; } } avogadrolibs-1.100.0/avogadro/qtplugins/apbs/apbs.h000066400000000000000000000033261474375334400222220ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_APBS_APBS_H #define AVOGADRO_QTPLUGINS_APBS_APBS_H #include #include class QProgressDialog; namespace Avogadro::QtPlugins { class ApbsDialog; /** * @brief The Apbs class provides integration with the APBS package, primarily * reading the OpenDX output files produced by it at this point. */ class Apbs : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit Apbs(QObject* parent_ = nullptr); ~Apbs() override; QString name() const override { return tr("APBS"); } QString description() const override { return tr("Interact with APBS utilities."); } QList actions() const override { return m_actions; } QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule*) override; bool readMolecule(QtGui::Molecule&) override; private slots: void onOpenOutputFile(); void onMeshGeneratorProgress(int value); void meshGeneratorFinished(); void onRunApbs(); private: /** * Loads the cube from the OpenDX file and adds the meshes to the molecule. */ bool loadOpenDxFile(const QString& fileName, QtGui::Molecule& molecule); private: QtGui::Molecule* m_molecule; QList m_actions; QProgressDialog* m_progressDialog; ApbsDialog* m_dialog; QString m_pqrFileName; QString m_cubeFileName; }; } // namespace Avogadro::QtPlugins #endif // AVOGADRO_QTPLUGINS_APBS_APBS_H avogadrolibs-1.100.0/avogadro/qtplugins/apbs/apbsdialog.cpp000066400000000000000000000141561474375334400237400ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include "apbsdialog.h" #include "apbsoutputdialog.h" #include "ui_apbsdialog.h" #include #include #include #include #include #include namespace Avogadro::QtPlugins { using MoleQueue::InputGenerator; ApbsDialog::ApbsDialog(QWidget* parent_) : QDialog(parent_), m_ui(new Ui::ApbsDialog), m_molecule(nullptr), m_inputGenerator( new InputGenerator(QCoreApplication::applicationDirPath() + "/../" + QtGui::Utilities::libraryDirectory() + "/avogadro2/scripts/inputGenerators/apbs.py")), m_loadStructureFile(false), m_loadCubeFile(false) { m_ui->setupUi(this); connect(m_ui->closeButton, SIGNAL(clicked()), this, SLOT(reject())); connect(m_ui->openPdbFileButton, SIGNAL(clicked()), this, SLOT(openPdbFile())); connect(m_ui->openPqrFileButton, SIGNAL(clicked()), this, SLOT(openPqrFile())); connect(m_ui->runApbsButton, SIGNAL(clicked()), this, SLOT(runApbs())); connect(m_ui->runPdb2PqrButton, SIGNAL(clicked()), this, SLOT(runPdb2Pqr())); connect(m_ui->saveInputFileButton, SIGNAL(clicked()), this, SLOT(saveInputFile())); } ApbsDialog::~ApbsDialog() { delete m_ui; delete m_inputGenerator; } void ApbsDialog::setMolecule(QtGui::Molecule* molecule) { if (molecule != m_molecule) { m_molecule = molecule; // clear values from previous runs m_ui->pdbFileLineEdit->clear(); m_ui->pqrFileLineEdit->clear(); m_ui->textEdit->clear(); } } QString ApbsDialog::pqrFileName() const { if (m_ui->generateFromPdbButton->isChecked()) return m_generatedPqrFileName; else return m_ui->pqrFileLineEdit->text(); } QString ApbsDialog::cubeFileName() const { return m_cubeFileName; } void ApbsDialog::openPdbFile() { QString fileName = QFileDialog::getOpenFileName( qobject_cast(parent()), tr("Open PDB File"), QString(), tr("PDB Files (*.pdb)")); if (!fileName.isEmpty()) { m_ui->pdbFileLineEdit->setText(fileName); m_ui->generateFromPdbButton->setChecked(true); } } void ApbsDialog::openPqrFile() { QString fileName = QFileDialog::getOpenFileName( qobject_cast(parent()), tr("Open PQR File"), QString(), tr("PQR Files (*.pqr)")); if (!fileName.isEmpty()) { m_ui->pqrFileLineEdit->setText(fileName); m_ui->loadFromPqrButton->setChecked(true); } updatePreviewTextImmediately(); } void ApbsDialog::runApbs() { saveInputFile("apbs.in"); // run apbs QStringList arguments; arguments.append("apbs.in"); QProcess process; process.start("apbs", arguments); // FIXME: show progress dialog process.waitForFinished(); if (process.exitStatus() == QProcess::NormalExit) { m_cubeFileName = "pot-PE0.dx"; ApbsOutputDialog dialog(this); connect(&dialog, SIGNAL(accepted()), this, SLOT(accept())); int code = dialog.exec(); if (code == QDialog::Accepted) { m_loadStructureFile = dialog.loadStructureFile(); m_loadCubeFile = dialog.loadCubeFile(); } else { m_loadStructureFile = false; m_loadCubeFile = false; } } else { m_loadStructureFile = false; m_loadCubeFile = false; QMessageBox::critical(this, tr("Error"), tr("Error running APBS: %1") .arg(process.readAllStandardError().constData())); } } void ApbsDialog::runPdb2Pqr() { QString pdbFileName = m_ui->pdbFileLineEdit->text(); if (pdbFileName.isEmpty()) { QMessageBox::critical(this, tr("Error"), tr("Please specify PDB file")); return; } QString pqrFileName_ = QFileInfo(pdbFileName).baseName() + ".pqr"; QString forceFieldName = m_ui->forceFieldComboBox->currentText(); // run pdb2pqr QStringList arguments; arguments.append("--ff"); arguments.append(forceFieldName); arguments.append(pdbFileName); arguments.append(pqrFileName_); QProcess process; process.start("pdb2pqr", arguments); process.waitForFinished(); if (process.exitStatus() == QProcess::NormalExit) { QMessageBox::information(this, "Success", QString("Generated %1").arg(pqrFileName_)); m_generatedPqrFileName = pqrFileName_; updatePreviewTextImmediately(); } else { QMessageBox::critical(this, "Error", QString("Error running PDB2PQR")); m_generatedPqrFileName.clear(); } } void ApbsDialog::saveInputFile() { QString fileName = QFileDialog::getSaveFileName( this, tr("Save APBS Input File"), "apbs.in", tr("APBS Input (*.in)")); if (!fileName.isEmpty()) { saveInputFile(fileName); QMessageBox::information(this, tr("Success"), tr("Input file written to '%1'").arg(fileName)); } } void ApbsDialog::saveInputFile(const QString& fileName) { QString contents = m_inputGenerator->fileContents("apbs.in"); QFile file(fileName); file.open(QFile::WriteOnly); file.write(contents.toLocal8Bit()); file.close(); } void ApbsDialog::updatePreviewTextImmediately() { QString pqrFileName_; if (m_ui->generateFromPdbButton->isChecked()) pqrFileName_ = m_generatedPqrFileName; else pqrFileName_ = m_ui->pqrFileLineEdit->text(); QJsonObject inputOptions; QJsonObject options; options["mainFile"] = pqrFileName_; options["Input File"] = pqrFileName_; options["Calculation"] = QString("mg-auto"); inputOptions["options"] = options; QJsonObject settings; inputOptions["settings"] = settings; bool success = m_inputGenerator->generateInput(inputOptions, *m_molecule); if (!success) { // FIXME: show in a dialog std::cerr << "errors: " << std::endl; foreach (const QString& error, m_inputGenerator->errorList()) { std::cerr << " " << error.toStdString() << std::endl; } } m_ui->textEdit->setText(m_inputGenerator->fileContents("apbs.in")); } } avogadrolibs-1.100.0/avogadro/qtplugins/apbs/apbsdialog.h000066400000000000000000000030731474375334400234010ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_APBS_APBSDIALOG_H #define AVOGADRO_QTPLUGINS_APBS_APBSDIALOG_H #include #include namespace Ui { class ApbsDialog; } namespace Avogadro { namespace QtGui { class Molecule; } namespace MoleQueue { class InputGenerator; } namespace QtPlugins { /** * @brief Dialog for running APBS. */ class ApbsDialog : public QDialog { Q_OBJECT public: /** * Constructor for ApbsDialog. */ ApbsDialog(QWidget* parent_ = nullptr); /** * Destructor for ApbsDialog. */ ~ApbsDialog() override; void setMolecule(QtGui::Molecule* molecule); /** * Returns the file name for the input .pqr file. */ QString pqrFileName() const; /** * Returns the file name for the output .dx file. */ QString cubeFileName() const; private slots: void openPdbFile(); void openPqrFile(); void runApbs(); void runPdb2Pqr(); void saveInputFile(); void saveInputFile(const QString& fileName); private: void updatePreviewTextImmediately(); private: Ui::ApbsDialog* m_ui; QString m_generatedPqrFileName; QtGui::Molecule* m_molecule; MoleQueue::InputGenerator* m_inputGenerator; QString m_cubeFileName; bool m_loadStructureFile; bool m_loadCubeFile; }; } } #endif // AVOGADRO_QTPLUGINS_APBS_APBSDIALOG_H avogadrolibs-1.100.0/avogadro/qtplugins/apbs/apbsdialog.ui000066400000000000000000000126301474375334400235660ustar00rootroot00000000000000 ApbsDialog 0 0 794 644 APBS Structure Input File Generate Input From PDB true PDB File: ... 0 0 Force Field: AMBER CHARMM PARSE TYL06 PEOEPB SWANSON 0 0 Run PDB2PQR Load Existing PQR File PQR File: ... APBS Input File Save Input File Run APBS Close avogadrolibs-1.100.0/avogadro/qtplugins/apbs/apbsoutputdialog.cpp000066400000000000000000000014011474375334400252060ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "apbsoutputdialog.h" #include "ui_apbsoutputdialog.h" namespace Avogadro::QtPlugins { ApbsOutputDialog::ApbsOutputDialog(QWidget* parent_) : QDialog(parent_), m_ui(new Ui::ApbsOutputDialog) { m_ui->setupUi(this); } ApbsOutputDialog::~ApbsOutputDialog() { } bool ApbsOutputDialog::loadStructureFile() const { return m_ui->loadStructureCheckBox->isChecked(); } bool ApbsOutputDialog::loadCubeFile() const { return m_ui->loadCubeCheckBox->isChecked(); } } avogadrolibs-1.100.0/avogadro/qtplugins/apbs/apbsoutputdialog.h000066400000000000000000000024601474375334400246610ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_APBS_APBSOUTPUTDIALOG_H #define AVOGADRO_QTPLUGINS_APBS_APBSOUTPUTDIALOG_H #include namespace Ui { class ApbsOutputDialog; } namespace Avogadro::QtPlugins { /** * @brief Dialog indicating a successful run of APBS. * * The ApbsOutputDialog class is used to tell the user that the run of APBS * was successful. It allows the user to select which of the input and output * files to load. */ class ApbsOutputDialog : public QDialog { Q_OBJECT public: /** * Constructor for ApbsOutputDialog. */ ApbsOutputDialog(QWidget* parent_ = nullptr); /** * Destructor for ApbsOutputDialog. */ ~ApbsOutputDialog() override; /** * Returns true if the user checked the 'Load Structure' check box. */ bool loadStructureFile() const; /** * Returns true if the user checked the 'Load Cube' check box. */ bool loadCubeFile() const; private: Ui::ApbsOutputDialog* m_ui; }; } // namespace Avogadro::QtPlugins #endif // AVOGADRO_QTPLUGINS_APBS_APBSOUTPUTDIALOG_H avogadrolibs-1.100.0/avogadro/qtplugins/apbs/apbsoutputdialog.ui000066400000000000000000000040571474375334400250530ustar00rootroot00000000000000 ApbsOutputDialog 0 0 325 99 Success Success! Load Structure File true Load Cube File true Qt::Horizontal QDialogButtonBox::Cancel|QDialogButtonBox::Ok buttonBox accepted() ApbsOutputDialog accept() 248 254 157 274 buttonBox rejected() ApbsOutputDialog reject() 316 260 286 274 avogadrolibs-1.100.0/avogadro/qtplugins/apbs/opendxreader.cpp000066400000000000000000000043201474375334400243030ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "opendxreader.h" #include #include #include #include namespace Avogadro::QtPlugins { using Core::Cube; bool OpenDxReader::readFile(const QString& fileName) { QFile file(fileName); if (!file.open(QFile::ReadOnly)) { m_errorString = "Failed to open file for reading"; return false; } delete m_cube; Vector3i dim(0, 0, 0); Vector3 origin(0, 0, 0); QVector spacings; std::vector values; while (!file.atEnd()) { QByteArray line = file.readLine(); QTextStream stream(line); if (line.isEmpty()) { // skip empty line continue; } else if (line[0] == '#') { // skip comment line continue; } else if (line.startsWith("object")) { if (dim[0] != 0) continue; QString unused; stream >> unused >> unused >> unused >> unused >> unused; stream >> dim[0] >> dim[1] >> dim[2]; } else if (line.startsWith("origin")) { QString unused; stream >> unused >> origin[0] >> origin[1] >> origin[2]; } else if (line.startsWith("delta")) { QString unused; Vector3 delta; stream >> unused >> delta[0] >> delta[1] >> delta[2]; spacings.append(delta); } else if (line.startsWith("attribute")) { continue; } else if (line.startsWith("component")) { continue; } else { // data line while (!stream.atEnd()) { double value; stream >> value; values.push_back(value); stream.skipWhiteSpace(); } } } Vector3 spacing(spacings[0][0], spacings[1][1], spacings[2][2]); // create potential cube m_cube = new Cube; m_cube->setCubeType(Cube::ESP); m_cube->setLimits(origin, dim, spacing); m_cube->setData(values); return true; } QString OpenDxReader::errorString() const { return m_errorString; } Cube* OpenDxReader::cube() const { return m_cube; } } avogadrolibs-1.100.0/avogadro/qtplugins/apbs/opendxreader.h000066400000000000000000000023401474375334400237500ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_APBS_OPENDXREADER_H #define AVOGADRO_QTPLUGINS_APBS_OPENDXREADER_H #include namespace Avogadro { namespace Core { class Cube; } namespace QtPlugins { /** * @brief Provide a reader for OpenDX files. */ class OpenDxReader { public: /** * Constructor for OpenDxReader. */ OpenDxReader() = default; /** * Destructor for OpenDxReader. */ ~OpenDxReader() = default; /** * Reads the file with the given @fileName. Returns false if an error * occurs. */ bool readFile(const QString& fileName); /** * @return String describing the last error that occurred. */ QString errorString() const; /** * Returns the potential energy cube read from the file. Returns 0 if no file * has been successfully read. */ Core::Cube* cube() const; private: Core::Cube* m_cube = nullptr; QString m_errorString; }; } } #endif // AVOGADRO_QTPLUGINS_APBS_OPENDXREADER_H avogadrolibs-1.100.0/avogadro/qtplugins/applycolors/000077500000000000000000000000001474375334400225425ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/applycolors/CMakeLists.txt000066400000000000000000000003701474375334400253020ustar00rootroot00000000000000avogadro_plugin(ApplyColors "Extension to apply color schemes to atoms and residues." ExtensionPlugin applycolors.h ApplyColors "applycolors.cpp" chargedialog.ui ) target_link_libraries(ApplyColors PRIVATE Avogadro::Calc tinycolormap) avogadrolibs-1.100.0/avogadro/qtplugins/applycolors/applycolors.cpp000066400000000000000000000414771474375334400256320ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "applycolors.h" #include "ui_chargedialog.h" #include #include #include #include #include #include #include #include #include #include using namespace tinycolormap; namespace Avogadro::QtPlugins { const int atomColors = 0; const int bondColors = 1; const int residueColors = 2; class ChargeColorDialog : public QDialog, public Ui::ChargeDialog { public: ChargeColorDialog(QWidget* parent = nullptr) : QDialog(parent) { setWindowFlags(Qt::Dialog | Qt::Tool); setupUi(this); } }; ApplyColors::ApplyColors(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_molecule(nullptr), m_dialog(nullptr) { QAction* action; action = new QAction(tr("By Custom Color…"), this); action->setData(atomColors); connect(action, SIGNAL(triggered()), SLOT(openColorDialog())); m_actions.append(action); action = new QAction(tr("By Atomic Index…"), this); action->setData(atomColors); connect(action, SIGNAL(triggered()), SLOT(applyIndexColors())); m_actions.append(action); action = new QAction(tr("By Distance…"), this); action->setData(atomColors); connect(action, SIGNAL(triggered()), SLOT(applyDistanceColors())); m_actions.append(action); action = new QAction(tr("By Element"), this); action->setData(atomColors); connect(action, SIGNAL(triggered()), SLOT(resetColors())); m_actions.append(action); // not sure if we want to color atoms by residue or not... action = new QAction(tr("By Custom Color…"), this); action->setData(residueColors); connect(action, SIGNAL(triggered()), SLOT(openColorDialogResidue())); m_actions.append(action); action = new QAction(tr("By Chain"), this); action->setData(residueColors); connect(action, SIGNAL(triggered()), SLOT(resetColorsResidue())); m_actions.append(action); action = new QAction(tr("By Partial Charge…"), this); action->setData(atomColors); connect(action, SIGNAL(triggered()), SLOT(applyChargeColors())); m_actions.append(action); action = new QAction(tr("By Secondary Structure"), this); action->setData(residueColors); connect(action, SIGNAL(triggered()), SLOT(applySecondaryStructureColors())); m_actions.append(action); action = new QAction(tr("By Amino Acid"), this); action->setData(residueColors); connect(action, SIGNAL(triggered()), SLOT(applyAminoColors())); m_actions.append(action); action = new QAction(tr("By Shapely Scheme"), this); action->setData(residueColors); connect(action, SIGNAL(triggered()), SLOT(applyShapelyColors())); m_actions.append(action); } ApplyColors::~ApplyColors() { if (m_dialog) m_dialog->deleteLater(); } ColormapType ApplyColors::getColormapFromString(const QString& name) const { // Just do all of them, even though we won't use them all if (name == tr("Parula", "colormap")) return ColormapType::Parula; else if (name == tr("Heat", "colormap")) return ColormapType::Heat; else if (name == tr("Hot", "colormap")) return ColormapType::Hot; else if (name == tr("Gray", "colormap")) return ColormapType::Gray; else if (name == tr("Magma", "colormap")) return ColormapType::Magma; else if (name == tr("Inferno", "colormap")) return ColormapType::Inferno; else if (name == tr("Plasma", "colormap")) return ColormapType::Plasma; else if (name == tr("Viridis", "colormap")) return ColormapType::Viridis; else if (name == tr("Cividis", "colormap")) return ColormapType::Cividis; else if (name == tr("Spectral", "colormap")) return ColormapType::Spectral; else if (name == tr("Coolwarm", "colormap")) return ColormapType::Coolwarm; else if (name == tr("Balance", "colormap")) return ColormapType::Balance; else if (name == tr("Blue-DarkRed", "colormap")) return ColormapType::BlueDkRed; else if (name == tr("Turbo", "colormap")) return ColormapType::Turbo; return ColormapType::Turbo; } QString ApplyColors::description() const { return tr("Apply color schemes to atoms and residues."); } QList ApplyColors::actions() const { return m_actions; } QStringList ApplyColors::menuPath(QAction* action) const { if (action->data() == atomColors) return QStringList() << tr("&View") << tr("Color Atoms"); else if (action->data() == residueColors) return QStringList() << tr("&View") << tr("Color Residues"); else return QStringList(); } void ApplyColors::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void ApplyColors::openColorDialog() { if (m_dialog == nullptr) { m_dialog = new QColorDialog(qobject_cast(parent())); connect(m_dialog, SIGNAL(currentColorChanged(const QColor&)), SLOT(applyCustomColor(const QColor&))); } m_dialog->exec(); } // TODO - read colormap gradients (e.g., turbo) Vector3ub rainbowGradient(const float value, const ColormapType type = ColormapType::Turbo) { auto color = tinycolormap::GetColor(value, type); Vector3ub ci(color.ri(), color.gi(), color.bi()); return ci; } Vector3ub chargeGradient(const float value, const float clamp, const ColormapType type = ColormapType::Coolwarm) { // okay, typically color scales have blue at the bottom, red at the top. // so we need to invert, so blue is positive charge, red is negative charge. // we also need to scale the color to the range of the charge. float scaledValue = value / clamp; // from -1 to 1.0 float scaledValue2 = 1.0 - ((scaledValue + 1.0) / 2.0); // from 0 to 1.0 red to blue auto color = tinycolormap::GetColor(scaledValue2, type); Vector3ub ci(color.ri(), color.gi(), color.bi()); return ci; } void ApplyColors::applyIndexColors() { if (m_molecule == nullptr) return; // check on colormap ColormapType type = ColormapType::Turbo; QStringList colormaps; bool ok; colormaps << tr("Parula", "colormap") << tr("Magma", "colormap") << tr("Inferno", "colormap") << tr("Plasma", "colormap") << tr("Viridis", "colormap") << tr("Cividis", "colormap") << tr("Spectral", "colormap") << tr("Turbo", "colormap"); QString item = QInputDialog::getItem( nullptr, tr("Select Colormap"), tr("Colormap:"), colormaps, 7, false, &ok); if (ok) { type = getColormapFromString(item); } bool isSelection = !m_molecule->isSelectionEmpty(); // probably better to get color scales, but for now do it manually auto numAtoms = m_molecule->atomCount(); for (Index i = 0; i < numAtoms; ++i) { // if there's a selection and this atom isn't selected, skip it if (isSelection && !m_molecule->atomSelected(i)) continue; float indexFraction = float(i) / float(numAtoms); m_molecule->atom(i).setColor(rainbowGradient(indexFraction, type)); } m_molecule->emitChanged(QtGui::Molecule::Atoms); } void ApplyColors::applyChargeColors() { if (m_molecule == nullptr) return; bool isSelection = !m_molecule->isSelectionEmpty(); // get the list of possible models const auto identifiers = Calc::ChargeManager::instance().identifiersForMolecule(*m_molecule); if (identifiers.empty()) return; // populate the dialog to choose the model and colormap ChargeColorDialog dialog; for (const auto& model : identifiers) { auto name = Calc::ChargeManager::instance().nameForModel(model); dialog.modelCombo->addItem(name.c_str(), model.c_str()); } dialog.exec(); if (dialog.result() != QDialog::Accepted) return; // get the model and colormap const auto model = dialog.modelCombo->currentData().toString().toStdString(); const auto colormapName = dialog.colorMapCombo->currentText(); const auto type = getColormapFromString(colormapName); // first off, get the range of partial charges auto numAtoms = m_molecule->atomCount(); float minCharge = 0.0f; float maxCharge = 0.0f; auto charges = Calc::ChargeManager::instance().partialCharges(model, *m_molecule); // check if the model string is already a partial charge type if (m_molecule->partialChargeTypes().find(model) != m_molecule->partialChargeTypes().end()) { charges = m_molecule->partialCharges(model); } for (Index i = 0; i < numAtoms; ++i) { float charge = charges(i, 0); minCharge = std::min(minCharge, charge); maxCharge = std::max(maxCharge, charge); } // now apply the colors float clamp = std::max(std::abs(minCharge), std::abs(maxCharge)); for (Index i = 0; i < numAtoms; ++i) { // if there's a selection and this atom isn't selected, skip it if (isSelection && !m_molecule->atomSelected(i)) continue; m_molecule->atom(i).setColor(chargeGradient(charges(i, 0), clamp, type)); } m_molecule->emitChanged(QtGui::Molecule::Atoms); } void ApplyColors::applyDistanceColors() { if (m_molecule == nullptr && m_molecule->atomCount() == 0) return; bool isSelection = !m_molecule->isSelectionEmpty(); // check on colormap ColormapType type = ColormapType::Turbo; QStringList colormaps; bool ok; colormaps << tr("Parula", "colormap") << tr("Magma", "colormap") << tr("Inferno", "colormap") << tr("Plasma", "colormap") << tr("Viridis", "colormap") << tr("Cividis", "colormap") << tr("Spectral", "colormap") << tr("Turbo", "colormap"); QString item = QInputDialog::getItem( nullptr, tr("Select Colormap"), tr("Colormap:"), colormaps, 7, false, &ok); if (ok) { type = getColormapFromString(item); } Vector3 firstPos = m_molecule->atomPosition3d(0); Real size = 2.0 * m_molecule->radius(); // probably better to get color scales, but for now do it manually auto numAtoms = m_molecule->atomCount(); for (Index i = 0; i < numAtoms; ++i) { // if there's a selection and this atom isn't selected, skip it if (isSelection && !m_molecule->atomSelected(i)) continue; Vector3 currPos = m_molecule->atomPosition3d(i); Vector3 diff = currPos - firstPos; Real distance = diff.norm(); Real distanceFraction = distance / size; m_molecule->atom(i).setColor(rainbowGradient(distanceFraction, type)); } m_molecule->emitChanged(QtGui::Molecule::Atoms); } void ApplyColors::resetColors() { if (m_molecule == nullptr) return; bool isSelection = !m_molecule->isSelectionEmpty(); for (Index i = 0; i < m_molecule->atomCount(); ++i) { // if there's a selection and this atom isn't selected, skip it if (isSelection && !m_molecule->atomSelected(i)) continue; Vector3ub color(Core::Elements::color(m_molecule->atomicNumber(i))); m_molecule->atom(i).setColor(color); } m_molecule->emitChanged(QtGui::Molecule::Atoms); } void ApplyColors::applyCustomColor(const QColor& new_color) { if (m_molecule == nullptr) return; bool isSelection = !m_molecule->isSelectionEmpty(); Vector3ub color; // map to our types color[0] = static_cast(new_color.red()); color[1] = static_cast(new_color.green()); color[2] = static_cast(new_color.blue()); for (Index i = 0; i < m_molecule->atomCount(); ++i) { // if there's a selection and this atom isn't selected, skip it if (isSelection && !m_molecule->atomSelected(i)) continue; m_molecule->atom(i).setColor(color); } m_molecule->emitChanged(QtGui::Molecule::Atoms); } void ApplyColors::openColorDialogResidue() { if (m_dialog == nullptr) { m_dialog = new QColorDialog(qobject_cast(parent())); } m_dialog->disconnect(); connect(m_dialog, SIGNAL(currentColorChanged(const QColor&)), SLOT(applyCustomColorResidue(const QColor&))); m_dialog->exec(); } void ApplyColors::applyCustomColorResidue(const QColor& new_color) { if (m_molecule == nullptr) return; bool isSelection = !m_molecule->isSelectionEmpty(); Vector3ub color; // map to our types color[0] = static_cast(new_color.red()); color[1] = static_cast(new_color.green()); color[2] = static_cast(new_color.blue()); for (Index i = 0; i < m_molecule->residueCount(); ++i) { // if there's a selection and this residue isn't selected, skip it auto& residue = m_molecule->residue(i); if (isSelection && !m_molecule->atomSelected(residue.getAtomByName("CA").index())) continue; residue.setColor(color); } m_molecule->emitChanged(QtGui::Molecule::Atoms); } void ApplyColors::resetColorsResidue() { if (m_molecule == nullptr) return; bool isSelection = !m_molecule->isSelectionEmpty(); for (Index i = 0; i < m_molecule->residueCount(); ++i) { // if there's a selection and this residue isn't selected, skip it auto& residue = m_molecule->residue(i); if (isSelection && !m_molecule->atomSelected(residue.getAtomByName("CA").index())) continue; int offset = 0; char chainId = residue.chainId(); if (chainId >= 'A' && chainId <= 'Z') offset = chainId - 'A'; else if (chainId >= 'a' && chainId <= 'z') offset = chainId - 'a'; else if (chainId >= '0' && chainId <= '9') offset = chainId - '0' + 15; // starts at 'P' Vector3ub color(Core::chain_color[offset]); residue.setColor(color); } m_molecule->emitChanged(QtGui::Molecule::Atoms); } void ApplyColors::applySecondaryStructureColors() { if (m_molecule == nullptr) return; bool isSelection = !m_molecule->isSelectionEmpty(); for (Index i = 0; i < m_molecule->residueCount(); ++i) { // if there's a selection and this residue isn't selected, skip it auto& residue = m_molecule->residue(i); if (isSelection && !m_molecule->atomSelected(residue.getAtomByName("CA").index())) continue; Core::Residue::SecondaryStructure type = residue.secondaryStructure(); if (type < 0 || type > 7) { type = Core::Residue::SecondaryStructure::coil; } Vector3ub color(Core::secondary_color[type]); residue.setColor(color); } // end loop m_molecule->emitChanged(QtGui::Molecule::Atoms); } int residueNameToOffset(const std::string& name) { std::string residueName(name); // ensure it's always in uppercase for (auto& c : residueName) c = (unsigned char)toupper(c); // used for "amino" and "shapely" color schemes int offset = 22; // other if (residueName == "ALA") offset = 0; else if (residueName == "ARG") offset = 1; else if (residueName == "ASN") offset = 2; else if (residueName == "ASP") offset = 3; else if (residueName == "CYS") offset = 4; else if (residueName == "GLN") offset = 5; else if (residueName == "GLU") offset = 6; else if (residueName == "GLY") offset = 7; else if (residueName == "HIS") offset = 8; else if (residueName == "ILE") offset = 9; else if (residueName == "LEU") offset = 10; else if (residueName == "LYS") offset = 11; else if (residueName == "MET") offset = 12; else if (residueName == "PHE") offset = 13; else if (residueName == "PRO") offset = 14; else if (residueName == "SER") offset = 15; else if (residueName == "THR") offset = 16; else if (residueName == "TRP") offset = 17; else if (residueName == "TYR") offset = 18; else if (residueName == "VAL") offset = 19; else if (residueName == "ASX") offset = 20; else if (residueName == "GLX") offset = 21; else offset = 22; // default return offset; } void ApplyColors::applyAminoColors() { if (m_molecule == nullptr) return; bool isSelection = !m_molecule->isSelectionEmpty(); for (Index i = 0; i < m_molecule->residueCount(); ++i) { // if there's a selection and this residue isn't selected, skip it auto& residue = m_molecule->residue(i); if (isSelection && !m_molecule->atomSelected(residue.getAtomByName("CA").index())) continue; int offset = residueNameToOffset(residue.residueName()); Vector3ub color(Core::amino_color[offset]); residue.setColor(color); } m_molecule->emitChanged(QtGui::Molecule::Atoms); } void ApplyColors::applyShapelyColors() { if (m_molecule == nullptr) return; bool isSelection = !m_molecule->isSelectionEmpty(); for (Index i = 0; i < m_molecule->residueCount(); ++i) { // if there's a selection and this residue isn't selected, skip it auto& residue = m_molecule->residue(i); if (isSelection && !m_molecule->atomSelected(residue.getAtomByName("CA").index())) continue; int offset = residueNameToOffset(residue.residueName()); Vector3ub color(Core::shapely_color[offset]); residue.setColor(color); } m_molecule->emitChanged(QtGui::Molecule::Atoms); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/applycolors/applycolors.h000066400000000000000000000032531474375334400252650ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_APPLYCOLORS_H #define AVOGADRO_QTPLUGINS_APPLYCOLORS_H #include #include #include class QColorDialog; namespace Avogadro::QtPlugins { /** * @brief The ApplyColors class is an extension to modify apply custom colors. */ class ApplyColors : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit ApplyColors(QObject* parent_ = nullptr); ~ApplyColors() override; QString name() const override { return tr("ApplyColors"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; private slots: void openColorDialog(); void applyCustomColor(const QColor& color); void applyDistanceColors(); void applyIndexColors(); void applyChargeColors(); void resetColors(); void openColorDialogResidue(); void applyCustomColorResidue(const QColor& color); void applyAminoColors(); void applyShapelyColors(); void applySecondaryStructureColors(); void resetColorsResidue(); private: QList m_actions; QtGui::Molecule* m_molecule; QColorDialog* m_dialog; tinycolormap::ColormapType getColormapFromString(const QString& name) const; }; } // namespace Avogadro::QtPlugins #endif // AVOGADRO_QTPLUGINS_APPLYCOLORS_H avogadrolibs-1.100.0/avogadro/qtplugins/applycolors/chargedialog.ui000066400000000000000000000056071474375334400255220ustar00rootroot00000000000000 ChargeDialog 0 0 293 126 Partial Charges Colormap: QDialogButtonBox::Cancel|QDialogButtonBox::Ok Balance Blue-DarkRed Coolwarm Spectral Turbo Charge Model: Qt::Vertical 20 40 modelCombo colorMapCombo buttonBox rejected() ChargeDialog reject() 194 105 146 62 buttonBox accepted() ChargeDialog accept() 194 105 146 62 avogadrolibs-1.100.0/avogadro/qtplugins/ballandstick/000077500000000000000000000000001474375334400226265ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/ballandstick/CMakeLists.txt000066400000000000000000000003031474375334400253620ustar00rootroot00000000000000avogadro_plugin(BallStick "Ball and stick rendering scheme" ScenePlugin ballandstick.h BallAndStick ballandstick.cpp "") target_link_libraries(BallStick PRIVATE Avogadro::Rendering) avogadrolibs-1.100.0/avogadro/qtplugins/ballandstick/ballandstick.cpp000066400000000000000000000313321474375334400257670ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "ballandstick.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using Core::Elements; using QtGui::PluginLayerManager; using Rendering::CylinderGeometry; using Rendering::GeometryNode; using Rendering::SphereGeometry; struct LayerBallAndStick : Core::LayerData { QWidget* widget; bool multiBonds; bool showHydrogens; float atomScale; float bondRadius; float opacity; LayerBallAndStick() { widget = nullptr; QSettings settings; atomScale = settings.value("ballandstick/atomScale", 0.3).toDouble(); bondRadius = settings.value("ballandstick/bondRadius", 0.1).toDouble(); multiBonds = settings.value("ballandstick/multiBonds", true).toBool(); showHydrogens = settings.value("ballandstick/showHydrogens", true).toBool(); opacity = settings.value("ballandstick/opacity", 1.0).toDouble(); } LayerBallAndStick(std::string settings) { widget = nullptr; deserialize(settings); } ~LayerBallAndStick() override { if (widget) widget->deleteLater(); } std::string serialize() final { return boolToString(multiBonds) + " " + boolToString(showHydrogens) + " " + std::to_string(atomScale) + " " + std::to_string(bondRadius) + " " + std::to_string(opacity); } void deserialize(std::string text) final { std::stringstream ss(text); std::string aux; ss >> aux; multiBonds = stringToBool(aux); ss >> aux; showHydrogens = stringToBool(aux); ss >> aux; atomScale = std::stof(aux); ss >> aux; bondRadius = std::stof(aux); ss >> aux; if (!aux.empty()) opacity = std::stof(aux); // backwards compatibility } LayerData* clone() final { return new LayerBallAndStick(serialize()); } void setupWidget(BallAndStick* slot) { if (!widget) { widget = new QWidget(qobject_cast(slot->parent())); auto* v = new QVBoxLayout; auto* f = new QFormLayout; auto* atomRadiusSlider = new QSlider(Qt::Horizontal); atomRadiusSlider->setMinimum(1); atomRadiusSlider->setMaximum(9); atomRadiusSlider->setTickInterval(1); atomRadiusSlider->setValue(atomScale * 10); QObject::connect(atomRadiusSlider, &QSlider::valueChanged, slot, &BallAndStick::atomRadiusChanged); f->addRow(QObject::tr("Atom scale"), atomRadiusSlider); auto* bondRadiusSlider = new QSlider(Qt::Horizontal); bondRadiusSlider->setMinimum(1); bondRadiusSlider->setMaximum(8); bondRadiusSlider->setTickInterval(1); bondRadiusSlider->setValue(bondRadius * 10); QObject::connect(bondRadiusSlider, &QSlider::valueChanged, slot, &BallAndStick::bondRadiusChanged); f->addRow(QObject::tr("Bond scale"), bondRadiusSlider); auto* opacitySlider = new QSlider(Qt::Horizontal); opacitySlider->setMinimum(0); opacitySlider->setMaximum(100); opacitySlider->setTickInterval(1); opacitySlider->setValue(static_cast(opacity * 100)); QObject::connect(opacitySlider, &QSlider::valueChanged, slot, &BallAndStick::opacityChanged); f->addRow(QObject::tr("Opacity"), opacitySlider); v->addLayout(f); auto* check = new QCheckBox(QObject::tr("Show multiple bonds")); check->setChecked(multiBonds); QObject::connect(check, &QCheckBox::clicked, slot, &BallAndStick::multiBonds); v->addWidget(check); check = new QCheckBox(QObject::tr("Show hydrogens")); check->setChecked(showHydrogens); QObject::connect(check, &QCheckBox::clicked, slot, &BallAndStick::showHydrogens); v->addWidget(check); v->addStretch(1); widget->setLayout(v); } } }; BallAndStick::BallAndStick(QObject* p) : ScenePlugin(p), m_group(nullptr) { m_layerManager = PluginLayerManager(m_name); } BallAndStick::~BallAndStick() {} void BallAndStick::process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) { m_layerManager.load(); // Add a sphere node to contain all of the spheres. m_group = &node; auto* geometry = new GeometryNode; node.addChild(geometry); auto* spheres = new SphereGeometry; spheres->identifier().molecule = reinterpret_cast(&molecule); spheres->identifier().type = Rendering::AtomType; geometry->addDrawable(spheres); // if we have to draw any translucent spheres, we need to add a separate // geometry node for them auto translucentSpheres = new SphereGeometry; translucentSpheres->setRenderPass(Rendering::TranslucentPass); translucentSpheres->identifier().molecule = reinterpret_cast(&molecule); translucentSpheres->identifier().type = Rendering::AtomType; geometry->addDrawable(translucentSpheres); // for the selected atoms auto selectedSpheres = new SphereGeometry; selectedSpheres->setOpacity(0.42); geometry->addDrawable(selectedSpheres); for (Index i = 0; i < molecule.atomCount(); ++i) { Core::Atom atom = molecule.atom(i); if (!m_layerManager.atomEnabled(i)) { continue; } unsigned char atomicNumber = atom.atomicNumber(); auto* interface = m_layerManager.getSetting( m_layerManager.getLayerID(i)); if (atomicNumber == 1 && !interface->showHydrogens) continue; Vector3ub color = atom.color(); auto radius = static_cast(Elements::radiusVDW(atomicNumber)); float scale = interface->atomScale; if (interface->opacity < 1.0f) { translucentSpheres->addSphere(atom.position3d().cast(), color, radius * scale, i); translucentSpheres->setOpacity(interface->opacity); } else spheres->addSphere(atom.position3d().cast(), color, radius * scale, i); if (atom.selected()) { // add the selected indicator color = Vector3ub(0, 0, 255); radius *= 1.2; selectedSpheres->addSphere(atom.position3d().cast(), color, radius * scale, i); } } auto* cylinders = new CylinderGeometry; cylinders->identifier().molecule = &molecule; cylinders->identifier().type = Rendering::BondType; geometry->addDrawable(cylinders); auto* translucentBonds = new CylinderGeometry; translucentBonds->setRenderPass(Rendering::TranslucentPass); translucentBonds->identifier().molecule = &molecule; translucentBonds->identifier().type = Rendering::BondType; float opacity = 1.0f; // for any translucent bonds geometry->addDrawable(translucentBonds); for (Index i = 0; i < molecule.bondCount(); ++i) { Core::Bond bond = molecule.bond(i); if (!m_layerManager.bondEnabled(bond.atom1().index(), bond.atom2().index())) { continue; } auto* interface1 = m_layerManager.getSetting( m_layerManager.getLayerID(bond.atom1().index())); auto* interface2 = m_layerManager.getSetting( m_layerManager.getLayerID(bond.atom2().index())); if (!interface1->showHydrogens && !interface2->showHydrogens && (bond.atom1().atomicNumber() == 1 || bond.atom2().atomicNumber() == 1)) { continue; } bool doOpaque = true; if (interface1->opacity < 1.0f || interface2->opacity < 1.0f) { opacity = std::min(interface1->opacity, interface2->opacity); translucentBonds->setOpacity(opacity); doOpaque = false; } float bondRadius = (interface1->bondRadius + interface2->bondRadius) * 0.5f; Vector3f pos1 = bond.atom1().position3d().cast(); Vector3f pos2 = bond.atom2().position3d().cast(); Vector3ub color1 = bond.atom1().color(); Vector3ub color2 = bond.atom2().color(); Vector3f bondVector = pos2 - pos1; float bondLength = bondVector.norm(); bondVector /= bondLength; switch (interface1->multiBonds || interface2->multiBonds ? bond.order() : 1) { case 3: { Vector3f delta = bondVector.unitOrthogonal(); // Rotate 45 degrees around the bond vector. Eigen::Quaternionf q; q = Eigen::AngleAxisf(45.0f * DEG_TO_RAD_F, bondVector); delta = q * delta * 2.0f * bondRadius; if (doOpaque) { cylinders->addCylinder(pos1 + delta, pos2 + delta, bondRadius * 1.15, color1, color2, i); cylinders->addCylinder(pos1 - delta, pos2 - delta, bondRadius * 1.15, color1, color2, i); } else { translucentBonds->addCylinder(pos1 + delta, pos2 + delta, bondRadius * 1.15, color1, color2, i); translucentBonds->addCylinder(pos1 - delta, pos2 - delta, bondRadius * 1.15, color1, color2, i); } // This relies upon the single bond case below for the third cylinder. [[fallthrough]]; } default: case 1: if (doOpaque) { cylinders->addCylinder(pos1, pos2, m_bondRadius, color1, color2, i); } else { translucentBonds->addCylinder(pos1, pos2, m_bondRadius, color1, color2, i); } break; case 2: { Vector3f delta = bondVector.unitOrthogonal(); // Rotate 45 degrees around the bond vector. Eigen::Quaternionf q; q = Eigen::AngleAxisf(45.0f * DEG_TO_RAD_F, bondVector); delta = q * delta * bondRadius; if (doOpaque) { cylinders->addCylinder(pos1 + delta, pos2 + delta, bondRadius * 1.3, color1, color2, i); cylinders->addCylinder(pos1 - delta, pos2 - delta, bondRadius * 1.3, color1, color2, i); } else { translucentBonds->addCylinder(pos1 + delta, pos2 + delta, bondRadius * 1.3, color1, color2, i); translucentBonds->addCylinder(pos1 - delta, pos2 - delta, bondRadius * 1.3, color1, color2, i); } } } } } QWidget* BallAndStick::setupWidget() { auto* interface = m_layerManager.getSetting(); interface->setupWidget(this); return interface->widget; } void BallAndStick::opacityChanged(int opacity) { m_opacity = static_cast(opacity) / 100.0f; auto* interface = m_layerManager.getSetting(); if (m_opacity != interface->opacity) { interface->opacity = m_opacity; emit drawablesChanged(); } QSettings settings; settings.setValue("ballandstick/opacity", m_opacity); } void BallAndStick::atomRadiusChanged(int value) { m_atomScale = static_cast(value) / 10.0f; auto* interface = m_layerManager.getSetting(); if (m_atomScale != interface->atomScale) { interface->atomScale = m_atomScale; emit drawablesChanged(); } QSettings settings; settings.setValue("ballandstick/atomScale", m_atomScale); } void BallAndStick::bondRadiusChanged(int value) { m_bondRadius = static_cast(value) / 10.0f; auto* interface = m_layerManager.getSetting(); if (m_bondRadius != interface->bondRadius) { interface->bondRadius = m_bondRadius; emit drawablesChanged(); } QSettings settings; settings.setValue("ballandstick/bondRadius", m_bondRadius); } void BallAndStick::multiBonds(bool show) { auto* interface = m_layerManager.getSetting(); if (show != interface->multiBonds) { interface->multiBonds = show; emit drawablesChanged(); } QSettings settings; settings.setValue("ballandstick/multiBonds", show); } void BallAndStick::showHydrogens(bool show) { auto* interface = m_layerManager.getSetting(); if (show != interface->showHydrogens) { interface->showHydrogens = show; emit drawablesChanged(); } QSettings settings; settings.setValue("ballandstick/showHydrogens", show); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/ballandstick/ballandstick.h000066400000000000000000000031021474375334400254260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_BALLANDSTICK_H #define AVOGADRO_QTPLUGINS_BALLANDSTICK_H #include namespace Avogadro::QtPlugins { /** * @brief Render a molecule in the ball and stick style. * @author Allison Vacanti */ class BallAndStick : public QtGui::ScenePlugin { Q_OBJECT public: explicit BallAndStick(QObject* parent = nullptr); ~BallAndStick() override; void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; QString name() const override { return tr("Ball and Stick"); } QString description() const override { return tr("Render atoms as spheres and bonds as cylinders."); } QWidget* setupWidget() override; bool hasSetupWidget() const override { return true; } DefaultBehavior defaultBehavior() const override { return DefaultBehavior::True; } public slots: void atomRadiusChanged(int value); void bondRadiusChanged(int value); void multiBonds(bool show); void showHydrogens(bool show); void opacityChanged(int value); private: Rendering::GroupNode* m_group; std::string m_name = "Ball and Stick"; float m_atomScale = 0.3f; float m_bondRadius = 0.1f; float m_opacity = 1.0f; }; } // end namespace Avogadro::QtPlugins #endif // AVOGADRO_QTPLUGINS_BALLANDSTICK_H avogadrolibs-1.100.0/avogadro/qtplugins/bondcentrictool/000077500000000000000000000000001474375334400233635ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/bondcentrictool/CMakeLists.txt000066400000000000000000000005611474375334400261250ustar00rootroot00000000000000set(bondcentrictool_srcs bondcentrictool.cpp ) set(bondcentrictool_uis ) set(bondcentrictool_rcs bondcentrictool.qrc ) avogadro_plugin(BondCentric "Bond-centric" ToolPlugin bondcentrictool.h BondCentricTool "${bondcentrictool_srcs}" "${bondcentrictool_uis}" "${bondcentrictool_rcs}" ) target_link_libraries(BondCentric PRIVATE Avogadro::QtOpenGL) avogadrolibs-1.100.0/avogadro/qtplugins/bondcentrictool/bondcentric_dark.svg000066400000000000000000000050501474375334400273770ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/bondcentrictool/bondcentric_light.svg000066400000000000000000000050501474375334400275650ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/bondcentrictool/bondcentrictool.cpp000066400000000000000000001041221474375334400272570ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Adapted from Avogadro 1.x with the following authors' permission: Copyright (C) 2007 by Shahzad Ali Copyright (C) 2007 by Ross Braithwaite Copyright (C) 2007 by James Bunt Copyright (C) 2007,2008 by Marcus D. Hanwell Copyright (C) 2006,2007 by Benoit Jacob This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "bondcentrictool.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #ifndef M_PI #define M_PI 3.14159265358979323846 #endif namespace Avogadro::QtPlugins { using Core::Array; using QtGui::Molecule; using QtGui::RWAtom; using QtGui::RWBond; using QtGui::RWMolecule; using Rendering::ArcSector; using Rendering::ArcStrip; using Rendering::GeometryNode; using Rendering::Quad; using Rendering::QuadOutline; namespace { const std::string degreeString("°"); /// @todo Add wide character support to text renderer. const std::string angstromString("Å"); // Lookup for coloring bond angles: const Vector3ub& getColor(size_t i) { static std::vector colors; if (colors.empty()) { colors.emplace_back(255, 64, 32); colors.emplace_back(64, 255, 32); colors.emplace_back(32, 64, 255); colors.emplace_back(255, 255, 32); colors.emplace_back(255, 32, 255); colors.emplace_back(32, 255, 255); colors.emplace_back(255, 128, 0); colors.emplace_back(128, 255, 0); colors.emplace_back(0, 255, 128); colors.emplace_back(0, 128, 255); colors.emplace_back(255, 0, 128); colors.emplace_back(128, 0, 255); } return colors[i % colors.size()]; } // Returns unsigned, smallest angle between v1 and v2 inline float vectorAngleDegrees(const Vector3f& v1, const Vector3f& v2) { const float crossProductNorm(v1.cross(v2).norm()); const float dotProduct(v1.dot(v2)); return std::atan2(crossProductNorm, dotProduct) * RAD_TO_DEG_F; } // Returns signed, smallest angle between v1 and v2. Sign is determined from a // right hand rule around axis. inline float vectorAngleDegrees(const Vector3f& v1, const Vector3f& v2, const Vector3f& axis) { const Vector3f crossProduct(v1.cross(v2)); const float crossProductNorm(crossProduct.norm()); const float dotProduct(v1.dot(v2)); const float signDet(crossProduct.dot(axis)); const float angle(std::atan2(crossProductNorm, dotProduct) * RAD_TO_DEG_F); return signDet > 0.f ? angle : -angle; } } // namespace BondCentricTool::BondCentricTool(QObject* parent_) : QtGui::ToolPlugin(parent_), m_activateAction(new QAction(this)), m_molecule(nullptr), m_renderer(nullptr), m_moveState(IgnoreMove), m_planeSnapIncr(10.f), m_snapPlaneToBonds(true) { QString shortcut = tr("Ctrl+7", "control-key 7"); m_activateAction->setText(tr("Bond-Centric Manipulation")); m_activateAction->setToolTip( tr("Bond Centric Manipulation Tool \t(%1)\n\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length").arg(shortcut)); setIcon(); } BondCentricTool::~BondCentricTool() {} void BondCentricTool::setIcon(bool darkTheme) { if (darkTheme) m_activateAction->setIcon(QIcon(":/icons/bondcentric_dark.svg")); else m_activateAction->setIcon(QIcon(":/icons/bondcentric_light.svg")); } QWidget* BondCentricTool::toolWidget() const { return nullptr; } void BondCentricTool::setMolecule(QtGui::Molecule* mol) { if (mol && mol->undoMolecule() != m_molecule) { m_molecule = mol->undoMolecule(); reset(); } } void BondCentricTool::setEditMolecule(QtGui::RWMolecule* mol) { if (m_molecule != mol) { m_molecule = mol; reset(); } } void BondCentricTool::setGLWidget(QtOpenGL::GLWidget*) {} void BondCentricTool::setGLRenderer(Rendering::GLRenderer* ren) { m_renderer = ren; } QUndoCommand* BondCentricTool::mousePressEvent(QMouseEvent* e) { // Don't start a new operation if we're already working: if (m_moveState != IgnoreMove) return nullptr; Rendering::Identifier ident = m_renderer->hit(e->pos().x(), e->pos().y()); // If no hits, return. Also ensure that the hit molecule is the one we expect. if (!ident.isValid() || ident.molecule != &m_molecule->molecule()) return nullptr; // If the hit is a left click on a bond, make it the selected bond and map // mouse movements to the bond plane rotation. if (ident.type == Rendering::BondType && e->button() == Qt::LeftButton) return initRotatePlane(e, ident); // Return if selectedBond is not valid or the hit is not on a bond: if (!m_selectedBond.isValid() || ident.type != Rendering::AtomType) return nullptr; // Test if the atom is in the selected bond, or one bond removed. RWAtom clickedAtom = m_molecule->atom(ident.index); RWBond selectedBond = m_selectedBond.bond(); bool atomIsInBond = bondContainsAtom(selectedBond, clickedAtom); bool atomIsNearBond = false; RWAtom anchorAtom; if (!atomIsInBond) { Array bonds = m_molecule->bonds(clickedAtom); for (auto& bond : bonds) { RWAtom atom = bond.getOtherAtom(clickedAtom); if (bondContainsAtom(selectedBond, atom)) { anchorAtom = atom; atomIsNearBond = true; break; } } } if (!atomIsInBond && !atomIsNearBond) return nullptr; if (m_molecule) { m_molecule->setInteractive(true); } // If the hit is a left click on an atom in the selected bond, prepare to // rotate the clicked bond around the other atom in the bond. if (atomIsInBond && e->button() == Qt::LeftButton) return initRotateBondedAtom(e, clickedAtom); // If the hit is a right click on an atom in the selected bond, prepare to // change the bond length. if (atomIsInBond && e->button() == Qt::RightButton) return initAdjustBondLength(e, clickedAtom); // Is the hit a left click on an atom bonded to an atom in selectedBond? if (atomIsNearBond && (e->button() == Qt::LeftButton || e->button() == Qt::RightButton)) { return initRotateNeighborAtom(e, clickedAtom, anchorAtom); } return nullptr; } QUndoCommand* BondCentricTool::mouseDoubleClickEvent(QMouseEvent* e) { if (m_selectedBond.isValid() && e->button() == Qt::LeftButton) { reset(); emit drawablesChanged(); } return nullptr; } QUndoCommand* BondCentricTool::mouseMoveEvent(QMouseEvent* e) { if (m_moveState == IgnoreMove) return nullptr; QUndoCommand* result = nullptr; switch (m_moveState) { case RotatePlane: result = rotatePlane(e); break; case RotateBondedAtom: result = rotateBondedAtom(e); break; case AdjustBondLength: result = adjustBondLength(e); break; case RotateNeighborAtom: result = rotateNeighborAtom(e); break; default: break; } return result; } QUndoCommand* BondCentricTool::mouseReleaseEvent(QMouseEvent*) { if (m_moveState != IgnoreMove) { reset(KeepBond); emit drawablesChanged(); if (m_molecule) { m_molecule->setInteractive(false); // allow an undo now } } return nullptr; } void BondCentricTool::draw(Rendering::GroupNode& node) { RWBond selectedBond = m_selectedBond.bond(); if (!selectedBond.isValid()) return; auto* geo = new GeometryNode; node.addChild(geo); switch (m_moveState) { default: case IgnoreMove: case RotatePlane: drawBondQuad(*geo, selectedBond); drawAtomBondAngles(*geo, selectedBond.atom1(), selectedBond); drawAtomBondAngles(*geo, selectedBond.atom2(), selectedBond); break; case RotateBondedAtom: { drawBondQuad(*geo, selectedBond); RWAtom otherAtom = selectedBond.getOtherAtom(m_clickedAtom.atom()); if (otherAtom.isValid()) { drawAtomBondAngles(*geo, otherAtom, selectedBond); } break; } case AdjustBondLength: drawBondQuad(*geo, selectedBond); drawBondLengthLabel(*geo, selectedBond); break; case RotateNeighborAtom: { RWAtom clickedAtom = m_clickedAtom.atom(); RWAtom anchorAtom = m_anchorAtom.atom(); RWBond otherBond = m_molecule->bond(clickedAtom, anchorAtom); if (otherBond.isValid()) drawBondAngle(*geo, selectedBond, otherBond); break; } } } void BondCentricTool::reset(BondCentricTool::ResetBondBehavior bond) { if (bond == ResetBond) m_selectedBond.reset(); m_clickedAtom.reset(); m_anchorAtom.reset(); m_moveState = IgnoreMove; m_clickedPoint = QPoint(); } void BondCentricTool::initializeBondVectors() { RWBond bond = m_selectedBond.bond(); if (bond.isValid()) { m_bondVector = (bond.atom2().position3d().cast() - bond.atom1().position3d().cast()) .normalized(); m_planeNormalMouse = m_bondVector.unitOrthogonal(); } } void BondCentricTool::updateBondVector() { RWBond bond = m_selectedBond.bond(); if (bond.isValid()) { m_bondVector = (bond.atom2().position3d().cast() - bond.atom1().position3d().cast()) .normalized(); } } QUndoCommand* BondCentricTool::initRotatePlane( QMouseEvent* e, const Rendering::Identifier& ident) { RWBond selectedBond = m_molecule->bond(ident.index); // Get unique id: Index bondUniqueId = m_molecule->bondUniqueId(selectedBond); if (bondUniqueId == MaxIndex) return nullptr; // Something went horribly wrong. // Reset the bond vector/plane normal if the bond changed if (bondUniqueId != m_selectedBond.uniqueIdentifier()) { m_selectedBond = QtGui::RWMolecule::PersistentBondType(m_molecule, bondUniqueId); initializeBondVectors(); } updatePlaneSnapAngles(); updateSnappedPlaneNormal(); if (!m_selectedBond.isValid()) return nullptr; e->accept(); m_moveState = RotatePlane; m_clickedPoint = e->pos(); m_lastDragPoint = e->pos(); emit drawablesChanged(); return nullptr; } QUndoCommand* BondCentricTool::initRotateBondedAtom( QMouseEvent* e, const QtGui::RWAtom& clickedAtom) { m_clickedAtom = RWMolecule::PersistentAtomType(clickedAtom); if (!m_clickedAtom.isValid()) return nullptr; e->accept(); m_moveState = RotateBondedAtom; m_clickedPoint = e->pos(); m_lastDragPoint = e->pos(); resetFragment(); emit drawablesChanged(); return nullptr; } QUndoCommand* BondCentricTool::initAdjustBondLength( QMouseEvent* e, const QtGui::RWAtom& clickedAtom) { m_clickedAtom = RWMolecule::PersistentAtomType(clickedAtom); if (!m_clickedAtom.isValid()) return nullptr; e->accept(); m_moveState = AdjustBondLength; m_clickedPoint = e->pos(); m_lastDragPoint = e->pos(); resetFragment(); emit drawablesChanged(); return nullptr; } QUndoCommand* BondCentricTool::initRotateNeighborAtom( QMouseEvent* e, const QtGui::RWAtom& clickedAtom, const QtGui::RWAtom& anchorAtom) { m_clickedAtom = RWMolecule::PersistentAtomType(clickedAtom); m_anchorAtom = RWMolecule::PersistentAtomType(anchorAtom); if (!m_clickedAtom.isValid() || !m_anchorAtom.isValid()) return nullptr; e->accept(); m_moveState = RotateNeighborAtom; m_clickedPoint = e->pos(); m_lastDragPoint = e->pos(); resetFragment(); emit drawablesChanged(); return nullptr; } QUndoCommand* BondCentricTool::rotatePlane(QMouseEvent* e) { // The bond should be valid. const RWBond selectedBond = m_selectedBond.bond(); if (!selectedBond.isValid()) return nullptr; const QPoint deltaDrag = e->pos() - m_lastDragPoint; const Rendering::Camera& camera(m_renderer->camera()); // Atomic position in world coordinates const Vector3 beginPos(selectedBond.atom1().position3d()); const Vector3 endPos(selectedBond.atom2().position3d()); // Various quantities in window coordinates. const Vector3f beginWin(camera.project(beginPos.cast())); const Vector3f endWin(camera.project(endPos.cast())); Vector3f bondVecWin(endWin - beginWin); bondVecWin.z() = 0.f; // Points into the viewing volume from camera: const Vector3f zAxisWin(0.f, 0.f, 1.f); // In plane of screen, orthogonal to bond: const Vector3f orthoWin(zAxisWin.cross(bondVecWin).normalized()); const Vector3f dragWin(static_cast(deltaDrag.x()), static_cast(deltaDrag.y()), 0.f); // Compute the rotation. Not quite sure what's going on here, this is just // ported from Avogadro 1. It doesn't seem right that rotation would be in // degrees (it's the result of a dot product) and I think the fact that the // DEG_TO_RAD conversion results in a useful angle is just a happy // coincidence. But it works quite well. const float rotation = dragWin.dot(orthoWin) / orthoWin.norm(); const Eigen::AngleAxisf rotator(rotation * DEG_TO_RAD_F, m_bondVector); // Rotate m_planeNormalMouse = rotator * m_planeNormalMouse; updateSnappedPlaneNormal(); emit drawablesChanged(); m_lastDragPoint = e->pos(); return nullptr; } QUndoCommand* BondCentricTool::rotateBondedAtom(QMouseEvent* e) { // Ensure that the mouse has moved a reasonable amount: if ((m_lastDragPoint - e->pos()).manhattanLength() < 2) return nullptr; RWBond bond = m_selectedBond.bond(); RWAtom clickedAtom = m_clickedAtom.atom(); RWAtom centerAtom = bond.getOtherAtom(clickedAtom); // Sanity check: if (!bond.isValid() || !clickedAtom.isValid() || !centerAtom.isValid()) return nullptr; // Compute the transformation: // - Rotation axis is m_planeNormal // - Rotation angle is: // - magnitude is angle between initial click and current pos around // center atom (performed in 2D). // - sign is based on whether m_planeNormal is pointing into/out of the // screen. const Rendering::Camera& camera(m_renderer->camera()); // Get the window coordinates of the relevant points const Vector3f centerPos(centerAtom.position3d().cast()); const Vector3f centerWin(camera.project(centerPos)); const Vector2f centerWin2(centerWin.head<2>()); const Vector2f lastDragWin( static_cast(m_lastDragPoint.x()), static_cast(camera.height() - m_lastDragPoint.y())); const Vector2f dragWin(static_cast(e->pos().x()), static_cast(camera.height() - e->pos().y())); // Compute the angle between last drag and current drag positions const Vector2f lastDragWinVec((lastDragWin - centerWin2).normalized()); const Vector2f dragWinVec((dragWin - centerWin2).normalized()); const float crossProductNorm(lastDragWinVec.x() * dragWinVec.y() - lastDragWinVec.y() * dragWinVec.x()); const float dotProduct(lastDragWinVec.dot(dragWinVec)); const float angle(std::atan2(crossProductNorm, dotProduct)); // Figure out if the sign needs to be reversed: const Vector3f centerPlusNormal(centerPos + m_planeNormal); const Vector3f centerPlusNormalWin(camera.project(centerPlusNormal)); bool reverseSign = (centerPlusNormalWin.z() - centerWin.z()) >= 0; // Build transform m_transform.setIdentity(); m_transform.translate(centerPos); m_transform.rotate( Eigen::AngleAxisf(reverseSign ? -angle : angle, m_planeNormal)); m_transform.translate(-centerPos); // Build the fragment if needed: if (m_fragment.empty()) buildFragment(bond, clickedAtom); // Perform transformation transformFragment(); updateBondVector(); m_molecule->emitChanged(Molecule::Modified | Molecule::Atoms); emit drawablesChanged(); m_lastDragPoint = e->pos(); return nullptr; } QUndoCommand* BondCentricTool::adjustBondLength(QMouseEvent* e) { // Ensure that the mouse has moved a reasonable amount: if ((m_lastDragPoint - e->pos()).manhattanLength() < 2) return nullptr; RWBond selectedBond = m_selectedBond.bond(); RWAtom clickedAtom = m_clickedAtom.atom(); // Sanity check: if (!selectedBond.isValid() || !clickedAtom.isValid()) return nullptr; const Rendering::Camera& camera(m_renderer->camera()); RWAtom otherAtom = selectedBond.getOtherAtom(clickedAtom); const Vector2f curPosWin(static_cast(e->pos().x()), static_cast(e->pos().y())); const Vector2f lastPosWin(static_cast(m_lastDragPoint.x()), static_cast(m_lastDragPoint.y())); const Vector3f bond(clickedAtom.position3d().cast() - otherAtom.position3d().cast()); const Vector3f mouse(camera.unProject(curPosWin) - camera.unProject(lastPosWin)); const Vector3f displacement((mouse.dot(bond) / bond.squaredNorm()) * bond); // Build transform m_transform.setIdentity(); m_transform.translate(displacement); // Build the fragment if needed: if (m_fragment.empty()) buildFragment(selectedBond, clickedAtom); // Perform transformation transformFragment(); m_molecule->emitChanged(QtGui::Molecule::Modified | QtGui::Molecule::Atoms); emit drawablesChanged(); m_lastDragPoint = e->pos(); return nullptr; } QUndoCommand* BondCentricTool::rotateNeighborAtom(QMouseEvent* e) { // Ensure that the mouse has moved a reasonable amount: if ((m_lastDragPoint - e->pos()).manhattanLength() < 2) return nullptr; RWBond selectedBond = m_selectedBond.bond(); // Atom that was clicked RWAtom clickedAtom = m_clickedAtom.atom(); // Atom in selected bond also attached to clickedAtom RWAtom anchorAtom = m_anchorAtom.atom(); // The "other" atom in selected bond RWAtom otherAtom = selectedBond.getOtherAtom(anchorAtom); // Sanity check: if (!selectedBond.isValid() || !anchorAtom.isValid() || !otherAtom.isValid() || !clickedAtom.isValid()) { return nullptr; } const Rendering::Camera& camera(m_renderer->camera()); // Compute the angle between last drag and current drag positions const Vector3f center(anchorAtom.position3d().cast()); const Vector3f centerProj(camera.project(center)); const Vector2f centerWin(centerProj.head<2>()); const Vector2f curWin(static_cast(e->pos().x()), static_cast(camera.height() - e->pos().y())); const Vector2f lastWin( static_cast(m_lastDragPoint.x()), static_cast(camera.height() - m_lastDragPoint.y())); const Vector2f curVecWin((curWin - centerWin).normalized()); const Vector2f lastVecWin((lastWin - centerWin).normalized()); const float crossProductNorm(lastVecWin.x() * curVecWin.y() - lastVecWin.y() * curVecWin.x()); const float dotProduct(lastVecWin.dot(curVecWin)); const float angle(std::atan2(crossProductNorm, dotProduct)); // Figure out if the sign needs to be reversed: const Vector3f other(otherAtom.position3d().cast()); const Vector3f otherProj(camera.project(other)); const bool reverseSign = otherProj.z() <= centerProj.z(); // Axis of rotation const Vector3f axis((center - other).normalized()); // Build transform m_transform.setIdentity(); m_transform.translate(center); m_transform.rotate(Eigen::AngleAxisf(reverseSign ? -angle : angle, axis)); m_transform.translate(-center); // Build the fragment if needed: if (m_fragment.empty()) buildFragment(selectedBond, anchorAtom); // Perform transformation transformFragment(); updateBondVector(); m_molecule->emitChanged(QtGui::Molecule::Modified | QtGui::Molecule::Atoms); emit drawablesChanged(); m_lastDragPoint = e->pos(); return nullptr; } void BondCentricTool::drawBondQuad(Rendering::GeometryNode& node, const RWBond& bond) const { const Vector3f atom1Pos(bond.atom1().position3d().cast()); const Vector3f atom2Pos(bond.atom2().position3d().cast()); Vector3f offset(m_bondVector.cross(m_planeNormal)); const Vector3f v1(atom1Pos + offset); const Vector3f v2(atom2Pos + offset); const Vector3f v3(atom1Pos - offset); const Vector3f v4(atom2Pos - offset); Quad* quad = new Quad; node.addDrawable(quad); quad->setColor(Vector3ub(63, 127, 255)); quad->setOpacity(127); quad->setRenderPass(Rendering::TranslucentPass); quad->setQuad(v1, v2, v3, v4); auto* quadOutline = new QuadOutline; node.addDrawable(quadOutline); quadOutline->setColor(Vector3ub(63, 127, 255)); quadOutline->setRenderPass(Rendering::OpaquePass); quadOutline->setQuad(v1, v2, v3, v4, 1.f); // If the plane is rotating, show a hint for the unsnapped plane. if (m_moveState == RotatePlane) { Vector3f moffset(m_bondVector.cross(m_planeNormalMouse)); const Vector3f mv1(atom1Pos + moffset); const Vector3f mv2(atom2Pos + moffset); const Vector3f mv3(atom1Pos - moffset); const Vector3f mv4(atom2Pos - moffset); auto* mouseQuadOutline = new QuadOutline; node.addDrawable(mouseQuadOutline); mouseQuadOutline->setColor(Vector3ub(255, 255, 255)); mouseQuadOutline->setOpacity(127); mouseQuadOutline->setRenderPass(Rendering::TranslucentPass); mouseQuadOutline->setQuad(mv1, mv2, mv3, mv4, 1.f); } } void BondCentricTool::drawBondAngle(Rendering::GeometryNode& node, const QtGui::RWBond& selectedBond, const QtGui::RWBond& movingBond) const { // Draw the selected bond quad as usual drawBondQuad(node, selectedBond); // Determine the atom shared between the bonds (atom1). RWAtom atom1; RWAtom atom2; if (selectedBond.atom1() == movingBond.atom1() || selectedBond.atom2() == movingBond.atom1()) { atom1 = movingBond.atom1(); atom2 = movingBond.atom2(); } else if (selectedBond.atom1() == movingBond.atom2() || selectedBond.atom2() == movingBond.atom2()) { atom1 = movingBond.atom2(); atom2 = movingBond.atom1(); } if (!atom1.isValid()) return; // Add another quad in the plane normal to // m_bondVector.cross(movingBondVector) const Vector3f a1(atom1.position3d().cast()); const Vector3f a2(atom2.position3d().cast()); const Vector3f movingBondVector(a2 - a1); const Vector3f movingBondUnitVector(movingBondVector.normalized()); // calculate a vector in the plane spanned by movingBondVector and // m_bondVector that is orthogonal to m_bondVector, then project // movingBondVector onto it. This is used to calculate the 'new' a2. const Vector3f movingBondNormal(m_bondVector.cross(movingBondUnitVector)); const Vector3f newA2Direction(movingBondNormal.cross(m_bondVector)); const Vector3f movingBondVectorProj(movingBondVector.dot(newA2Direction) * newA2Direction); const Vector3f newA2(a1 + movingBondVectorProj); const Vector3f& movingBondOffset(m_bondVector); const Vector3f v1(a1 + movingBondOffset); const Vector3f v2(newA2 + movingBondOffset); const Vector3f v3(a1 - movingBondOffset); const Vector3f v4(newA2 - movingBondOffset); Quad* quad = new Quad; node.addDrawable(quad); quad->setColor(Vector3ub(63, 127, 255)); quad->setOpacity(127); quad->setRenderPass(Rendering::TranslucentPass); quad->setQuad(v1, v2, v3, v4); auto* quadOutline = new QuadOutline; node.addDrawable(quadOutline); quadOutline->setColor(Vector3ub(63, 127, 255)); quadOutline->setRenderPass(Rendering::OpaquePass); quadOutline->setQuad(v1, v2, v3, v4, 1.f); // Add an arc and label to show a bit more info: const Vector3f selectedBondOffset(m_planeNormal.cross(m_bondVector)); const float radius(movingBondVector.norm() * 0.75f); Vector3f startEdge(newA2Direction * radius); Vector3f normal(m_bondVector); float angle = vectorAngleDegrees(startEdge, selectedBondOffset, normal); float displayAngle = std::fabs(angle); auto* sect = new ArcSector; node.addDrawable(sect); sect->setColor(Vector3ub(255, 127, 63)); sect->setOpacity(127); sect->setRenderPass(Rendering::TranslucentPass); sect->setArcSector(a1, startEdge, normal, angle, 5.f); auto* arc = new ArcStrip; node.addDrawable(arc); arc->setColor(Vector3ub(255, 127, 63)); arc->setRenderPass(Rendering::OpaquePass); arc->setArc(a1, startEdge, normal, angle, 5.f, 1.f); const Vector3f& textPos(a1); auto* label = new Rendering::TextLabel3D; label->setText(tr("%L1°").arg(displayAngle, 5, 'f', 1).toStdString()); label->setRenderPass(Rendering::Overlay3DPass); label->setAnchor(textPos); node.addDrawable(label); Rendering::TextProperties tprop; tprop.setAlign(Rendering::TextProperties::HCenter, Rendering::TextProperties::VCenter); tprop.setFontFamily(Rendering::TextProperties::SansSerif); tprop.setColorRgb(255, 200, 64); label->setTextProperties(tprop); } void BondCentricTool::drawBondLengthLabel(Rendering::GeometryNode& node, const QtGui::RWBond& bond) { const Vector3f startPos(bond.atom1().position3d().cast()); const Vector3f endPos(bond.atom2().position3d().cast()); const Vector3f bondCenter((startPos + endPos) * 0.5f); const Vector3f bondVector(endPos - startPos); auto* label = new Rendering::TextLabel3D; label->setText(tr("%L1 Å").arg(bondVector.norm(), 4, 'f', 2).toStdString()); label->setRenderPass(Rendering::Overlay3DPass); label->setAnchor(bondCenter); node.addDrawable(label); Rendering::TextProperties tprop; tprop.setAlign(Rendering::TextProperties::HCenter, Rendering::TextProperties::VCenter); tprop.setFontFamily(Rendering::TextProperties::SansSerif); tprop.setColorRgb(255, 200, 64); label->setTextProperties(tprop); } void BondCentricTool::drawAtomBondAngles(Rendering::GeometryNode& node, const RWAtom& atom, const RWBond& anchorBond) { const Array bonds = m_molecule->bonds(atom); auto bondIter(bonds.begin()); auto bondEnd(bonds.end()); size_t count = 0; while (bondIter != bondEnd) { if (*bondIter != anchorBond) drawAtomBondAngle(node, atom, anchorBond, *bondIter, getColor(count++)); ++bondIter; } } void BondCentricTool::drawAtomBondAngle(Rendering::GeometryNode& node, const QtGui::RWAtom& atom, const QtGui::RWBond& anchorBond, const QtGui::RWBond& otherBond, const Vector3ub& color) { const RWAtom otherAtom = otherBond.getOtherAtom(atom); const RWAtom otherAnchorAtom = anchorBond.getOtherAtom(atom); const Vector3f atomPos(atom.position3d().cast()); const Vector3f otherAtomPos(otherAtom.position3d().cast()); const Vector3f otherAnchorAtomPos(otherAnchorAtom.position3d().cast()); const Vector3f otherVector(otherAtomPos - atomPos); const Vector3f anchorVector(otherAnchorAtomPos - atomPos); const Vector3f anchorUnitVector(anchorVector.normalized()); const float radius(otherVector.norm() * 0.75f); const Vector3f& origin(atomPos); const Vector3f start(anchorUnitVector * radius); const Vector3f axis(anchorVector.cross(otherVector).normalized()); const float angle = vectorAngleDegrees(otherVector, anchorVector); const Vector3f& labelPos(otherAtomPos); auto* sect = new ArcSector; node.addDrawable(sect); sect->setColor(color); sect->setOpacity(127); sect->setRenderPass(Rendering::TranslucentPass); sect->setArcSector(origin, start, axis, angle, 5.f); auto* arc = new ArcStrip; node.addDrawable(arc); arc->setColor(color); arc->setRenderPass(Rendering::OpaquePass); arc->setArc(origin, start, axis, angle, 5.f, 1.f); auto* label = new Rendering::TextLabel3D; label->setText(tr("%L1°").arg(angle, 6, 'f', 1).toStdString()); label->setRenderPass(Rendering::Overlay3DPass); label->setAnchor(labelPos); node.addDrawable(label); Rendering::TextProperties tprop; tprop.setAlign(Rendering::TextProperties::HCenter, Rendering::TextProperties::VCenter); tprop.setFontFamily(Rendering::TextProperties::SansSerif); tprop.setColorRgb(color); label->setTextProperties(tprop); } inline bool BondCentricTool::bondContainsAtom(const QtGui::RWBond& bond, const QtGui::RWAtom& atom) const { return atom == bond.atom1() || atom == bond.atom2(); } inline void BondCentricTool::transformFragment() const { // Convert the internal float matrix to use the same precision as the atomic // coordinates. Eigen::Transform transform(m_transform.cast()); for (int it : m_fragment) { RWAtom atom = m_molecule->atomByUniqueId(it); if (atom.isValid()) { Vector3 pos = atom.position3d(); pos = transform * pos; atom.setPosition3d(pos); } } } void BondCentricTool::updatePlaneSnapAngles() { m_planeSnapRef = m_bondVector.unitOrthogonal(); m_planeSnapAngles.clear(); // Add bond angles if requested: RWBond selectedBond = m_selectedBond.bond(); if (m_snapPlaneToBonds && selectedBond.isValid()) { const RWAtom atom1 = selectedBond.atom1(); const RWAtom atom2 = selectedBond.atom2(); for (int i = 0; i < 2; ++i) { const RWAtom& atom = i == 0 ? atom1 : atom2; const Vector3f atomPos(atom.position3d().cast()); const Array bonds = m_molecule->bonds(atom); for (auto bond : bonds) { if (bond != selectedBond) { const RWAtom otherAtom(bond.getOtherAtom(atom)); const Vector3f otherAtomPos(otherAtom.position3d().cast()); const Vector3f otherBondVector(otherAtomPos - atomPos); // Project otherBondVector into the plane normal to m_bondVector // (e.g. the rejection of otherBondVector onto m_bondVector) const Vector3f rej( otherBondVector - (otherBondVector.dot(m_bondVector) * m_bondVector)); float angle(vectorAngleDegrees(m_planeSnapRef, rej, m_bondVector)); m_planeSnapAngles.insert(angle); angle += 180.f; if (angle > 180.f) angle -= 360.f; m_planeSnapAngles.insert(angle); } } } } // Add default increments only if they are more than 5 degrees away // from a bond angle. const float minDist(5.f); for (float angle = -180.f; angle < 180.f; angle += m_planeSnapIncr) { auto upper(m_planeSnapAngles.lower_bound(angle)); if (upper != m_planeSnapAngles.end()) { if (*upper - minDist < angle) continue; if (upper != m_planeSnapAngles.begin()) { auto lower(upper); std::advance(lower, -1); if (*lower + minDist > angle) continue; } m_planeSnapAngles.insert(angle); } } } // There may be some weirdness around +/-180 since we don't check for // wrapping, but it should be fine for this use case. void BondCentricTool::updateSnappedPlaneNormal() { const Vector3f mousePlaneVector(m_planeNormalMouse.cross(m_bondVector)); const float angle( vectorAngleDegrees(m_planeSnapRef, mousePlaneVector, m_bondVector)); float snappedAngle(angle); auto upper(m_planeSnapAngles.lower_bound(angle)); if (upper != m_planeSnapAngles.end()) { if (upper != m_planeSnapAngles.begin()) { auto lower(upper); std::advance(lower, -1); float upperDist = std::fabs(angle - *upper); float lowerDist = std::fabs(angle - *lower); snappedAngle = upperDist < lowerDist ? *upper : *lower; } else { snappedAngle = *upper; } } if (angle == snappedAngle) { // If the angle didn't change, keep on keepin' on: m_planeNormal = m_planeNormalMouse; } else { // Otherwise, update the vector. const Vector3f planeVector = Eigen::AngleAxisf(snappedAngle * DEG_TO_RAD_F, m_bondVector) * m_planeSnapRef; m_planeNormal = planeVector.cross(m_bondVector); } } inline bool BondCentricTool::fragmentHasAtom(int uid) const { return std::find(m_fragment.begin(), m_fragment.end(), uid) != m_fragment.end(); } void BondCentricTool::buildFragment(const QtGui::RWBond& bond, const QtGui::RWAtom& startAtom) { m_fragment.clear(); if (!buildFragmentRecurse(bond, startAtom, startAtom)) { // If this returns false, then a cycle has been found. Only move startAtom // in this case. m_fragment.clear(); } m_fragment.push_back(m_molecule->atomUniqueId(startAtom)); } bool BondCentricTool::buildFragmentRecurse(const QtGui::RWBond& bond, const QtGui::RWAtom& startAtom, const QtGui::RWAtom& currentAtom) { // does our cycle include both bonded atoms? const RWAtom bondedAtom(bond.getOtherAtom(startAtom)); Array bonds = m_molecule->bonds(currentAtom); for (auto& it : bonds) { if (it != bond) { // Skip the current bond const RWAtom nextAtom = it.getOtherAtom(currentAtom); if (nextAtom != startAtom && nextAtom != bondedAtom) { // Skip atoms that have already been added. This prevents infinite // recursion on cycles in the fragments int uid = m_molecule->atomUniqueId(nextAtom); if (!fragmentHasAtom(uid)) { m_fragment.push_back(uid); if (!buildFragmentRecurse(it, startAtom, nextAtom)) return false; } } else if (nextAtom == bondedAtom) { // If we've found the bonded atom, the bond is in a cycle return false; } } // *it != bond } // foreach bond return true; } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/bondcentrictool/bondcentrictool.h000066400000000000000000000141601474375334400267260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_BONDCENTRICTOOL_H #define AVOGADRO_QTPLUGINS_BONDCENTRICTOOL_H #include #include #include #include #include #include #include #include #include namespace Avogadro { namespace Rendering { class GeometryNode; } namespace QtPlugins { /** * @brief BondCentricTool manipulates molecular geometry by adjusting bond * angles/lengths. * * @note This class is adapted from the class of the same name in Avogadro 1.x, * written by Shahzad Ali, Ross Braithwaite, James Bunt, Marcus D. Hanwell, and * Benoit Jacob. */ class BondCentricTool : public QtGui::ToolPlugin { Q_OBJECT public: explicit BondCentricTool(QObject* parent_ = nullptr); ~BondCentricTool() override; QString name() const override; QString description() const override; unsigned char priority() const override { return 40; } QAction* activateAction() const override { return m_activateAction; } QWidget* toolWidget() const override; void setIcon(bool darkTheme = false) override; void setMolecule(QtGui::Molecule*) override; void setEditMolecule(QtGui::RWMolecule*) override; void setGLWidget(QtOpenGL::GLWidget* widget) override; void setGLRenderer(Rendering::GLRenderer* ren) override; QUndoCommand* mousePressEvent(QMouseEvent* e) override; QUndoCommand* mouseDoubleClickEvent(QMouseEvent* e) override; QUndoCommand* mouseMoveEvent(QMouseEvent* e) override; QUndoCommand* mouseReleaseEvent(QMouseEvent* e) override; void draw(Rendering::GroupNode& node) override; private: enum MoveState { IgnoreMove = 0, RotatePlane, RotateBondedAtom, AdjustBondLength, RotateNeighborAtom }; enum ResetBondBehavior { KeepBond = 0, ResetBond }; void reset(ResetBondBehavior bond = ResetBond); void initializeBondVectors(); void updateBondVector(); // Mouse press event handlers: QUndoCommand* initRotatePlane(QMouseEvent* e, const Rendering::Identifier& ident); QUndoCommand* initRotateBondedAtom(QMouseEvent* e, const QtGui::RWAtom& clickedAtom); QUndoCommand* initAdjustBondLength(QMouseEvent* e, const QtGui::RWAtom& clickedAtom); QUndoCommand* initRotateNeighborAtom(QMouseEvent* e, const QtGui::RWAtom& clickedAtom, const QtGui::RWAtom& anchorAtom); // Mouse move event handlers: QUndoCommand* rotatePlane(QMouseEvent* e); QUndoCommand* rotateBondedAtom(QMouseEvent* e); QUndoCommand* adjustBondLength(QMouseEvent* e); QUndoCommand* rotateNeighborAtom(QMouseEvent* e); // Drawing helpers: void drawBondQuad(Rendering::GeometryNode& node, const QtGui::RWBond& bond) const; void drawBondAngle(Rendering::GeometryNode& node, const QtGui::RWBond& selectedBond, const QtGui::RWBond& movingBond) const; void drawBondLengthLabel(Rendering::GeometryNode& node, const QtGui::RWBond& bond); void drawAtomBondAngles(Rendering::GeometryNode& node, const QtGui::RWAtom& atom, const QtGui::RWBond& anchorBond); void drawAtomBondAngle(Rendering::GeometryNode& node, const QtGui::RWAtom& atom, const QtGui::RWBond& anchorBond, const QtGui::RWBond& otherBond, const Vector3ub& color); // Bond utilities bool bondContainsAtom(const QtGui::RWBond& bond, const QtGui::RWAtom& atom) const; // The 'fragment' is the SkeletonTree of the 1.x implementation. It is a list // of atoms created by buildFragment(bond, startAtom), which walks the bonds // connected to startAtom (not including the passed-in bond), adding each // atom it encounters to the list, and then walking that atom's bonds. If a // cycle is detected, only startAtom is added to m_fragment. void resetFragment() { m_fragment.clear(); } bool fragmentHasAtom(int uid) const; void buildFragment(const QtGui::RWBond& bond, const QtGui::RWAtom& startAtom); bool buildFragmentRecurse(const QtGui::RWBond& bond, const QtGui::RWAtom& startAtom, const QtGui::RWAtom& currentAtom); // Use transformFragment to transform the position of each atom in the // fragment by m_transform. void transformFragment() const; QAction* m_activateAction; QtGui::RWMolecule* m_molecule; Rendering::GLRenderer* m_renderer; MoveState m_moveState; QPoint m_clickedPoint; QPoint m_lastDragPoint; Vector3f m_bondVector; Vector3f m_planeNormalMouse; Vector3f m_planeNormal; // unique ids of atoms that will need to be moved: std::vector m_fragment; Eigen::Affine3f m_transform; // Snap angles for RotatePlane. Angles are relative to m_planeSnapRef and // follow a right-hand rule around m_bondVector. Range is [-180, 180). std::set m_planeSnapAngles; float m_planeSnapIncr; Vector3f m_planeSnapRef; bool m_snapPlaneToBonds; void updatePlaneSnapAngles(); void updateSnappedPlaneNormal(); QtGui::RWMolecule::PersistentBondType m_selectedBond; QtGui::RWMolecule::PersistentAtomType m_anchorAtom; QtGui::RWMolecule::PersistentAtomType m_clickedAtom; }; inline QString BondCentricTool::name() const { return tr("Bond centric manipulation tool."); } inline QString BondCentricTool::description() const { return tr("Tool used to edit molecular geometry by changing bond lengths and " "angles."); } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_BONDCENTRICTOOL_H avogadrolibs-1.100.0/avogadro/qtplugins/bondcentrictool/bondcentrictool.qrc000066400000000000000000000002231474375334400272570ustar00rootroot00000000000000 bondcentric_light.svg bondcentric_dark.svg avogadrolibs-1.100.0/avogadro/qtplugins/bonding/000077500000000000000000000000001474375334400216135ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/bonding/CMakeLists.txt000066400000000000000000000002071474375334400243520ustar00rootroot00000000000000avogadro_plugin(Bonding "Perform bonding operations." ExtensionPlugin bonding.h Bonding "bonding.cpp" "bondingdialog.ui" ) avogadrolibs-1.100.0/avogadro/qtplugins/bonding/bonding.cpp000066400000000000000000000157251474375334400237510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "bonding.h" #include #include #include #include #include #include #include "ui_bondingdialog.h" namespace Avogadro::QtPlugins { using Core::Array; using Core::Elements; using NeighborListType = Avogadro::Core::Array; Bonding::Bonding(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_action(new QAction(tr("Bond Atoms"), this)), m_orderAction(new QAction(tr("Perceive Bond Orders"), this)), m_clearAction(new QAction(tr("Remove Bonds"), this)), m_configAction(new QAction(tr("Configure Bonding…"), this)), m_createBondsAction(new QAction(tr("Bond Selected Atoms"), this)), m_dialog(nullptr), m_ui(nullptr) { QSettings settings; m_tolerance = settings.value("bonding/tolerance", 0.45).toDouble(); m_minDistance = settings.value("bonding/minDistance", 0.32).toDouble(); m_action->setShortcut(QKeySequence("Ctrl+B")); m_action->setProperty("menu priority", 750); m_createBondsAction->setProperty("menu priority", 740); m_orderAction->setProperty("menu priority", 735); m_clearAction->setShortcut(QKeySequence("Ctrl+Shift+B")); m_clearAction->setProperty("menu priority", 720); connect(m_action, SIGNAL(triggered()), SLOT(bond())); connect(m_createBondsAction, SIGNAL(triggered()), SLOT(createBond())); connect(m_orderAction, SIGNAL(triggered()), SLOT(bondOrders())); connect(m_clearAction, SIGNAL(triggered()), SLOT(clearBonds())); connect(m_configAction, SIGNAL(triggered()), SLOT(configure())); } QList Bonding::actions() const { QList result; return result << m_action << m_createBondsAction << m_orderAction << m_clearAction << m_configAction; } QStringList Bonding::menuPath(QAction*) const { return QStringList() << tr("&Build") << tr("Bond"); } void Bonding::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void Bonding::registerCommands() { emit registerCommand("removeBonds", tr("Remove bonds from all or selected atoms.")); emit registerCommand("createBonds", tr("Create bonds between all or selected atoms.")); emit registerCommand("addBondOrders", tr("Perceive bond orders.")); } bool Bonding::handleCommand(const QString& command, const QVariantMap& options) { if (m_molecule == nullptr) return false; // No molecule to handle the command. if (command == "removeBonds") { clearBonds(); return true; } else if (command == "createBonds") { bond(); return true; } else if (command == "addBondOrders") { bondOrders(); return true; } return false; } void Bonding::configure() { if (!m_ui) { m_dialog = new QDialog(qobject_cast(parent())); m_ui = new Ui::BondingDialog; m_ui->setupUi(m_dialog); m_ui->toleranceSpinBox->setValue(m_tolerance); m_ui->minimumSpinBox->setValue(m_minDistance); connect(m_ui->buttonBox, SIGNAL(accepted()), this, SLOT(setValues())); connect(m_ui->buttonBox, SIGNAL(rejected()), m_dialog, SLOT(close())); } m_dialog->show(); m_dialog->activateWindow(); } void Bonding::setValues() { if (m_dialog == nullptr || m_ui == nullptr) return; m_dialog->close(); m_tolerance = m_ui->toleranceSpinBox->value(); m_minDistance = m_ui->minimumSpinBox->value(); QSettings settings; settings.setValue("bonding/tolerance", m_tolerance); settings.setValue("bonding/minDistance", m_minDistance); } void Bonding::createBond() { // Create bond between selected atoms no matter the distance if (!m_molecule) return; if (m_molecule->isSelectionEmpty()) return; for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (!m_molecule->atomSelected(i)) continue; for (Index j = i + 1; j < m_molecule->atomCount(); ++j) { if (!m_molecule->atomSelected(j)) continue; m_molecule->addBond(i, j, 1); } } m_molecule->emitChanged(QtGui::Molecule::Bonds); } void Bonding::bond() { // Yes, this is largely reproduced from Core::Molecule::perceiveBondsSimple // .. but that class doesn't know about selections if (!m_molecule) return; // Check for 3D coordinates, can't do bond perception without this. if (m_molecule->atomPositions3d().size() != m_molecule->atomCount()) return; // cache atomic radii std::vector radii(m_molecule->atomCount()); for (size_t i = 0; i < radii.size(); i++) { radii[i] = Elements::radiusCovalent(m_molecule->atomicNumbers()[i]); if (radii[i] <= 0.0) radii[i] = 0.0; } bool emptySelection = m_molecule->isSelectionEmpty(); double minSq = m_minDistance * m_minDistance; // Main bond perception loop based on a simple distance metric. for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (!emptySelection && !m_molecule->atomSelected(i)) continue; Vector3 ipos = m_molecule->atomPositions3d()[i]; for (Index j = i + 1; j < m_molecule->atomCount(); ++j) { if (!emptySelection && !m_molecule->atomSelected(j)) continue; double cutoff = radii[i] + radii[j] + m_tolerance; Vector3 jpos = m_molecule->atomPositions3d()[j]; Vector3 diff = jpos - ipos; if (std::fabs(diff[0]) > cutoff || std::fabs(diff[1]) > cutoff || std::fabs(diff[2]) > cutoff || (m_molecule->atomicNumbers()[i] == 1 && m_molecule->atomicNumbers()[j] == 1)) { continue; } // check radius and add bond if needed double cutoffSq = cutoff * cutoff; double diffsq = diff.squaredNorm(); if (diffsq < cutoffSq && diffsq > minSq) m_molecule->addBond(m_molecule->atom(i), m_molecule->atom(j), 1); } } m_molecule->emitChanged(QtGui::Molecule::Bonds); } void Bonding::bondOrders() { m_molecule->perceiveBondOrders(); m_molecule->emitChanged(QtGui::Molecule::Bonds); } void Bonding::clearBonds() { // remove any bonds connected to the selected atoms // Array bonds(Index a); if (m_molecule->isSelectionEmpty()) m_molecule->clearBonds(); else { std::vector bondIndices; for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (!m_molecule->atomSelected(i)) continue; // OK, the atom is selected, get the bonds to delete const NeighborListType bonds = m_molecule->bonds(i); for (auto bond : bonds) { bondIndices.push_back(bond.index()); } } // end looping through atoms // now delete the bonds for (auto it = bondIndices.rbegin(), itEnd = bondIndices.rend(); it != itEnd; ++it) { m_molecule->removeBond(*it); } } // end else(selected atoms) m_molecule->emitChanged(QtGui::Molecule::Bonds); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/bonding/bonding.h000066400000000000000000000032741474375334400234120ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_BONDING_H #define AVOGADRO_QTPLUGINS_BONDING_H #include #include #include namespace Ui { class BondingDialog; } namespace Avogadro::QtPlugins { /** * @brief The Bonding class performs bonding operations on demand. */ class Bonding : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit Bonding(QObject* parent_ = nullptr); ~Bonding() override = default; QString name() const override { return tr("Bonding"); } QString description() const override { return tr("Perform bonding operations."); } QList actions() const override; QStringList menuPath(QAction* action) const override; bool handleCommand(const QString& command, const QVariantMap& options) override; void registerCommands() override; public slots: void setMolecule(QtGui::Molecule* mol) override; private slots: void bond(); void createBond(); void bondOrders(); void clearBonds(); void configure(); void setValues(); private: QtGui::Molecule* m_molecule; double m_tolerance; double m_minDistance; QAction* m_action; QAction* m_orderAction; QAction* m_clearAction; QAction* m_configAction; QAction* m_createBondsAction; QDialog* m_dialog; Ui::BondingDialog* m_ui; }; } // namespace Avogadro::QtPlugins #endif // AVOGADRO_QTPLUGINS_BONDING_H avogadrolibs-1.100.0/avogadro/qtplugins/bonding/bondingdialog.ui000066400000000000000000000040701474375334400247530ustar00rootroot00000000000000 BondingDialog 0 0 305 122 Form Distance Tolerance: Minimum Distance: QDialogButtonBox::Cancel|QDialogButtonBox::Ok Å 3 2.000000000000000 0.050000000000000 0.450000000000000 Å 3 1.000000000000000 0.100000000000000 0.100000000000000 avogadrolibs-1.100.0/avogadro/qtplugins/cartoons/000077500000000000000000000000001474375334400220235ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/cartoons/CMakeLists.txt000066400000000000000000000002721474375334400245640ustar00rootroot00000000000000avogadro_plugin(Cartoons "Cartoon family rendering scheme" ScenePlugin cartoons.h Cartoons cartoons.cpp "") target_link_libraries(Cartoons LINK_PRIVATE Avogadro::Rendering) avogadrolibs-1.100.0/avogadro/qtplugins/cartoons/cartoons.cpp000066400000000000000000000371601474375334400243660ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "cartoons.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using Core::Atom; using Core::AtomicNumber; using Core::Residue; using QtGui::Molecule; using QtGui::PluginLayerManager; using Rendering::BezierGeometry; using Rendering::BSplineGeometry; using Rendering::Cartoon; using Rendering::CylinderGeometry; using Rendering::GeometryNode; using Rendering::SphereGeometry; using std::list; using std::map; using std::reference_wrapper; using std::vector; struct LayerCartoon : Core::LayerData { QWidget* widget; bool showBackbone; bool showTrace; bool showTube; bool showRibbon; bool showSimpleCartoon; bool showCartoon; bool showRope; using JumpTable = void (Cartoons::*)(bool); JumpTable jumpTable[7]; std::string serialize() final { return boolToString(showBackbone) + " " + boolToString(showTrace) + " " + boolToString(showTube) + " " + boolToString(showRibbon) + " " + boolToString(showSimpleCartoon) + " " + boolToString(showCartoon) + " " + boolToString(showRope); } void deserialize(std::string text) final { std::stringstream ss(text); std::string aux; ss >> aux; showBackbone = stringToBool(aux); ss >> aux; showTrace = stringToBool(aux); ss >> aux; showTube = stringToBool(aux); ss >> aux; showRibbon = stringToBool(aux); ss >> aux; showSimpleCartoon = stringToBool(aux); ss >> aux; showCartoon = stringToBool(aux); ss >> aux; showRope = stringToBool(aux); } void setupWidget(Cartoons* slot) { if (!widget) { widget = new QWidget(qobject_cast(slot->parent())); auto* v = new QVBoxLayout; QStringList boxesText; boxesText << QObject::tr("Backbone", "protein rendering style") << QObject::tr("Trace", "protein rendering style") << QObject::tr("Tube", "protein rendering style") << QObject::tr("Ribbon", "protein rendering style") << QObject::tr("Simple Cartoon", "protein rendering style") << QObject::tr("Cartoon", "protein rendering style") << QObject::tr("Rope", "protein rendering style"); vector> boxesBools = { showBackbone, showTrace, showTube, showRibbon, showSimpleCartoon, showCartoon, showRope }; jumpTable[0] = &Cartoons::showBackbone; jumpTable[1] = &Cartoons::showTrace; jumpTable[2] = &Cartoons::showTube; jumpTable[3] = &Cartoons::showRibbon; jumpTable[4] = &Cartoons::showSimpleCartoon; jumpTable[5] = &Cartoons::showCartoon; jumpTable[6] = &Cartoons::showRope; for (int i = 0; i < boxesText.size(); ++i) { auto* check = new QCheckBox(boxesText[i]); check->setChecked(boxesBools[i]); QObject::connect(check, &QCheckBox::clicked, slot, jumpTable[i]); v->addWidget(check); } // make sure there's empty space at the bottom,s otherwise the v->addStretch(1); widget->setLayout(v); } } LayerCartoon() : widget(nullptr) { QSettings settings; showBackbone = settings.value("cartoon/backbone", false).toBool(); showCartoon = settings.value("cartoon/cartoon", true).toBool(); showTrace = settings.value("cartoon/trace", false).toBool(); showTube = settings.value("cartoon/tube", false).toBool(); showRibbon = settings.value("cartoon/ribbon", false).toBool(); showRope = settings.value("cartoon/rope", false).toBool(); showSimpleCartoon = settings.value("cartoon/simplecartoon", false).toBool(); } LayerCartoon(std::string settings) { widget = nullptr; deserialize(settings); } ~LayerCartoon() override { if (widget) widget->deleteLater(); } LayerData* clone() final { return new LayerCartoon(serialize()); } }; struct BackboneResidue { BackboneResidue() = default; BackboneResidue(const Vector3f p, const Vector3ub& c1, const Vector3ub& c2, const size_t& g, size_t id, bool sel, Residue::SecondaryStructure sec) : pos(p), color1(c1), color2(c2), group(g), residueID(id), selected(sel), secondaryStructure(sec) { } Vector3f pos; Vector3ub color1; Vector3ub color2; size_t group; size_t residueID; bool selected; Residue::SecondaryStructure secondaryStructure; }; using AtomsPairList = list; Cartoons::Cartoons(QObject* parent) : ScenePlugin(parent), m_group(nullptr) { m_layerManager = PluginLayerManager(m_name); } void addBackBone(map& result, map& previousCA, const Atom& caAtom, const Vector3ub& color, Index group, Residue::SecondaryStructure sec) { Vector3ub color1; if (result.find(group) == result.end()) { result[group] = AtomsPairList(); color1 = Vector3ub(0, 0, 0); } else { color1 = previousCA[group].color2; } Vector3f ca = caAtom.position3d().cast(); BackboneResidue backBone = BackboneResidue( ca, color1, color, group, caAtom.index(), caAtom.selected(), sec); // the 1º insertion will always be incompleated, so fix it if (result[group].size() == 1) { result[group].front().color1 = color1; } previousCA[group] = backBone; result[group].push_back(backBone); } map Cartoons::getBackboneByResidues( const Molecule& molecule, size_t layer) { const auto& graph = molecule.graph(); map result; map previousAtom; for (const auto& residue : molecule.residues()) { if (!residue.isHeterogen()) { Atom caAtom = residue.getAtomByName("CA"); Atom oAtom = residue.getAtomByName("O"); if (caAtom.isValid() && oAtom.isValid() && m_layerManager.atomEnabled(layer, caAtom.index()) && m_layerManager.atomEnabled(layer, oAtom.index())) { // get the group ID and check if it's initialized in the map size_t group = graph.getConnectedID(caAtom.index()); addBackBone(result, previousAtom, caAtom, residue.color(), group, residue.secondaryStructure()); } else { // maybe DNA Atom c3Atom = residue.getAtomByName("C3'"); Atom o3Atom = residue.getAtomByName("O3'"); if (c3Atom.isValid() && o3Atom.isValid() && m_layerManager.atomEnabled(layer, c3Atom.index()) && m_layerManager.atomEnabled(layer, o3Atom.index())) { size_t group = graph.getConnectedID(c3Atom.index()); addBackBone(result, previousAtom, c3Atom, residue.color(), group, residue.secondaryStructure()); } } } } return result; } map Cartoons::getBackboneManually( const Molecule& molecule, size_t layer) { // manual filter const auto& graph = molecule.graph(); map result; map previousCA; for (size_t i = 0; i < molecule.atomCount(); ++i) { const auto atom = molecule.atom(i); if (atom.atomicNumber() == AtomicNumber::Carbon && m_layerManager.atomEnabled(layer, atom.index())) { size_t group = graph.getConnectedID(atom.index()); addBackBone(result, previousCA, atom, atom.color(), group, Residue::SecondaryStructure::undefined); } } return result; } void renderBackbone(const AtomsPairList& backbone, const Molecule& molecule, Rendering::GroupNode& node, float radius) { auto* geometry = new GeometryNode; node.addChild(geometry); auto* spheres = new SphereGeometry; spheres->identifier().molecule = reinterpret_cast(&molecule); spheres->identifier().type = Rendering::AtomType; geometry->addDrawable(spheres); auto* cylinders = new CylinderGeometry; cylinders->identifier().molecule = &molecule; cylinders->identifier().type = Rendering::AtomType; geometry->addDrawable(cylinders); Index i = 0; for (auto it = backbone.begin(); it != backbone.end(); ++it) { const auto& bone = *it; auto color1 = bone.color1; auto color2 = bone.color2; if (bone.selected) { color1 += Vector3ub(155, 0, 0); color2 += Vector3ub(155, 0, 0); } const Vector3f& pos = bone.pos; spheres->addSphere(pos, color1, radius, bone.residueID); if (std::next(it) != backbone.end()) { const auto& nextBone = *std::next(it); const Vector3f& pos2 = nextBone.pos; cylinders->addCylinder(pos, pos2, radius, color1, color2, bone.residueID); } ++i; } } void renderRope(const AtomsPairList& backbone, const Molecule& molecule, Rendering::GroupNode& node, float radius) { auto* geometry = new GeometryNode; node.addChild(geometry); auto* bezier = new BezierGeometry; bezier->identifier().molecule = &molecule; bezier->identifier().type = Rendering::AtomType; geometry->addDrawable(bezier); Vector3ub color = Vector3ub::Zero(); for (const auto& bone : backbone) { bezier->addPoint(bone.pos, bone.color1 + color, radius, bone.group, bone.residueID); color = bone.selected ? Vector3ub(155, 0, 0) : Vector3ub::Zero(); } } void renderTube(const AtomsPairList& backbone, const Molecule& molecule, Rendering::GroupNode& node, float radius) { auto* geometry = new GeometryNode; node.addChild(geometry); auto* bezier = new BSplineGeometry; bezier->identifier().molecule = &molecule; bezier->identifier().type = Rendering::AtomType; geometry->addDrawable(bezier); Vector3ub color = Vector3ub::Zero(); for (const auto& bone : backbone) { bezier->addPoint(bone.pos, bone.color1 + color, radius, bone.group, bone.residueID); color = bone.selected ? Vector3ub(155, 0, 0) : Vector3ub::Zero(); } } void renderSimpleCartoon(const AtomsPairList& backbone, const Molecule& molecule, Rendering::GroupNode& node, float radius) { auto* geometry = new GeometryNode; node.addChild(geometry); auto* cartoon = new Cartoon; cartoon->identifier().molecule = &molecule; cartoon->identifier().type = Rendering::AtomType; geometry->addDrawable(cartoon); Vector3ub color = Vector3ub::Zero(); for (const auto& bone : backbone) { cartoon->CurveGeometry::addPoint(bone.pos, bone.color1 + color, radius, bone.group, bone.residueID); color = bone.selected ? Vector3ub(155, 0, 0) : Vector3ub::Zero(); } } void renderCartoon(const AtomsPairList& backbone, const Molecule& molecule, Rendering::GroupNode& node, float radius) { auto* geometry = new GeometryNode; node.addChild(geometry); auto* cartoon = new Cartoon(radius * 0.2f, radius * 1.5f); cartoon->identifier().molecule = &molecule; cartoon->identifier().type = Rendering::AtomType; geometry->addDrawable(cartoon); Vector3ub color = Vector3ub::Zero(); for (const auto& bone : backbone) { cartoon->addPoint(bone.pos, bone.color1 + color, bone.group, bone.residueID, bone.secondaryStructure); color = bone.selected ? Vector3ub(155, 0, 0) : Vector3ub::Zero(); } } void Cartoons::process(const Molecule& molecule, Rendering::GroupNode& node) { m_layerManager.load(); m_group = &node; for (size_t layer = 0; layer < m_layerManager.layerCount(); ++layer) { auto* interface = m_layerManager.getSetting(layer); if (interface->showBackbone || interface->showTrace || interface->showTube || interface->showRibbon || interface->showSimpleCartoon || interface->showCartoon || interface->showRope) { map backbones; if (molecule.residues().size() > 0) { backbones = getBackboneByResidues(molecule, layer); } if (backbones.size() == 0) { continue; // maybe something in a different layer } size_t i = 0; for (const auto& group : backbones) { const auto& backbone = group.second; if (interface->showBackbone) { renderBackbone(backbone, molecule, node, 0.1f); } if (interface->showTrace) { renderTube(backbone, molecule, node, -0.15f); } if (interface->showTube) { renderTube(backbone, molecule, node, 0.15f); } if (interface->showRibbon) { renderCartoon(backbone, molecule, node, -1.0f * Cartoon::ELIPSE_RATIO); } if (interface->showSimpleCartoon) { renderSimpleCartoon(backbone, molecule, node, 1.0f); } if (interface->showCartoon) { renderCartoon(backbone, molecule, node, 1.0f); } if (interface->showRope) { renderRope(backbone, molecule, node, 1.0f); } ++i; } } } } QWidget* Cartoons::setupWidget() { auto* interface = m_layerManager.getSetting(); interface->setupWidget(this); return interface->widget; } void Cartoons::showBackbone(bool show) { auto* interface = m_layerManager.getSetting(); if (show != interface->showBackbone) { interface->showBackbone = show; emit drawablesChanged(); } QSettings settings; settings.setValue("cartoon/backbone", show); } void Cartoons::showTrace(bool show) { auto* interface = m_layerManager.getSetting(); if (show != interface->showTrace) { interface->showTrace = show; emit drawablesChanged(); } QSettings settings; settings.setValue("cartoon/trace", show); } void Cartoons::showTube(bool show) { auto* interface = m_layerManager.getSetting(); if (show != interface->showTube) { interface->showTube = show; emit drawablesChanged(); } QSettings settings; settings.setValue("cartoon/tube", show); } void Cartoons::showRibbon(bool show) { auto* interface = m_layerManager.getSetting(); if (show != interface->showRibbon) { interface->showRibbon = show; emit drawablesChanged(); } QSettings settings; settings.setValue("cartoon/ribbon", show); } void Cartoons::showSimpleCartoon(bool show) { auto* interface = m_layerManager.getSetting(); if (show != interface->showSimpleCartoon) { interface->showSimpleCartoon = show; emit drawablesChanged(); } QSettings settings; settings.setValue("cartoon/simpleCartoon", show); } void Cartoons::showCartoon(bool show) { auto* interface = m_layerManager.getSetting(); if (show != interface->showCartoon) { interface->showCartoon = show; emit drawablesChanged(); } QSettings settings; settings.setValue("cartoon/cartoon", show); } void Cartoons::showRope(bool show) { auto* interface = m_layerManager.getSetting(); if (show != interface->showRope) { interface->showRope = show; emit drawablesChanged(); } QSettings settings; settings.setValue("cartoon/rope", show); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/cartoons/cartoons.h000066400000000000000000000041741474375334400240320ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_CARTOONS_H #define AVOGADRO_QTPLUGINS_CARTOONS_H #include #include #include namespace Avogadro::QtPlugins { struct BackboneResidue; using AtomsPairList = std::list; class Cartoons : public QtGui::ScenePlugin { Q_OBJECT public: explicit Cartoons(QObject* parent = 0); ~Cartoons() override = default; void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; QString name() const override { return tr("Cartoons", "protein ribbon / cartoon rendering"); } QString description() const override { return tr("Display of biomolecule ribbons / cartoons."); } QWidget* setupWidget() override; bool hasSetupWidget() const override { return true; } DefaultBehavior defaultBehavior() const override { return DefaultBehavior::True; } public slots: // straights line between alpha carbons void showBackbone(bool show); // A flat line is displayed along the main backbone trace. void showTrace(bool show); // same as trace but with a circle volume (like a pipeline) void showTube(bool show); // same as trace but a flat plane void showRibbon(bool show); // the classic void showSimpleCartoon(bool show); // the classic + sheets and helix void showCartoon(bool show); // same as tube but instead of creating a b-spline (cuadratic bezier, segments // of 3) we crea a big N-bezier line void showRope(bool show); private: Rendering::GroupNode* m_group; std::string m_name = "Cartoons"; std::map getBackboneByResidues( const QtGui::Molecule& molecule, size_t layer); std::map getBackboneManually( const QtGui::Molecule& molecule, size_t layer); }; } // namespace Avogadro::QtPlugins #endif // AVOGADRO_QTPLUGINS_CARTOONS_H avogadrolibs-1.100.0/avogadro/qtplugins/centroid/000077500000000000000000000000001474375334400220025ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/centroid/CMakeLists.txt000066400000000000000000000002001474375334400245320ustar00rootroot00000000000000avogadro_plugin(Centroid "Add centroid and center-of-mass." ExtensionPlugin centroid.h Centroid "centroid.cpp" "" ) avogadrolibs-1.100.0/avogadro/qtplugins/centroid/centroid.cpp000066400000000000000000000072041474375334400243200ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "centroid.h" #include #include #include #include namespace Avogadro::QtPlugins { using Core::Array; using Core::Elements; Centroid::Centroid(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_centroidAction(new QAction(tr("Add Centroid"), this)), m_comAction(new QAction(tr("Add Center of Mass"), this)), m_normalAction( new QAction(tr("Add Perpendicular", "add a point normal to the plane of the molecule"), this)) { m_centroidAction->setProperty("menu priority", 190); m_comAction->setProperty("menu priority", 180); m_normalAction->setProperty("menu priority", 170); connect(m_centroidAction, SIGNAL(triggered()), SLOT(addCentroid())); connect(m_comAction, SIGNAL(triggered()), SLOT(addCenterOfMass())); connect(m_normalAction, SIGNAL(triggered()), SLOT(normal())); } QList Centroid::actions() const { QList result; return result << m_centroidAction << m_comAction << m_normalAction; } QStringList Centroid::menuPath(QAction*) const { return QStringList() << tr("&Build"); } void Centroid::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void Centroid::addCentroid() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; Vector3 center; Index count = 0; bool hasSelection = !m_molecule->isSelectionEmpty(); for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (hasSelection && !m_molecule->atomSelected(i)) continue; // don't count dummy atoms if (m_molecule->atomicNumber(i) == 0) continue; center += m_molecule->atomPosition3d(i); ++count; } center /= count; m_molecule->undoMolecule()->addAtom(0, center); m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Added); } void Centroid::addCenterOfMass() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; Vector3 center; Real totalMass = 0.0; Index count = 0; bool hasSelection = !m_molecule->isSelectionEmpty(); // we have to first find the centroid for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (hasSelection && !m_molecule->atomSelected(i)) continue; // skip it if it's a dummy atom if (m_molecule->atomicNumber(i) == 0) continue; Real mass = Elements::mass(m_molecule->atomicNumber(i)); center += m_molecule->atomPosition3d(i) * mass; totalMass += mass; ++count; } center /= totalMass; m_molecule->undoMolecule()->addAtom(0, center); m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Added); } void Centroid::normal() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; if (m_molecule->isSelectionEmpty()) { auto pair = m_molecule->bestFitPlane(); m_molecule->addAtom(0.0, pair.second * 2.0); } else { Array selectedAtoms; for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (!m_molecule->atomSelected(i)) continue; selectedAtoms.push_back(m_molecule->atomPosition3d(i)); } auto pair = m_molecule->bestFitPlane(selectedAtoms); Vector3 newPos = pair.second * 2.0 + pair.first; m_molecule->addAtom(0, newPos); } m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Added); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/centroid/centroid.h000066400000000000000000000024501474375334400237630ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_CENTROID_H #define AVOGADRO_QTPLUGINS_CENTROID_H #include #include namespace Avogadro::QtPlugins { /** * @brief The Centroid class adds centroids and center-of-mass */ class Centroid : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit Centroid(QObject* parent_ = nullptr); ~Centroid() override = default; QString name() const override { return tr("Centroid"); } QString description() const override { return tr("Add centroids and center-of-mass."); } QList actions() const override; QStringList menuPath(QAction* action) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; private slots: void addCentroid(); void addCenterOfMass(); void normal(); private: QtGui::Molecule* m_molecule; QAction* m_centroidAction; QAction* m_comAction; QAction* m_normalAction; }; } // namespace Avogadro::QtPlugins #endif // AVOGADRO_QTPLUGINS_BONDING_H avogadrolibs-1.100.0/avogadro/qtplugins/closecontacts/000077500000000000000000000000001474375334400230375ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/closecontacts/CMakeLists.txt000066400000000000000000000003211474375334400255730ustar00rootroot00000000000000avogadro_plugin(CloseContacts "Predictive close-contact rendering" ScenePlugin closecontacts.h CloseContacts closecontacts.cpp "") target_link_libraries(CloseContacts PRIVATE Avogadro::Rendering) avogadrolibs-1.100.0/avogadro/qtplugins/closecontacts/closecontacts.cpp000066400000000000000000000225701474375334400264150ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "closecontacts.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using Core::Array; using Core::Atom; using Core::Bond; using Core::NeighborPerceiver; using QtGui::Molecule; using QtGui::PluginLayerManager; using Rendering::DashedLineGeometry; using Rendering::GeometryNode; CloseContacts::CloseContacts(QObject *p) : ScenePlugin(p) { m_layerManager = PluginLayerManager(m_name); QSettings settings; m_maximumDistances = { settings.value("closeContacts/maximumDistance0", 2.0).toDouble(), settings.value("closeContacts/maximumDistance1", 4.0).toDouble(), settings.value("closeContacts/maximumDistance2", 4.0).toDouble() }; auto contactColor = settings.value("closeContacts/lineColor0", QColor(128, 128, 128)).value(); auto saltBColor = settings.value("closeContacts/lineColor1", QColor(192, 0, 255)).value(); auto repulsiveColor = settings.value("closeContacts/lineColor2", QColor(255, 64, 64)).value(); m_lineColors = { Vector3ub(contactColor.red(), contactColor.green(), contactColor.blue()), Vector3ub(saltBColor.red(), saltBColor.green(), saltBColor.blue()), Vector3ub(repulsiveColor.red(), repulsiveColor.green(), repulsiveColor.blue()) }; m_lineWidths = { settings.value("closeContacts/lineWidth0", 2.0).toFloat(), settings.value("closeContacts/lineWidth1", 5.0).toFloat(), settings.value("closeContacts/lineWidth2", 5.0).toFloat() }; } static bool checkPairNot1213(const Molecule &molecule, Index i, Index n) { static Array bondedCache; static Index lastIndex; static bool lastIndexValid = false; if (!lastIndexValid || lastIndex != i) { bondedCache.clear(); for (const Bond *b : molecule.bonds(i)) bondedCache.push_back(b->atom1().index() == i ? b->atom2().index() : b->atom1().index()); lastIndex = i; lastIndexValid = true; } for (const Bond *b : molecule.bonds(n)) { Index m = (b->atom1().index() == n ? b->atom2() : b->atom1()).index(); if (m == i) // exclude 1-2 pairs return false; for (Index bn: bondedCache) if (bn == m) // exclude 1-3 pairs return false; } return true; } void addChargedAtom( Array &positions, Array &charges, Array &residues, const Molecule &molecule, Index residueId, Atom atom, double charge ) { auto pos = molecule.atomPosition3d(atom.index()); if (molecule.formalCharge(atom.index()) != 0) { for (Index i = 0; i < positions.size(); i++) { if ((positions[i] - pos).norm() < 0.00001) { residues[i] = residueId; return; } } } positions.push_back(pos); charges.push_back(charge); residues.push_back(residueId); } void CloseContacts::process(const Molecule &molecule, Rendering::GroupNode &node) { //Add general contacts NeighborPerceiver perceiver(molecule.atomPositions3d(), m_maximumDistances[0]); std::vector isAtomEnabled(molecule.atomCount()); for (Index i = 0; i < molecule.atomCount(); ++i) isAtomEnabled[i] = m_layerManager.atomEnabled(i); auto *geometry = new GeometryNode; node.addChild(geometry); std::array lineGroups; for (Index type = 0; type < 3; type++) { lineGroups[type] = new DashedLineGeometry; lineGroups[type]->identifier().molecule = &molecule; lineGroups[type]->identifier().type = Rendering::BondType; lineGroups[type]->setLineWidth(m_lineWidths[type]); geometry->addDrawable(lineGroups[type]); } Array neighbors; for (Index i = 0; i < molecule.atomCount(); ++i) { if (!isAtomEnabled[i]) continue; Vector3 pos = molecule.atomPosition3d(i); perceiver.getNeighborsInclusiveInPlace(neighbors, pos); for (Index n : neighbors) { if (n <= i) // check each pair only once continue; if (!isAtomEnabled[n]) continue; if (!checkPairNot1213(molecule, i, n)) continue; Vector3 npos = molecule.atomPosition3d(n); double distance = (npos - pos).norm(); if (distance < m_maximumDistances[0]) lineGroups[0]->addDashedLine(pos.cast(), npos.cast(), m_lineColors[0], 8); } } // Add charged atoms Array positions; Array charges; Array residues; for (Index i = 0; i < molecule.atomCount(); ++i) { if (molecule.formalCharge(i) != 0) { if (!isAtomEnabled[i]) continue; positions.push_back(molecule.atomPosition3d(i)); charges.push_back(molecule.formalCharge(i)); residues.push_back(Index(0) - 1); } } // Add predicted charged atoms from residues for (const auto &r: molecule.residues()) { if (!r.residueName().compare("LYS")) { addChargedAtom(positions, charges, residues, molecule, r.residueId(), r.getAtomByName("NZ"), 1.0); } else if (!r.residueName().compare("ARG")) { addChargedAtom(positions, charges, residues, molecule, r.residueId(), r.getAtomByName("NE"), 1.0); addChargedAtom(positions, charges, residues, molecule, r.residueId(), r.getAtomByName("NH1"), 1.0); addChargedAtom(positions, charges, residues, molecule, r.residueId(), r.getAtomByName("NH2"), 1.0); } else if (!r.residueName().compare("HIS")) { addChargedAtom(positions, charges, residues, molecule, r.residueId(), r.getAtomByName("ND1"), 1.0); } else if (!r.residueName().compare("ASP")) { addChargedAtom(positions, charges, residues, molecule, r.residueId(), r.getAtomByName("OD1"), -1.0); addChargedAtom(positions, charges, residues, molecule, r.residueId(), r.getAtomByName("OD2"), -1.0); } else if (!r.residueName().compare("GLU")) { addChargedAtom(positions, charges, residues, molecule, r.residueId(), r.getAtomByName("OE1"), -1.0); addChargedAtom(positions, charges, residues, molecule, r.residueId(), r.getAtomByName("OE2"), -1.0); } } // detect contacts among them NeighborPerceiver ionPerceiver(positions, std::max(m_maximumDistances[1], m_maximumDistances[2])); for (Index i = 0; i < positions.size(); ++i) { const Vector3 &pos = positions[i]; ionPerceiver.getNeighborsInclusiveInPlace(neighbors, pos); for (Index n: neighbors) { if (n <= i) // check each pair only once continue; if (residues[n] == residues[i] && residues[i] != Index(0) - 1) continue; // ignore intra-residue interactions Vector3 npos = positions[n]; double distance = (npos - pos).norm(); if (charges[i] * charges[n] > 0.0 && distance < m_maximumDistances[2]) lineGroups[2]->addDashedLine(pos.cast(), npos.cast(), m_lineColors[2], 8); else if (distance < m_maximumDistances[1]) lineGroups[1]->addDashedLine(pos.cast(), npos.cast(), m_lineColors[1], 8); } } } QWidget *CloseContacts::setupWidget() { auto *widget = new QWidget(qobject_cast(this->parent())); auto *v = new QVBoxLayout; auto *tabs = new QTabWidget; for (Index i = 0; i < 3; i++) { // maximum distance auto *distance_spin = new QDoubleSpinBox; distance_spin->setRange(1.5, 10.0); distance_spin->setSingleStep(0.1); distance_spin->setDecimals(1); distance_spin->setSuffix(tr(" Å")); distance_spin->setValue(m_maximumDistances[i]); QObject::connect(distance_spin, QOverload::of(&QDoubleSpinBox::valueChanged), this, [this, i](float distance){ return setMaximumDistance(distance, i); } ); // line width auto* lineWidth_spin = new QDoubleSpinBox; lineWidth_spin->setRange(1.0, 10.0); lineWidth_spin->setSingleStep(0.5); lineWidth_spin->setDecimals(1); lineWidth_spin->setValue(m_lineWidths[i]); QObject::connect(lineWidth_spin, QOverload::of(&QDoubleSpinBox::valueChanged), this, [this, i](float width){ return setLineWidth(width, i); } ); auto *form = new QFormLayout; form->addRow(QObject::tr("Maximum distance:"), distance_spin); form->addRow(QObject::tr("Line width:"), lineWidth_spin); auto *page = new QWidget; page->setLayout(form); tabs->addTab(page, INTERACTION_NAMES[i]); } v->addWidget(tabs); v->addStretch(1); widget->setLayout(v); return widget; } void CloseContacts::setMaximumDistance(float maximumDistance, Index index) { m_maximumDistances[index] = maximumDistance; emit drawablesChanged(); QSettings settings; settings.setValue(QString("closeContacts/maximumDistance%1").arg(index), maximumDistance); } void CloseContacts::setLineWidth(float width, Index index) { m_lineWidths[index] = width; emit drawablesChanged(); QSettings settings; settings.setValue(QString("closeContacts/lineWidth%1").arg(index), width); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/closecontacts/closecontacts.h000066400000000000000000000034741474375334400260640ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_CLOSECONTACTS_H #define AVOGADRO_QTPLUGINS_CLOSECONTACTS_H #include #include namespace Avogadro::QtPlugins { /** * @brief Detect and render close contacts between atoms. * @author Aritz Erkiaga */ class CloseContacts : public QtGui::ScenePlugin { Q_OBJECT public: explicit CloseContacts(QObject* parent = nullptr); ~CloseContacts() override = default; void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; QString name() const override { return tr("Close Contacts", "rendering of non-covalent close contacts"); } QString description() const override { return tr("Render close contacts between atoms."); } QWidget* setupWidget() override; bool hasSetupWidget() const override { return true; } DefaultBehavior defaultBehavior() const override { return DefaultBehavior::False; } public slots: void setMaximumDistance(float maximumDistance, Index index); void setLineWidth(float width, Index index); private: std::string m_name = "Close Contacts"; const std::array INTERACTION_NAMES = { tr("Contact"), tr("Salt Bridge"), tr("Repulsive") }; std::array m_maximumDistances; std::array m_lineColors; std::array m_lineWidths; }; } // end namespace Avogadro::QtPlugins #endif // AVOGADRO_QTPLUGINS_CLOSECONTACTS_H avogadrolibs-1.100.0/avogadro/qtplugins/coloropacitymap/000077500000000000000000000000001474375334400234005ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/coloropacitymap/CMakeLists.txt000066400000000000000000000006761474375334400261510ustar00rootroot00000000000000set(_srcs coloropacitymap.cpp histogramwidget.cpp vtkChartHistogram.cpp vtkChartHistogramColorOpacityEditor.cpp vtkCustomPiecewiseControlPointsItem.cpp comdialog.cpp ) set(_uis comdialog.ui ) avogadro_plugin(ColorOpacityMap "Edit the color opacity map." ExtensionPlugin coloropacitymap.h ColorOpacityMap "${_srcs}" "${_uis}" ) target_link_libraries(ColorOpacityMap PRIVATE Avogadro::QtOpenGL Avogadro::Vtk) avogadrolibs-1.100.0/avogadro/qtplugins/coloropacitymap/coloropacitymap.cpp000066400000000000000000000121671474375334400273200ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #include "coloropacitymap.h" #include "comdialog.h" #include "computehistogram.h" #include "histogramwidget.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::QtGui::Molecule; using Avogadro::QtOpenGL::ActiveObjects; namespace Avogadro::QtPlugins { vtkImageData* cubeImageData(Core::Cube* cube) { auto data = vtkImageData::New(); // data->SetNumberOfScalarComponents(1, nullptr); Eigen::Vector3i dim = cube->dimensions(); data->SetExtent(0, dim.x() - 1, 0, dim.y() - 1, 0, dim.z() - 1); // Translate origin, spacing, and types from Avogadro to VTK. data->SetOrigin(cube->min().x(), cube->min().y(), cube->min().z()); data->SetSpacing(cube->spacing().data()); data->AllocateScalars(VTK_FLOAT, 1); auto* dataPtr = static_cast(data->GetScalarPointer()); std::vector* cubePtr = cube->data(); // Reorder our cube for VTK's Fortran ordering in vtkImageData. for (int i = 0; i < dim.x(); ++i) { for (int j = 0; j < dim.y(); ++j) { for (int k = 0; k < dim.z(); ++k) { dataPtr[(k * dim.y() + j) * dim.x() + i] = (*cubePtr)[(i * dim.y() + j) * dim.z() + k]; } } } return data; } ColorOpacityMap::ColorOpacityMap(QObject* p) : Avogadro::QtGui::ExtensionPlugin(p), m_actions(QList()), m_displayDialogAction(new QAction(this)) { m_displayDialogAction->setText(tr("Edit Color Opacity Map…")); connect(m_displayDialogAction.data(), &QAction::triggered, this, &ColorOpacityMap::displayDialog); m_actions.push_back(m_displayDialogAction.data()); m_displayDialogAction->setProperty("menu priority", 70); updateActions(); } ColorOpacityMap::~ColorOpacityMap() = default; QList ColorOpacityMap::actions() const { return m_actions; } QStringList ColorOpacityMap::menuPath(QAction*) const { return QStringList() << tr("&Extensions"); } void ColorOpacityMap::setActiveWidget(QWidget* widget) { auto vtkWidget = qobject_cast(widget); if (vtkWidget) { m_vtkWidget = true; updateActions(); } else { m_vtkWidget = false; updateActions(); } } void ColorOpacityMap::setMolecule(QtGui::Molecule* mol) { if (m_molecule == mol) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; if (m_molecule) connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint))); updateActions(); } void ColorOpacityMap::moleculeChanged(unsigned int c) { Q_ASSERT(m_molecule == qobject_cast(sender())); // I think we need to look at adding cubes to changes, flaky right now. auto changes = static_cast(c); if (changes & Molecule::Added || changes & Molecule::Removed) { updateActions(); if (m_comDialog) updateHistogram(); } } void ColorOpacityMap::updateActions() { foreach (QAction* action, m_actions) action->setEnabled(m_vtkWidget); } void ColorOpacityMap::updateHistogram() { auto widget = ActiveObjects::instance().activeWidget(); auto vtkWidget = qobject_cast(widget); if (vtkWidget == nullptr) m_vtkWidget = false; if (widget && vtkWidget && widget != m_activeWidget) { if (m_activeWidget) disconnect(widget, nullptr, this, nullptr); connect(widget, SIGNAL(imageDataUpdated()), SLOT(updateHistogram())); m_activeWidget = widget; } if (vtkWidget && m_molecule && m_molecule->cubeCount()) { m_vtkWidget = true; vtkNew table; auto imageData = vtkWidget->imageData(); auto lut = vtkWidget->lut(); auto opacity = vtkWidget->opacityFunction(); m_histogramWidget->setLUT(lut); m_histogramWidget->setOpacityFunction(opacity); if (imageData) { PopulateHistogram(imageData, table); m_histogramWidget->setInputData(table, "image_extents", "image_pops"); } } } void ColorOpacityMap::displayDialog() { if (!m_comDialog) { auto p = qobject_cast(parent()); m_comDialog = new ComDialog(p); m_comDialog->setMolecule(m_molecule); m_histogramWidget = m_comDialog->histogramWidget(); // m_c->resize(800, 600); connect(m_histogramWidget, SIGNAL(colorMapUpdated()), SLOT(render())); connect(m_histogramWidget, SIGNAL(opacityChanged()), SLOT(render())); connect(m_comDialog, SIGNAL(renderNeeded()), SLOT(render())); } updateHistogram(); m_comDialog->show(); } void ColorOpacityMap::render() { auto widget = ActiveObjects::instance().activeWidget(); auto vtkWidget = qobject_cast(widget); if (vtkWidget) { vtkWidget->renderWindow()->Render(); vtkWidget->update(); } } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/coloropacitymap/coloropacitymap.h000066400000000000000000000030611474375334400267560ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #ifndef AVOGADRO_QTPLUGINS_COLOROPACITYMAP_H #define AVOGADRO_QTPLUGINS_COLOROPACITYMAP_H #include namespace Avogadro { class HistogramWidget; namespace QtPlugins { class ComDialog; /** * @brief An interactive color opacity map editor with a value population * histogram. */ class ColorOpacityMap : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit ColorOpacityMap(QObject* parent_ = nullptr); ~ColorOpacityMap(); QString name() const override { return tr("ColorOpacityMap"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; void moleculeChanged(unsigned int changes); void setActiveWidget(QWidget* widget) override; private slots: void updateActions(); void updateHistogram(); void displayDialog(); void render(); private: QList m_actions; QtGui::Molecule* m_molecule = nullptr; ComDialog* m_comDialog = nullptr; HistogramWidget* m_histogramWidget = nullptr; QScopedPointer m_displayDialogAction; bool m_vtkWidget = false; QWidget* m_activeWidget = nullptr; }; inline QString ColorOpacityMap::description() const { return tr("Edit color opacity maps, primarily for volume rendering."); } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_COLOROPACITYMAP_H avogadrolibs-1.100.0/avogadro/qtplugins/coloropacitymap/comdialog.cpp000066400000000000000000000044321474375334400260450ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #include "comdialog.h" #include "ui_comdialog.h" #include #include #include #include namespace Avogadro::QtPlugins { using QtOpenGL::ActiveObjects; using VTK::vtkGLWidget; ComDialog::ComDialog(QWidget* p, Qt::WindowFlags f) : QDialog(p, f), m_ui(new Ui::ComDialog) { m_ui->setupUi(this); connect(m_ui->enableVolumeRendering, SIGNAL(stateChanged(int)), SLOT(enableVolume(int))); connect(m_ui->enableIsosurface, SIGNAL(stateChanged(int)), SLOT(enableIsosurface(int))); connect(m_ui->isoValue, SIGNAL(valueChanged(double)), SLOT(setIsoValue(double))); connect(m_ui->opacity, SIGNAL(valueChanged(double)), SLOT(setOpacity(double))); } ComDialog::~ComDialog() { delete m_ui; } HistogramWidget* ComDialog::histogramWidget() { return m_ui->histogramWidget; } void ComDialog::setMolecule(QtGui::Molecule* mol) { if (m_molecule == mol || !mol) return; m_molecule = mol; // Figure out which cubes are available. m_ui->cubesComboBox->clear(); for (Index i = 0; i < mol->cubeCount(); ++i) { m_ui->cubesComboBox->addItem(QString(mol->cube(i)->name().c_str())); } } void ComDialog::enableVolume(int enable) { auto w = ActiveObjects::instance().activeWidget(); auto vtkgl = qobject_cast(w); if (vtkgl) { vtkgl->renderVolume(enable == 0 ? false : true); emit renderNeeded(); } } void ComDialog::enableIsosurface(int enable) { auto w = ActiveObjects::instance().activeWidget(); auto vtkgl = qobject_cast(w); if (vtkgl) { vtkgl->renderIsosurface(enable == 0 ? false : true); emit renderNeeded(); } } void ComDialog::setIsoValue(double value) { auto w = ActiveObjects::instance().activeWidget(); auto vtkgl = qobject_cast(w); if (vtkgl) { vtkgl->setIsoValue(value); emit renderNeeded(); } } void ComDialog::setOpacity(double value) { auto w = ActiveObjects::instance().activeWidget(); auto vtkgl = qobject_cast(w); if (vtkgl) { vtkgl->setOpacity(value); emit renderNeeded(); } } } // namespace Avogadroavogadrolibs-1.100.0/avogadro/qtplugins/coloropacitymap/comdialog.h000066400000000000000000000017261474375334400255150ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #ifndef AVOGADRO_QTPLUGINS_COMDIALOG_H #define AVOGADRO_QTPLUGINS_COMDIALOG_H #include namespace Ui { class ComDialog; } namespace Avogadro { class HistogramWidget; namespace QtGui { class Molecule; } namespace QtPlugins { class ComDialog : public QDialog { Q_OBJECT public: explicit ComDialog(QWidget* parent = nullptr, Qt::WindowFlags f = Qt::WindowFlags()); ~ComDialog() override; HistogramWidget* histogramWidget(); void setMolecule(QtGui::Molecule* mol); protected slots: void enableVolume(int enable); void enableIsosurface(int enable); void setIsoValue(double value); void setOpacity(double value); signals: void renderNeeded(); private: Ui::ComDialog* m_ui = nullptr; QtGui::Molecule* m_molecule = nullptr; }; } // End namespace QtPlugins } // End namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/qtplugins/coloropacitymap/comdialog.ui000066400000000000000000000102131474375334400256720ustar00rootroot00000000000000 ComDialog 0 0 776 549 Volume Rendering 1 1 Cube Enable volume rendering true Enable surface rendering Isovalue false 3 0.010000000000000 0.050000000000000 Opacity false 1.000000000000000 0.100000000000000 0.500000000000000 Avogadro::HistogramWidget QWidget
histogramwidget.h
1 enableIsosurface toggled(bool) isoValue setEnabled(bool) 472 465 472 493 enableIsosurface toggled(bool) opacity setEnabled(bool) 472 465 472 525 avogadrolibs-1.100.0/avogadro/qtplugins/coloropacitymap/computehistogram.h000066400000000000000000000136701474375334400271520ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #ifndef AVOGADRO_COMPUTE_HISTOGRAM_H #define AVOGADRO_COMPUTE_HISTOGRAM_H #include #include #include #include #include #include #include #include namespace Avogadro { /** Single component integral type specialization. */ template ::value>::type* = nullptr> void calcHistogram(T* values, const vtkIdType numTuples, const float min, const float inv, int* pops, int&) { for (vtkIdType j = 0; j < numTuples; ++j) { ++pops[static_cast((*values++ - min) * inv)]; } } /** Needs to be present, should never be compiled. */ template void calcHistogram(T*, const vtkIdType, int*) { static_assert(!std::is_same::value, "Invalid type"); } /** Single component unsigned char covering 0 -> 255 range. */ void calcHistogram(unsigned char* values, const vtkIdType numTuples, int* pops) { for (vtkIdType j = 0; j < numTuples; ++j) { ++pops[*values++]; } } /** Single component floating point type specialization. */ template ::value>::type* = nullptr> void calcHistogram(T* values, const vtkIdType numTuples, const float min, const float inv, int* pops, int& invalid) { for (vtkIdType j = 0; j < numTuples; ++j) { T value = *(values++); if (std::isfinite(value)) { ++pops[static_cast((value - min) * inv)]; } else { ++invalid; } } } /** * Computes a histogram from an array of values. * \param values The array from which to compute the histogram. * \param numTuples Number of tuples in the array. * \param numComponents Number of components in each tuple. * \param min Minimum value in range * \param max Maximum value in range * \param inv Inverse of bin size, numBins is the number of bins * in the histogram (or length of the pops array), and invalid is a return * parameter indicating how many values in the array had a non-finite value. */ template void CalculateHistogram(T* values, const vtkIdType numTuples, const vtkIdType numComponents, const float min, const float max, int* pops, const float inv, int& invalid) { // Single component is a simpler/faster path, let's dispatch separately. if (numComponents == 1) { // Very fast path for unsigned char in 0 -> 255 range, or fast path. if (std::is_same::value && min == 0.f && max == 255.f) { calcHistogram(values, numTuples, pops); } else { calcHistogram(values, numTuples, min, inv, pops, invalid); } } else { // Multicomponent magnitude for (vtkIdType j = 0; j < numTuples; ++j) { // Check that all components are valid. bool valid = true; double squaredSum = 0.0; for (vtkIdType c = 0; c < numComponents; ++c) { T value = *(values + c); if (!vtkMath::IsFinite(value)) { valid = false; break; } squaredSum += (value * value); } if (valid) { int index = static_cast((sqrt(squaredSum) - min) * inv); ++pops[index]; } else { ++invalid; } values += numComponents; } } } void PopulateHistogram(vtkImageData* input, vtkTable* output) { // The output table will have the twice the number of columns, they will be // the x and y for input column. This is the bin centers, and the population. double minmax[2] = { 0.0, 0.0 }; // This number of bins in the 2D histogram will also be used as the number of // bins in the 2D transfer function for X (scalar value) and Y (gradient mag.) const int numberOfBins = 256; // Keep the array we are working on around even if the user shallow copies // over the input image data by incrementing the reference count here. vtkSmartPointer arrayPtr = input->GetPointData()->GetScalars(); if (!arrayPtr) { return; } // The bin values are the centers, extending +/- half an inc either side arrayPtr->GetFiniteRange(minmax, -1); if (minmax[0] == minmax[1]) { minmax[1] = minmax[0] + 1.0; } double inc = (minmax[1] - minmax[0]) / (numberOfBins - 1); double halfInc = inc / 2.0; vtkSmartPointer extents = vtkFloatArray::SafeDownCast(output->GetColumnByName("image_extents")); if (!extents) { extents = vtkSmartPointer::New(); extents->SetName("image_extents"); } extents->SetNumberOfTuples(numberOfBins); double min = minmax[0] + halfInc; for (int j = 0; j < numberOfBins; ++j) { extents->SetValue(j, min + j * inc); } vtkSmartPointer populations = vtkIntArray::SafeDownCast(output->GetColumnByName("image_pops")); if (!populations) { populations = vtkSmartPointer::New(); populations->SetName("image_pops"); } populations->SetNumberOfTuples(numberOfBins); auto pops = static_cast(populations->GetVoidPointer(0)); for (int k = 0; k < numberOfBins; ++k) { pops[k] = 0; } int invalid = 0; switch (arrayPtr->GetDataType()) { vtkTemplateMacro(CalculateHistogram( reinterpret_cast(arrayPtr->GetVoidPointer(0)), arrayPtr->GetNumberOfTuples(), arrayPtr->GetNumberOfComponents(), minmax[0], minmax[1], pops, 1.0 / inc, invalid)); default: cout << "UpdateFromFile: Unknown data type" << endl; } #ifndef NDEBUG vtkIdType total = invalid; for (int i = 0; i < numberOfBins; ++i) total += pops[i]; assert(total == arrayPtr->GetNumberOfTuples()); #endif if (invalid) { cout << "Warning: NaN or infinite value in dataset" << endl; } output->AddColumn(extents); output->AddColumn(populations); } } // namespace Avogadro #endif // AVOGADRO_COMPUTE_HISTOGRAM_H avogadrolibs-1.100.0/avogadro/qtplugins/coloropacitymap/histogramwidget.cpp000066400000000000000000000105141474375334400273060ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #include "histogramwidget.h" #include #include #include #include #include "vtkChartHistogramColorOpacityEditor.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro { HistogramWidget::HistogramWidget(QWidget* parent) : QWidget(parent), m_qvtk(new VTK::QVTKWidget(this)) { // Set up our little chart. m_histogramView->SetRenderWindow(m_qvtk->renderWindow()); m_histogramView->SetInteractor(m_qvtk->interactor()); m_histogramView->GetScene()->AddItem(m_histogramColorOpacityEditor); // Connect events from the histogram color/opacity editor. m_eventLink->Connect(m_histogramColorOpacityEditor, vtkCommand::CursorChangedEvent, this, SLOT(histogramClicked(vtkObject*))); m_eventLink->Connect(m_histogramColorOpacityEditor, vtkCommand::EndEvent, this, SLOT(onScalarOpacityFunctionChanged())); m_eventLink->Connect(m_histogramColorOpacityEditor, vtkControlPointsItem::CurrentPointEditEvent, this, SLOT(onCurrentPointEditEvent())); auto hLayout = new QHBoxLayout(this); hLayout->addWidget(m_qvtk); setLayout(hLayout); } HistogramWidget::~HistogramWidget() = default; void HistogramWidget::setLUT(vtkColorTransferFunction* lut) { if (m_LUT != lut) { m_LUT = lut; m_histogramColorOpacityEditor->SetColorTransferFunction(lut); emit colorMapUpdated(); } } void HistogramWidget::setOpacityFunction(vtkPiecewiseFunction* opacity) { if (m_opacityFunction) { m_eventLink->Disconnect(m_opacityFunction, vtkCommand::ModifiedEvent, this, SLOT(onScalarOpacityFunctionChanged())); } m_opacityFunction = opacity; m_histogramColorOpacityEditor->SetOpacityFunction(opacity); m_eventLink->Connect(m_opacityFunction, vtkCommand::ModifiedEvent, this, SLOT(onScalarOpacityFunctionChanged())); } vtkColorTransferFunction* HistogramWidget::LUT() { return m_LUT; } vtkPiecewiseFunction* HistogramWidget::opacityFunction() { return m_opacityFunction; } void HistogramWidget::setInputData(vtkTable* table, const char* x, const char* y) { m_inputData = table; m_histogramColorOpacityEditor->SetHistogramInputData(table, x, y); m_histogramColorOpacityEditor->SetOpacityFunction(m_opacityFunction); if (m_LUT && table) { m_histogramColorOpacityEditor->SetScalarVisibility(true); m_histogramColorOpacityEditor->SetColorTransferFunction(m_LUT); m_histogramColorOpacityEditor->SelectColorArray("image_extents"); } m_histogramView->Render(); } void HistogramWidget::onScalarOpacityFunctionChanged() { // Update the histogram m_histogramView->GetRenderWindow()->Render(); emit opacityChanged(); } void HistogramWidget::onCurrentPointEditEvent() { double rgb[3]; if (m_histogramColorOpacityEditor->GetCurrentControlPointColor(rgb)) { QColor color = QColorDialog::getColor(QColor::fromRgbF(rgb[0], rgb[1], rgb[2]), this, "Select Color for Control Point"); if (color.isValid()) { rgb[0] = color.redF(); rgb[1] = color.greenF(); rgb[2] = color.blueF(); m_histogramColorOpacityEditor->SetCurrentControlPointColor(rgb); onScalarOpacityFunctionChanged(); } } } void HistogramWidget::histogramClicked(vtkObject*) {} void HistogramWidget::updateUI() {} void HistogramWidget::renderViews() { // pqView* view = // tomviz::convert(ActiveObjects::instance().activeView()); // if (view) { // view->render(); // } } void HistogramWidget::showEvent(QShowEvent* event) { QWidget::showEvent(event); renderViews(); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/coloropacitymap/histogramwidget.h000066400000000000000000000032011474375334400267460ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #ifndef AVOGADRO_QTPLUGINS_HISTOGRAMWIDGET_H #define AVOGADRO_QTPLUGINS_HISTOGRAMWIDGET_H #include #include #include class vtkChartHistogramColorOpacityEditor; class vtkContextView; class vtkEventQtSlotConnect; class vtkPiecewiseFunction; class vtkObject; class vtkTable; class QToolButton; class vtkColorTransferFunction; namespace Avogadro { namespace VTK { class QVTKWidget; } class HistogramWidget : public QWidget { Q_OBJECT public: explicit HistogramWidget(QWidget* parent_ = nullptr); ~HistogramWidget() override; void setLUT(vtkColorTransferFunction* lut); vtkColorTransferFunction* LUT(); void setOpacityFunction(vtkPiecewiseFunction* opacity); vtkPiecewiseFunction* opacityFunction(); void setInputData(vtkTable* table, const char* x, const char* y); signals: void colorMapUpdated(); void opacityChanged(); public slots: void onScalarOpacityFunctionChanged(); void onCurrentPointEditEvent(); void histogramClicked(vtkObject*); void updateUI(); protected: void showEvent(QShowEvent* event) override; private: void renderViews(); vtkNew m_histogramColorOpacityEditor; vtkNew m_histogramView; vtkNew m_eventLink; vtkWeakPointer m_LUT; vtkWeakPointer m_opacityFunction; vtkWeakPointer m_inputData; VTK::QVTKWidget* m_qvtk; }; } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_HISTOGRAMWIDGET_H avogadrolibs-1.100.0/avogadro/qtplugins/coloropacitymap/vtkChartHistogram.cpp000066400000000000000000000164251474375334400275600ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #include "vtkChartHistogram.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include "vtkCustomPiecewiseControlPointsItem.h" class vtkHistogramMarker : public vtkPlot { public: static vtkHistogramMarker* New(); double PositionX; bool Paint(vtkContext2D* painter) override { vtkNew pen; pen->SetColor(255, 0, 0, 255); pen->SetWidth(2.0); painter->ApplyPen(pen.Get()); painter->DrawLine(PositionX, 0, PositionX, 1e9); return true; } }; vtkStandardNewMacro(vtkHistogramMarker) vtkStandardNewMacro(vtkChartHistogram) vtkChartHistogram::vtkChartHistogram() { this->SetBarWidthFraction(1.0); this->SetRenderEmpty(true); this->SetAutoAxes(false); this->ZoomWithMouseWheelOff(); this->GetAxis(vtkAxis::LEFT)->SetTitle(""); this->GetAxis(vtkAxis::BOTTOM)->SetTitle(""); this->GetAxis(vtkAxis::BOTTOM)->SetBehavior(vtkAxis::FIXED); this->GetAxis(vtkAxis::BOTTOM)->SetRange(0, 255); this->GetAxis(vtkAxis::LEFT)->SetBehavior(vtkAxis::FIXED); this->GetAxis(vtkAxis::LEFT)->SetRange(0.0001, 10); this->GetAxis(vtkAxis::LEFT)->SetMinimumLimit(1); this->GetAxis(vtkAxis::LEFT)->SetLogScale(true); this->GetAxis(vtkAxis::LEFT)->SetNotation(vtkAxis::SCIENTIFIC_NOTATION); this->GetAxis(vtkAxis::LEFT)->SetPrecision(1); this->GetAxis(vtkAxis::RIGHT)->SetBehavior(vtkAxis::FIXED); this->GetAxis(vtkAxis::RIGHT)->SetRange(0.0, 1.0); this->GetAxis(vtkAxis::RIGHT)->SetVisible(false); int fontSize = 8; this->GetAxis(vtkAxis::LEFT)->GetLabelProperties()->SetFontSize(fontSize); this->GetAxis(vtkAxis::BOTTOM)->GetLabelProperties()->SetFontSize(fontSize); this->GetAxis(vtkAxis::RIGHT)->GetLabelProperties()->SetFontSize(fontSize); this->GetTooltip()->GetTextProperties()->SetFontSize(fontSize); // Set up the plot bar this->AddPlot(this->HistogramPlotBar.Get()); this->HistogramPlotBar->SetColor(0, 0, 255, 255); this->HistogramPlotBar->GetPen()->SetLineType(vtkPen::NO_PEN); this->HistogramPlotBar->SetSelectable(false); // Set up and add the opacity editor chart items this->OpacityFunctionItem->SetOpacity( 0.0); // don't show the transfer function this->AddPlot(this->OpacityFunctionItem.Get()); this->SetPlotCorner(this->OpacityFunctionItem.Get(), 1); this->OpacityControlPointsItem->SetEndPointsXMovable(false); this->OpacityControlPointsItem->SetEndPointsYMovable(true); this->OpacityControlPointsItem->SetEndPointsRemovable(false); vtkPen* pen = this->OpacityControlPointsItem->GetPen(); pen->SetLineType(vtkPen::SOLID_LINE); pen->SetColor(0, 0, 0); pen->SetOpacity(255); pen->SetWidth(2.0); this->AddPlot(this->OpacityControlPointsItem.Get()); this->SetPlotCorner(this->OpacityControlPointsItem.Get(), 1); } vtkChartHistogram::~vtkChartHistogram() {} bool vtkChartHistogram::MouseDoubleClickEvent(const vtkContextMouseEvent& m) { // Determine the location of the click, and emit something we can listen to! vtkPlotBar* histo = nullptr; if (this->GetNumberOfPlots() > 0) { histo = vtkPlotBar::SafeDownCast(this->GetPlot(0)); } if (!histo) { return false; } this->CalculateUnscaledPlotTransform(histo->GetXAxis(), histo->GetYAxis(), this->Transform.Get()); vtkVector2f pos; this->Transform->InverseTransformPoints(m.GetScenePos().GetData(), pos.GetData(), 1); this->ContourValue = pos.GetX(); this->Marker->PositionX = this->ContourValue; this->Marker->Modified(); this->Scene->SetDirty(true); if (this->GetNumberOfPlots() > 0) { // Work around a bug in the charts - ensure corner is invalid for the plot. this->Marker->SetXAxis(nullptr); this->Marker->SetYAxis(nullptr); this->AddPlot(this->Marker.Get()); } this->InvokeEvent(vtkCommand::CursorChangedEvent); return true; } void vtkChartHistogram::SetHistogramInputData(vtkTable* table, const char* xAxisColumn, const char* yAxisColumn) { this->HistogramPlotBar->SetInputData(table, xAxisColumn, yAxisColumn); // vtkPlotBar doesn't seem to behave well when given a null table, // so we just hide the components. auto setItemsVisible = [this](bool vis) { this->HistogramPlotBar->SetVisible(vis); this->OpacityFunctionItem->SetVisible(vis); this->OpacityControlPointsItem->SetVisible(vis); }; if (!table) { // Set axis this->GetAxis(vtkAxis::LEFT)->SetRange(0, 1.0); this->GetAxis(vtkAxis::BOTTOM)->SetRange(0, 255); // Set visibility of items setItemsVisible(false); return; } if (!this->HistogramPlotBar->GetVisible()) { setItemsVisible(true); } // Set the range of the axes vtkDataArray* yArray = vtkDataArray::SafeDownCast(table->GetColumnByName(yAxisColumn)); if (!yArray) { return; } double max = log10(yArray->GetRange()[1]); vtkAxis* leftAxis = this->GetAxis(vtkAxis::LEFT); leftAxis->SetUnscaledMinimum(1.0); leftAxis->SetMaximumLimit(max + 2.0); leftAxis->SetMaximum(static_cast(max) + 1.0); vtkDataArray* xArray = vtkDataArray::SafeDownCast(table->GetColumnByName(xAxisColumn)); if (xArray && xArray->GetNumberOfTuples() > 2) { double range[2]; xArray->GetRange(range); double halfInc = (xArray->GetTuple1(1) - xArray->GetTuple1(0)) / 2.0; vtkAxis* bottomAxis = this->GetAxis(vtkAxis::BOTTOM); bottomAxis->SetBehavior(vtkAxis::FIXED); bottomAxis->SetRange(range[0] - halfInc, range[1] + halfInc); } // reset the right axis vtkAxis* rightAxis = this->GetAxis(vtkAxis::RIGHT); rightAxis->SetBehavior(vtkAxis::FIXED); rightAxis->SetRange(0.0, 1.0); } void vtkChartHistogram::SetScalarVisibility(bool visible) { this->HistogramPlotBar->SetScalarVisibility(visible); } void vtkChartHistogram::SetHistogramVisible(bool visible) { this->HistogramPlotBar->SetVisible(visible); } void vtkChartHistogram::SetMarkerVisible(bool visible) { this->Marker->SetVisible(visible); } void vtkChartHistogram::ScalarVisibilityOn() { this->HistogramPlotBar->ScalarVisibilityOn(); } void vtkChartHistogram::SetLookupTable(vtkScalarsToColors* lut) { this->HistogramPlotBar->SetLookupTable(lut); } void vtkChartHistogram::SelectColorArray(const char* arrayName) { this->HistogramPlotBar->SelectColorArray(arrayName); } void vtkChartHistogram::SetOpacityFunction( vtkPiecewiseFunction* opacityFunction) { this->OpacityFunctionItem->SetPiecewiseFunction(opacityFunction); this->OpacityControlPointsItem->SetPiecewiseFunction(opacityFunction); } void vtkChartHistogram::SetDPI(int dpi) { if (this->GetScene()) { vtkRenderer* renderer = this->GetScene()->GetRenderer(); if (renderer && renderer->GetRenderWindow()) { renderer->GetRenderWindow()->SetDPI(dpi); } } } avogadrolibs-1.100.0/avogadro/qtplugins/coloropacitymap/vtkChartHistogram.h000066400000000000000000000035521474375334400272220ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #ifndef tomvizvtkChartHistogram_h #define tomvizvtkChartHistogram_h #include #include #include class vtkContextMouseEvent; class vtkCustomPiecewiseControlPointsItem; class vtkHistogramMarker; class vtkPiecewiseFunction; class vtkPiecewiseFunctionItem; class vtkPlotBar; class vtkScalarsToColors; class vtkTable; class vtkChartHistogram : public vtkChartXY { public: static vtkChartHistogram* New(); bool MouseDoubleClickEvent(const vtkContextMouseEvent& mouse) override; // Set input for histogram virtual void SetHistogramInputData(vtkTable* table, const char* xAxisColumn, const char* yAxisColumn); // Set scalar visibility in the histogram plot bar virtual void SetScalarVisibility(bool visible); virtual void ScalarVisibilityOn(); void SetHistogramVisible(bool visible); void SetMarkerVisible(bool visible); // Set lookup table virtual void SetLookupTable(vtkScalarsToColors* lut); // Set the color array name virtual void SelectColorArray(const char* arrayName); // Set opacity function from a transfer function virtual void SetOpacityFunction(vtkPiecewiseFunction* opacityFunction); // Set the contour value from the contour marker vtkSetMacro(ContourValue, double) vtkGetMacro(ContourValue, double) // Set the DPI of the chart. void SetDPI(int dpi); protected: vtkNew Transform; double ContourValue; vtkNew Marker; vtkNew HistogramPlotBar; vtkNew OpacityFunctionItem; vtkNew OpacityControlPointsItem; private: vtkChartHistogram(); virtual ~vtkChartHistogram(); }; #endif // tomvizvtkChartHistogram_h avogadrolibs-1.100.0/avogadro/qtplugins/coloropacitymap/vtkChartHistogramColorOpacityEditor.cpp000066400000000000000000000212011474375334400332430ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #include "vtkChartHistogramColorOpacityEditor.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include "vtkChartHistogram.h" class vtkChartHistogramColorOpacityEditor::PIMPL { public: PIMPL() : Geometry(0, 0), NeedsUpdate(true) {} ~PIMPL() {} void ForwardEvent(vtkObject* vtkNotUsed(object), unsigned long eventId, void* vtkNotUsed(data)) { this->Self->InvokeEvent(eventId); } // Cached geometry of the chart vtkVector2i Geometry; // Dirty bit bool NeedsUpdate; // Reference to owner of the PIMPL vtkChartHistogramColorOpacityEditor* Self; }; vtkStandardNewMacro(vtkChartHistogramColorOpacityEditor) vtkChartHistogramColorOpacityEditor::vtkChartHistogramColorOpacityEditor() { this->Private = new PIMPL(); this->Private->Self = this; this->Borders[vtkAxis::LEFT] = 8; this->Borders[vtkAxis::BOTTOM] = 8; this->Borders[vtkAxis::RIGHT] = 8; this->Borders[vtkAxis::TOP] = 20; this->HistogramChart->SetHiddenAxisBorder(10); this->HistogramChart->SetLayoutStrategy(vtkChart::AXES_TO_RECT); this->ColorTransferFunctionChart->SetBarWidthFraction(1.0); this->ColorTransferFunctionChart->SetHiddenAxisBorder(8); this->ColorTransferFunctionChart->SetRenderEmpty(true); this->ColorTransferFunctionChart->SetAutoAxes(false); this->ColorTransferFunctionChart->ZoomWithMouseWheelOff(); this->ColorTransferFunctionChart->SetLayoutStrategy(vtkChart::AXES_TO_RECT); this->ColorTransferFunctionItem->SelectableOff(); this->ColorTransferControlPointsItem->SetEndPointsXMovable(false); this->ColorTransferControlPointsItem->SetEndPointsYMovable(true); this->ColorTransferControlPointsItem->SetEndPointsRemovable(false); this->ColorTransferControlPointsItem->SelectableOff(); this->ColorTransferFunctionChart->AddPlot( this->ColorTransferFunctionItem.Get()); this->ColorTransferFunctionChart->SetPlotCorner( this->ColorTransferFunctionItem.Get(), 1); this->ColorTransferFunctionChart->AddPlot( this->ColorTransferControlPointsItem.Get()); this->ColorTransferFunctionChart->SetPlotCorner( this->ColorTransferControlPointsItem.Get(), 1); vtkAxis* bottomAxis = this->ColorTransferFunctionChart->GetAxis(vtkAxis::BOTTOM); bottomAxis->SetTitle(""); bottomAxis->SetBehavior(vtkAxis::FIXED); bottomAxis->SetVisible(false); bottomAxis->SetRange(0, 255); vtkAxis* leftAxis = this->ColorTransferFunctionChart->GetAxis(vtkAxis::LEFT); leftAxis->SetTitle(""); leftAxis->SetBehavior(vtkAxis::FIXED); leftAxis->SetVisible(false); vtkAxis* topAxis = this->ColorTransferFunctionChart->GetAxis(vtkAxis::TOP); topAxis->SetVisible(false); this->AddItem(this->HistogramChart.Get()); this->AddItem(this->ColorTransferFunctionChart.Get()); // Forward events from internal charts to observers of this object this->HistogramChart->AddObserver(vtkCommand::CursorChangedEvent, this->Private, &PIMPL::ForwardEvent); this->ColorTransferControlPointsItem->AddObserver( vtkCommand::EndEvent, this->Private, &PIMPL::ForwardEvent); this->ColorTransferControlPointsItem->AddObserver( vtkControlPointsItem::CurrentPointEditEvent, this->Private, &PIMPL::ForwardEvent); } vtkChartHistogramColorOpacityEditor::~vtkChartHistogramColorOpacityEditor() { delete this->Private; } void vtkChartHistogramColorOpacityEditor::SetHistogramInputData( vtkTable* table, const char* xAxisColumn, const char* yAxisColumn) { this->HistogramChart->SetHistogramInputData(table, xAxisColumn, yAxisColumn); if (!table) { this->ColorTransferFunctionChart->SetVisible(false); return; } if (!this->ColorTransferFunctionChart->GetVisible()) { this->ColorTransferFunctionChart->SetVisible(true); this->ColorTransferFunctionChart->RecalculateBounds(); } // The histogram chart bottom axis range was updated in the call above. // Set the same range for the color bar bottom axis here. vtkAxis* histogramBottomAxis = this->HistogramChart->GetAxis(vtkAxis::BOTTOM); double axisRange[2]; histogramBottomAxis->GetRange(axisRange); vtkAxis* bottomAxis = this->ColorTransferFunctionChart->GetAxis(vtkAxis::BOTTOM); bottomAxis->SetRange(axisRange); // The data range may change and cause the labels to change. Hence, update // the geometry. this->Private->NeedsUpdate = true; } void vtkChartHistogramColorOpacityEditor::SetColorTransferFunction( vtkColorTransferFunction* ctf) { this->HistogramChart->SetLookupTable(ctf); this->ColorTransferFunctionItem->SetColorTransferFunction(ctf); this->ColorTransferControlPointsItem->SetColorTransferFunction(ctf); this->ColorTransferFunctionChart->RecalculateBounds(); } void vtkChartHistogramColorOpacityEditor::SetScalarVisibility(bool visible) { this->HistogramChart->SetScalarVisibility(visible); } void vtkChartHistogramColorOpacityEditor::SelectColorArray( const char* arrayName) { this->HistogramChart->SelectColorArray(arrayName); } void vtkChartHistogramColorOpacityEditor::SetOpacityFunction( vtkPiecewiseFunction* opacityFunction) { this->HistogramChart->SetOpacityFunction(opacityFunction); } vtkAxis* vtkChartHistogramColorOpacityEditor::GetHistogramAxis(int axis) { return this->HistogramChart->GetAxis(axis); } bool vtkChartHistogramColorOpacityEditor::GetCurrentControlPointColor( double rgb[3]) { vtkColorTransferFunction* ctf = this->ColorTransferControlPointsItem->GetColorTransferFunction(); if (!ctf) { return false; } vtkIdType currentIdx = this->ColorTransferControlPointsItem->GetCurrentPoint(); if (currentIdx < 0) { return false; } double xrgbms[6]; ctf->GetNodeValue(currentIdx, xrgbms); rgb[0] = xrgbms[1]; rgb[1] = xrgbms[2]; rgb[2] = xrgbms[3]; return true; } void vtkChartHistogramColorOpacityEditor::SetCurrentControlPointColor( const double rgb[3]) { vtkColorTransferFunction* ctf = this->ColorTransferControlPointsItem->GetColorTransferFunction(); if (!ctf) { return; } vtkIdType currentIdx = this->ColorTransferControlPointsItem->GetCurrentPoint(); if (currentIdx < 0) { return; } double xrgbms[6]; ctf->GetNodeValue(currentIdx, xrgbms); xrgbms[1] = rgb[0]; xrgbms[2] = rgb[1]; xrgbms[3] = rgb[2]; ctf->SetNodeValue(currentIdx, xrgbms); } double vtkChartHistogramColorOpacityEditor::GetContourValue() { return this->HistogramChart->GetContourValue(); } void vtkChartHistogramColorOpacityEditor::SetDPI(int dpi) { if (this->HistogramChart.Get()) { this->HistogramChart->SetDPI(dpi); } } bool vtkChartHistogramColorOpacityEditor::Paint(vtkContext2D* painter) { vtkContextScene* scene = this->GetScene(); int sceneWidth = scene->GetSceneWidth(); int sceneHeight = scene->GetSceneHeight(); if (this->Private->NeedsUpdate || sceneWidth != this->Private->Geometry.GetX() || sceneHeight != this->Private->Geometry.GetY()) { this->Private->NeedsUpdate = false; // Update the geometry size cache this->Private->Geometry.Set(sceneWidth, sceneHeight); // Upper chart (histogram) expands, lower chart (color bar) is fixed height. float x = this->Borders[vtkAxis::LEFT]; float y = this->Borders[vtkAxis::BOTTOM]; // Add the width of the left axis to x to make room for y labels this->GetHistogramAxis(vtkAxis::LEFT)->Update(); float leftAxisWidth = this->GetHistogramAxis(vtkAxis::LEFT) ->GetBoundingRect(painter) .GetWidth(); x += leftAxisWidth; float colorBarThickness = 20; float plotWidth = sceneWidth - x - this->Borders[vtkAxis::RIGHT]; vtkRectf colorTransferFunctionChartSize(x, y, plotWidth, colorBarThickness); this->ColorTransferFunctionChart->SetSize(colorTransferFunctionChartSize); this->ColorTransferFunctionChart->RecalculateBounds(); float bottomAxisHeight = this->GetHistogramAxis(vtkAxis::BOTTOM) ->GetBoundingRect(painter) .GetHeight(); float verticalMargin = bottomAxisHeight; y += colorBarThickness + verticalMargin - 5; vtkRectf histogramChart(x, y, plotWidth, sceneHeight - y - this->Borders[vtkAxis::TOP]); this->HistogramChart->SetSize(histogramChart); } return this->Superclass::Paint(painter); } avogadrolibs-1.100.0/avogadro/qtplugins/coloropacitymap/vtkChartHistogramColorOpacityEditor.h000066400000000000000000000052061474375334400327170ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #ifndef tomvizvtkChartHistogramColorOpacityEditor_h #define tomvizvtkChartHistogramColorOpacityEditor_h #include #include class vtkAxis; class vtkChartHistogram; class vtkChartXY; class vtkColorTransferControlPointsItem; class vtkColorTransferFunction; class vtkColorTransferFunctionItem; class vtkPiecewiseFunction; class vtkScalarsToColors; class vtkTable; // This class is a chart that combines a histogram from a data set // a color bar editor, and an opacity editor. class vtkChartHistogramColorOpacityEditor : public vtkAbstractContextItem { public: vtkTypeMacro( vtkChartHistogramColorOpacityEditor, vtkAbstractContextItem) static vtkChartHistogramColorOpacityEditor* New(); // Set the input data. void SetHistogramInputData(vtkTable* table, const char* xAxisColumn, const char* yAxisColumn); // Set the lookup table. void SetColorTransferFunction(vtkColorTransferFunction* lut); // Enable or disable scalar visibility. virtual void SetScalarVisibility(bool visible); // Set the name of the array by which the histogram should be colored. virtual void SelectColorArray(const char* arrayName); // Set the opacity function. virtual void SetOpacityFunction(vtkPiecewiseFunction* opacityFunction); // Get an axis from the histogram chart. vtkAxis* GetHistogramAxis(int axis); // Get the color of the current color control point. Returns true if there // is a currently selected control point, false otherwise. bool GetCurrentControlPointColor(double rgb[3]); // Set the color of the current color control point. void SetCurrentControlPointColor(const double rgb[3]); // Get the current contour value double GetContourValue(); // Set the DPI void SetDPI(int); // Paint event for the editor. virtual bool Paint(vtkContext2D* painter) override; protected: // This provides the histogram, contour value marker, and opacity editor. vtkNew HistogramChart; // This is used for the color transfer function editor. vtkNew ColorTransferFunctionChart; // Controls for color transfer function editor. vtkNew ColorTransferControlPointsItem; // Display of color transfer function. vtkNew ColorTransferFunctionItem; private: vtkChartHistogramColorOpacityEditor(); ~vtkChartHistogramColorOpacityEditor() override; class PIMPL; PIMPL* Private; float Borders[4]; }; #endif // tomvizvtkChartHistogramColorOpacityEditor_h avogadrolibs-1.100.0/avogadro/qtplugins/coloropacitymap/vtkCustomPiecewiseControlPointsItem.cpp000066400000000000000000000036271474375334400333260ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #include "vtkCustomPiecewiseControlPointsItem.h" #include #include #include #include vtkStandardNewMacro(vtkCustomPiecewiseControlPointsItem) vtkCustomPiecewiseControlPointsItem::vtkCustomPiecewiseControlPointsItem() {} vtkCustomPiecewiseControlPointsItem::~vtkCustomPiecewiseControlPointsItem() {} bool vtkCustomPiecewiseControlPointsItem::MouseButtonPressEvent( const vtkContextMouseEvent& mouse) { // Ignore middle- and right-click events if (mouse.GetButton() != vtkContextMouseEvent::LEFT_BUTTON) { return false; } vtkVector2f vpos = mouse.GetPos(); this->TransformScreenToData(vpos, vpos); double pos[2]; pos[0] = vpos.GetX(); pos[1] = vpos.GetY(); bool pointOnFunction = this->PointNearPiecewiseFunction(pos); if (!pointOnFunction) { this->SetCurrentPoint(-1); return false; } return this->Superclass::MouseButtonPressEvent(mouse); } bool vtkCustomPiecewiseControlPointsItem::MouseDoubleClickEvent( const vtkContextMouseEvent& mouse) { // Ignore middle- and right-click events if (mouse.GetButton() != vtkContextMouseEvent::LEFT_BUTTON) { return false; } return this->Superclass::MouseDoubleClickEvent(mouse); } bool vtkCustomPiecewiseControlPointsItem::PointNearPiecewiseFunction( const double position[2]) { double x = position[0]; double y = 0.0; vtkPiecewiseFunction* pwf = this->GetPiecewiseFunction(); if (!pwf) { return false; } // Evaluate the piewewise function at the given point and get the y position. // If we are within a small distance of the piecewise function, return true. // Otherwise, we are too far away from the line, and return false. pwf->GetTable(x, x, 1, &y, 1); return (fabs(y - position[1]) < 0.05); } avogadrolibs-1.100.0/avogadro/qtplugins/coloropacitymap/vtkCustomPiecewiseControlPointsItem.h000066400000000000000000000026411474375334400327660ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #ifndef tomvizvtkCustomPiecewiseControlPointsItem_h #define tomvizvtkCustomPiecewiseControlPointsItem_h #include class vtkContextMouseEvent; // Special control points item class that overrides the MouseDoubleClickEvent() // event handler to do nothing. class vtkCustomPiecewiseControlPointsItem : public vtkPiecewiseControlPointsItem { public: vtkTypeMacro( vtkCustomPiecewiseControlPointsItem, vtkPiecewiseControlPointsItem) static vtkCustomPiecewiseControlPointsItem* New(); // Override to ignore button presses if the control modifier key is pressed. bool MouseButtonPressEvent(const vtkContextMouseEvent& mouse) override; // Override to avoid catching double-click events bool MouseDoubleClickEvent(const vtkContextMouseEvent& mouse) override; protected: vtkCustomPiecewiseControlPointsItem(); virtual ~vtkCustomPiecewiseControlPointsItem(); // Utility function to determine whether a position is near the piecewise // function. bool PointNearPiecewiseFunction(const double pos[2]); private: vtkCustomPiecewiseControlPointsItem( const vtkCustomPiecewiseControlPointsItem&); // Not implemented. void operator=( const vtkCustomPiecewiseControlPointsItem&); // Not implemented. }; #endif // tomvizvtkCustomPiecewiseControlPointsItem_h avogadrolibs-1.100.0/avogadro/qtplugins/commandscripts/000077500000000000000000000000001474375334400232215ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/commandscripts/CMakeLists.txt000066400000000000000000000005001474375334400257540ustar00rootroot00000000000000# Extension set(command_srcs command.cpp ) avogadro_plugin(commands "Script commands" ExtensionPlugin command.h Command "${command_srcs}" ) target_link_libraries(commands PRIVATE Avogadro::IO) # We no longer bundle scripts because they should be downloaded separately. # This also helps base translations.avogadrolibs-1.100.0/avogadro/qtplugins/commandscripts/command.cpp000066400000000000000000000234531474375334400253520ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "command.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using Avogadro::QtGui::InterfaceScript; using Avogadro::QtGui::InterfaceWidget; Command::Command(QObject* parent_) : ExtensionPlugin(parent_), m_molecule(nullptr), m_currentDialog(nullptr), m_currentInterface(nullptr), m_currentScript(nullptr), m_progress(nullptr), m_outputFormat(nullptr) { refreshScripts(); } Command::~Command() { qDeleteAll(m_dialogs.values()); m_dialogs.clear(); } QList Command::actions() const { return m_actions; } QStringList Command::menuPath(QAction* action) const { QString scriptFileName = action->data().toString(); QStringList path; // if we're passed the "Set Python" action if (scriptFileName.isEmpty()) { path << tr("&Extensions") << tr("Scripts"); return path; } // cache the menu paths QSettings settings; QFileInfo info(scriptFileName); // check if the script matches the hash QString hash = settings.value("scripts/" + scriptFileName + "/hash").toString(); if (hash == QString::number(info.size()) + info.lastModified().toString()) { path = settings.value("scripts/" + scriptFileName + "/menu").toStringList(); if (!path.isEmpty()) return path; } // otherwise, we have a script name, so ask it InterfaceScript gen(scriptFileName); path = gen.menuPath().split('|'); if (gen.hasErrors()) { path << tr("&Extensions") << tr("Scripts"); qWarning() << "Command: Unable to retrieve menu " "name for: " << scriptFileName << "." << gen.errorList().join("\n\n"); return path; } // look for {number} in the last part of the path // (this is a priority integer) QString lastPart = path.takeLast(); int priority = 0; int braceIndex = lastPart.indexOf('{'); int endBraceIndex = lastPart.indexOf('}'); if (braceIndex >= 0 && endBraceIndex >= 0 && endBraceIndex > braceIndex) { bool ok = false; size_t len = endBraceIndex - braceIndex - 1; priority = lastPart.mid(braceIndex + 1, len).toInt(&ok); if (ok) { lastPart = lastPart.left(braceIndex); } } // add it back to the path path << lastPart; // cache the path settings.setValue("scripts/" + scriptFileName + "/menu", path); if (priority != 0) { action->setProperty("menu priority", priority); } // try to translate each part of the path // not ideal, but most menus should already be in the translation file QStringList translatedPath; foreach (QString part, path) translatedPath << tr(part.toUtf8()); return translatedPath; } void Command::setMolecule(QtGui::Molecule* mol) { if (m_molecule == mol) return; m_molecule = mol; foreach (InterfaceWidget* dlg, m_dialogs.values()) dlg->setMolecule(mol); } bool Command::readMolecule(QtGui::Molecule& mol) { Io::FileFormat* reader = m_outputFormat->newInstance(); bool success = reader->readFile(m_outputFileName.toStdString(), mol); if (!success) { QMessageBox::information(qobject_cast(parent()), tr("Error"), tr("Error reading output file '%1':\n%2") .arg(m_outputFileName) .arg(QString::fromStdString(reader->error()))); } m_outputFormat = nullptr; m_outputFileName.clear(); return success; } void Command::refreshScripts() { updateScripts(); updateActions(); } void Command::menuActivated() { auto* theSender = qobject_cast(sender()); if (!theSender) return; QString scriptFileName = theSender->data().toString(); QWidget* theParent = qobject_cast(parent()); if (m_currentDialog) { delete m_currentDialog->layout(); if (m_currentInterface) m_currentInterface->hide(); } // check if there are any options before this song-and-dance InterfaceWidget* widget = m_dialogs.value(scriptFileName, nullptr); if (!widget) { widget = new InterfaceWidget(scriptFileName, theParent); m_dialogs.insert(scriptFileName, widget); } widget->setMolecule(m_molecule); m_currentInterface = widget; // remember this when we get the run() signal if (widget->isEmpty()) { run(); // no options, do it immediately return; } m_currentDialog = new QDialog(theParent); QString title; QtGui::ScriptLoader::queryProgramName(scriptFileName, title); m_currentDialog->setWindowTitle(title); auto* vbox = new QVBoxLayout(); widget->show(); vbox->addWidget(widget); auto* buttonBox = new QDialogButtonBox(QDialogButtonBox::Ok | QDialogButtonBox::Cancel); connect(buttonBox, SIGNAL(accepted()), this, SLOT(run())); connect(buttonBox, SIGNAL(rejected()), m_currentDialog, SLOT(reject())); vbox->addWidget(buttonBox); m_currentDialog->setLayout(vbox); m_currentDialog->exec(); } void Command::run() { if (m_currentDialog) m_currentDialog->accept(); if (m_progress) m_progress->deleteLater(); if (m_currentScript) { disconnect(m_currentScript, SIGNAL(finished()), this, SLOT(processFinished())); m_currentScript->deleteLater(); } if (m_currentInterface) { QJsonObject options = m_currentInterface->collectOptions(); // @todo - need a cleaner way to get a script pointer from the widget QString scriptFilePath = m_currentInterface->interfaceScript().scriptFilePath(); m_currentScript = new InterfaceScript(scriptFilePath, parent()); connect(m_currentScript, SIGNAL(finished()), this, SLOT(processFinished())); // no cancel button - just an indication we're waiting... QString title = tr("Processing %1").arg(m_currentScript->displayName()); m_progress = new QProgressDialog(title, QString(), 0, 0, qobject_cast(parent())); m_progress->setMinimumDuration(1000); // 1 second m_currentScript->runCommand(options, m_molecule); } } void Command::processFinished() { if (m_currentScript == nullptr) return; if (m_progress) { m_progress->close(); m_progress->deleteLater(); m_progress = nullptr; } m_currentScript->processCommand(m_molecule); // collect errors if (m_currentScript->hasErrors()) { qWarning() << m_currentScript->errorList(); } } void Command::configurePython() { // Create objects QSettings settings; QDialog dlg(qobject_cast(parent())); auto* label = new QLabel; auto* layout = new QVBoxLayout; auto* browser = new QtGui::FileBrowseWidget; auto* buttonBox = new QDialogButtonBox; // Configure objects // Check for python interpreter in env var QString pythonInterp = QString::fromLocal8Bit(qgetenv("AVO_PYTHON_INTERPRETER")); if (pythonInterp.isEmpty()) { // Check settings pythonInterp = settings.value("interpreters/python", QString()).toString(); } // Use compile-time default if still not found. if (pythonInterp.isEmpty()) pythonInterp = QString(pythonInterpreterPath); browser->setMode(QtGui::FileBrowseWidget::ExecutableFile); browser->setFileName(pythonInterp); buttonBox->setStandardButtons(QDialogButtonBox::Ok | QDialogButtonBox::Cancel); dlg.setWindowTitle(tr("Set path to Python interpreter:")); label->setText( tr("Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect.")); // Build layout layout->addWidget(label); layout->addWidget(browser); layout->addWidget(buttonBox); dlg.setLayout(layout); // Connect connect(buttonBox, SIGNAL(accepted()), &dlg, SLOT(accept())); connect(buttonBox, SIGNAL(rejected()), &dlg, SLOT(reject())); // Show dialog auto response = static_cast(dlg.exec()); if (response != QDialog::Accepted) return; // Handle response settings.setValue("interpreters/python", browser->fileName()); } void Command::updateScripts() { m_commandScripts = QtGui::ScriptLoader::scriptList("commands"); } void Command::updateActions() { m_actions.clear(); // QAction* action = new QAction(tr("Set Python Path…"), this); // connect(action, SIGNAL(triggered()), SLOT(configurePython())); // m_actions << action; foreach (const QString& programName, m_commandScripts.uniqueKeys()) { QStringList scripts = m_commandScripts.values(programName); // Include the full path if there are multiple generators with the same // name. if (scripts.size() == 1) { addAction(programName, scripts.first()); } else { foreach (const QString& filePath, scripts) { addAction(QString("%1 (%2)").arg(programName, filePath), filePath); } } } } void Command::addAction(const QString& label, const QString& scriptFilePath) { auto* action = new QAction(tr(label.toUtf8()), this); action->setData(scriptFilePath); action->setEnabled(true); connect(action, SIGNAL(triggered()), SLOT(menuActivated())); m_actions << action; } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/commandscripts/command.h000066400000000000000000000042461474375334400250160ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_COMMAND_H #define AVOGADRO_QTPLUGINS_COMMAND_H #include #include #include class QAction; class QDialog; class QProgressDialog; namespace Avogadro { namespace Io { class FileFormat; } namespace QtGui { class InterfaceScript; class InterfaceWidget; } // namespace QtGui namespace QtPlugins { /** * @brief The Command class implements the extension interface for * external (script) Commands * @author Geoffrey R. Hutchison */ class Command : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit Command(QObject* parent = nullptr); ~Command() override; QString name() const override { return tr("Command scripts"); } QString description() const override { return tr("Run external script commands"); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule* mol) override; public slots: /** * Scan for new scripts in the command directories. */ void refreshScripts(); void run(); bool readMolecule(QtGui::Molecule& mol) override; void processFinished(); private slots: void menuActivated(); void configurePython(); private: void updateScripts(); void updateActions(); void addAction(const QString& label, const QString& scriptFilePath); QList m_actions; QtGui::Molecule* m_molecule; // keyed on script file path QMap m_dialogs; QDialog* m_currentDialog; QtGui::InterfaceWidget* m_currentInterface; QtGui::InterfaceScript* m_currentScript; QProgressDialog* m_progress; // maps program name --> script file path QMultiMap m_commandScripts; const Io::FileFormat* m_outputFormat; QString m_outputFileName; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_COMMAND_H avogadrolibs-1.100.0/avogadro/qtplugins/configurepython/000077500000000000000000000000001474375334400234165ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/configurepython/CMakeLists.txt000066400000000000000000000003531474375334400261570ustar00rootroot00000000000000avogadro_plugin(ConfigurePython "Configure Python environments." ExtensionPlugin configurepython.h ConfigurePython "condadialog.cpp;configurepython.cpp;configurepythondialog.cpp" "condadialog.ui;configurepythondialog.ui" ) avogadrolibs-1.100.0/avogadro/qtplugins/configurepython/condadialog.cpp000066400000000000000000000012401474375334400263630ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "condadialog.h" #include "ui_condadialog.h" namespace Avogadro::QtPlugins { CondaDialog::CondaDialog(QWidget* aParent) : QDialog(aParent), m_ui(new Ui::CondaDialog) { m_ui->setupUi(this); } CondaDialog::~CondaDialog() { delete m_ui; } QString CondaDialog::environmentName() const { return m_ui->environmentName->text(); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/configurepython/condadialog.h000066400000000000000000000015311474375334400260330ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_CONDADIALOG_H #define AVOGADRO_QTPLUGINS_CONDADIALOG_H #include namespace Avogadro { namespace QtPlugins { namespace Ui { class CondaDialog; } /** * @brief Dialog to prompt a format and descriptor string. */ class CondaDialog : public QDialog { Q_OBJECT public: explicit CondaDialog(QWidget* parent = nullptr); ~CondaDialog() override; QString environmentName() const; private: Ui::CondaDialog* m_ui; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_CONDADIALOG_H avogadrolibs-1.100.0/avogadro/qtplugins/configurepython/condadialog.ui000066400000000000000000000052771474375334400262340ustar00rootroot00000000000000 Avogadro::QtPlugins::CondaDialog 0 0 376 169 0 0 Python Settings… Only the “base” conda environment exists. Would you like to create a new environment for Avogadro? This will make a copy of your base environment. Environment name: avogadro Qt::Vertical 20 0 Qt::Horizontal QDialogButtonBox::Cancel|QDialogButtonBox::Ok buttonBox accepted() Avogadro::QtPlugins::CondaDialog accept() 187 148 187 84 buttonBox rejected() Avogadro::QtPlugins::CondaDialog reject() 187 148 187 84 avogadrolibs-1.100.0/avogadro/qtplugins/configurepython/configurepython.cpp000066400000000000000000000144731474375334400273560ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "configurepython.h" #include "configurepythondialog.h" #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using QtGui::FileBrowseWidget; using QtGui::Utilities::findExecutablePaths; ConfigurePython::ConfigurePython(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_action(new QAction(this)), m_dialog(nullptr) { m_action->setEnabled(true); m_action->setText(tr("Python Settings…")); m_action->setProperty("menu priority", 510); connect(m_action, SIGNAL(triggered()), SLOT(showDialog())); // check for Python on first launch QStringList paths = pythonPaths(); QSettings settings; if (paths.isEmpty()) { // show a warning if (settings.contains("interpreters/firstlaunch")) return; // the user ignored the warning // suggest the user install Python auto option = QMessageBox::information( qobject_cast(parent()), tr("Install Python"), tr("Python is used for many Avogadro " "features. Do you want to download Python?")); if (option == QMessageBox::Yes) { // QUrl miniforge; #ifdef Q_OS_WIN // TODO: ARM or Intel? .. but conda-forge doesn't have ARM builds yet miniforge = QUrl("https://github.com/conda-forge/miniforge/releases/" "latest/download/Miniforge3-Windows-x86_64.exe"); #elif defined(Q_OS_MACOS) // ARM or Intel? if (QSysInfo::currentCpuArchitecture().contains("arm")) miniforge = QUrl("https://github.com/conda-forge/miniforge/releases/" "latest/download/Miniforge3-MacOSX-arm64.sh"); else miniforge = QUrl("https://github.com/conda-forge/miniforge/releases/" "latest/download/Miniforge3-MacOSX-x86_64.sh"); #else QString arch = QSysInfo::currentCpuArchitecture(); if (arch.contains("arm")) miniforge = QUrl("https://github.com/conda-forge/miniforge/releases/" "latest/download/Miniforge3-Linux-aarch64.sh"); else if (arch.contains("ppc")) miniforge = QUrl("https://github.com/conda-forge/miniforge/releases/" "latest/download/Miniforge3-Linux-ppc64le.sh"); else miniforge = QUrl("https://github.com/conda-forge/miniforge/releases/" "latest/download/Miniforge3-Linux-x86_64.sh"); #endif if (miniforge.isValid()) { QDesktopServices::openUrl(miniforge); // open install instructions QDesktopServices::openUrl(QUrl("https://github.com/conda-forge/" "miniforge?tab=readme-ov-file#install")); } } settings.setValue("interpreters/firstlaunch", true); } } ConfigurePython::~ConfigurePython() { delete m_action; } QList ConfigurePython::actions() const { return QList() << m_action; } QStringList ConfigurePython::menuPath(QAction*) const { return QStringList() << tr("&Extensions"); } void ConfigurePython::accept() { if (m_dialog == nullptr) return; // Save the settings QSettings settings; settings.setValue("interpreters/python", m_dialog->currentOption()); // check if the dialog has a conda environment selected if (!m_dialog->condaEnvironment().isEmpty()) { settings.setValue("interpreters/condaEnvironment", m_dialog->condaEnvironment()); // get the path to conda QString condaPath = m_dialog->condaPath(); if (!condaPath.isEmpty()) { settings.setValue("interpreters/condaPath", condaPath); } } // TODO: reload the python interpreters } QStringList ConfigurePython::pythonPaths() const { // Check for python interpreter in env var QString pythonInterp = QString::fromLocal8Bit(qgetenv("AVO_PYTHON_INTERPRETER")); if (pythonInterp.isEmpty()) { // Check settings QSettings settings; pythonInterp = settings.value("interpreters/python", QString()).toString(); } // Use compile-time default if still not found. if (pythonInterp.isEmpty()) pythonInterp = QString(pythonInterpreterPath); // get the list from the system path QStringList names; #ifdef Q_OS_WIN names << "python3.exe" << "python.exe"; #else names << "python3" << "python"; #endif QStringList paths = findExecutablePaths(names); // Add the current interpreter to the list // it may be filtered out by the loop below if (!paths.contains(pythonInterp)) { paths.prepend(pythonInterp); } // check to make sure each of the items are valid or remove them // (i.e., the python should return a version flag) QStringList validPaths; QStringList arguments; arguments << "-V"; foreach (const QString& path, paths) { QFileInfo info(path); if (info.exists() && info.isExecutable()) { // try to run it to get the version QProcess process; process.start(path, arguments); if (process.waitForFinished()) { QString output = process.readAllStandardOutput(); // should be like Python 3.10.14 if (output.startsWith("Python")) { QString version = output.split(" ").at(1).simplified(); // make sure it's at least Python 3 // in the future, we can ensure particular releases if (version.startsWith("3")) validPaths << path; } } // if we didn't get results, it's not valid } } return validPaths; } void ConfigurePython::showDialog() { if (m_dialog == nullptr) { m_dialog = new ConfigurePythonDialog(qobject_cast(parent())); connect(m_dialog, SIGNAL(accepted()), SLOT(accept())); } // Populate the dialog with the current settings QStringList pythonInterps = pythonPaths(); m_dialog->setOptions(pythonInterps); m_dialog->show(); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/configurepython/configurepython.h000066400000000000000000000024151474375334400270140ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_CONFIGUREPYTHON_H #define AVOGADRO_QTPLUGINS_CONFIGUREPYTHON_H #include namespace Avogadro { namespace QtPlugins { class ConfigurePythonDialog; /** * @brief Configure Python environment through a dialog. */ class ConfigurePython : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit ConfigurePython(QObject* parent_ = nullptr); ~ConfigurePython() override; QString name() const override { return tr("ConfigurePython"); } QString description() const override { return tr("Configure Python environments."); } QList actions() const override; QStringList menuPath(QAction*) const override; QStringList pythonPaths() const; void setMolecule(QtGui::Molecule*) override {} private slots: void showDialog(); void accept(); private: QAction* m_action; ConfigurePythonDialog* m_dialog; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_CONFIGUREPYTHON_H avogadrolibs-1.100.0/avogadro/qtplugins/configurepython/configurepythondialog.cpp000066400000000000000000000202141474375334400305240ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "configurepythondialog.h" #include "condadialog.h" #include "ui_configurepythondialog.h" #include #include #include #include #include using Avogadro::QtGui::Utilities::findExecutablePaths; namespace Avogadro::QtPlugins { ConfigurePythonDialog::ConfigurePythonDialog(QWidget* aParent) : QDialog(aParent), m_ui(new Ui::ConfigurePythonDialog), m_condaUi(nullptr) { m_ui->setupUi(this); m_ui->browseWidget->hide(); connect(m_ui->environmentCombo, SIGNAL(currentIndexChanged(int)), SLOT(optionChanged(int))); connect(m_ui->buttonBox, SIGNAL(accepted()), SLOT(accept())); connect(m_ui->buttonBox, SIGNAL(rejected()), SLOT(reject())); // look for conda environments QProcess condaProcess; QSettings settings; QString condaPath = settings.value("interpreters/condaPath", "conda").toString(); // check if conda is executable if (!QFileInfo(condaPath).isExecutable()) { // see if we can find any related executables in the path QStringList names; names << "micromamba" << "mamba" << "conda"; #ifdef Q_OS_WIN names << "micromamba.exe" << "mamba.exe" << "conda.exe"; #endif QStringList paths = findExecutablePaths(names); if (!paths.isEmpty()) { condaPath = paths.first(); } else return; // nothing more to do } // set the path to conda settings.setValue("interpreters/condaPath", condaPath); // get the list of environments condaProcess.start(condaPath, QStringList() << "env" << "list"); if (condaProcess.waitForFinished()) { QString output = condaProcess.readAllStandardOutput(); QStringList lines = output.split("\n"); foreach (const QString& line, lines) { if (line.startsWith("#")) continue; QStringList parts = line.split(" "); if (parts.size() > 1) m_condaEnvironments << parts.at(0); } } if (m_condaEnvironments.size() < 2) { // no environment or only the base found setupCondaEnvironment(); } } ConfigurePythonDialog::~ConfigurePythonDialog() { delete m_ui; } void ConfigurePythonDialog::setupCondaEnvironment() { // suggest the user create a new environment through a dialog if (m_condaUi == nullptr) { m_condaUi = new CondaDialog(qobject_cast(parent())); } int choice = m_condaUi->exec(); if (choice == QDialog::Rejected) return; QString newEnvironment = m_condaUi->environmentName(); if (newEnvironment.isEmpty()) return; // create the environment QProcess condaProcess; QSettings settings; QString condaPath = settings.value("interpreters/condaPath", "conda").toString(); // check if conda is executable if (!QFileInfo(condaPath).isExecutable()) { // see if we can find any related executables in the path QStringList names; names << "micromamba" << "mamba" << "conda"; #ifdef Q_OS_WIN names << "micromamba.exe" << "mamba.exe" << "conda.exe"; #endif QStringList paths = findExecutablePaths(names); if (!paths.isEmpty()) { condaPath = paths.first(); } else return; // nothing more to do } QStringList arguments; arguments << "create" << "-n" << newEnvironment << "--clone" << "base"; condaProcess.start(condaPath, arguments); if (condaProcess.waitForFinished()) { QString output = condaProcess.readAllStandardOutput(); if (output.contains("done")) { // environment created m_condaEnvironments << newEnvironment; settings.setValue("interpreters/condaEnvironment", newEnvironment); } } } QString ConfigurePythonDialog::condaPath() const { QSettings settings; QString path = settings.value("interpreters/condaPath").toString(); return path; } QString ConfigurePythonDialog::condaEnvironment() const { QSettings settings; QString environment = settings.value("interpreters/condaEnvironment").toString(); return environment; } void ConfigurePythonDialog::setOptions(const QStringList& options) { m_ui->environmentCombo->clear(); // check the current choice from QSettings QSettings settings; QString currentInterpreter = settings.value("interpreters/python", QString()).toString(); QString currentConda = settings.value("interpreters/condaEnvironment", QString()).toString(); int index = -1; // add all conda environments foreach (const QString& environment, m_condaEnvironments) { if (environment.isEmpty()) continue; // shouldn't happen, but just in case m_ui->environmentCombo->addItem(QString("%1 (conda)").arg(environment)); if (environment == currentConda) index = m_ui->environmentCombo->count() - 1; } // get the Python version from each interpreter QStringList versions, arguments; QProcess process; arguments << "-V"; foreach (const QString& option, options) { process.start(option, arguments); if (process.waitForFinished()) { QString output = process.readAllStandardOutput(); if (output.startsWith("Python")) { versions << output.split(" ").at(1).simplified(); } else { versions << tr("Unknown"); } } else { versions << tr("Unknown"); } } for (int i = 0; i < options.size(); ++i) { m_ui->environmentCombo->addItem( QString("%1 (%2)").arg(options.at(i)).arg(versions.at(i))); // if the conda environment isn't the current, check the python interpreter if (options.at(i) == currentInterpreter && index == -1) index = m_ui->environmentCombo->count() - 1; } m_ui->environmentCombo->addItem(tr("Other…")); // set the current choice if (index >= 0) m_ui->environmentCombo->setCurrentIndex(index); m_ui->browseWidget->hide(); } void ConfigurePythonDialog::optionChanged(int index) { if (index == m_ui->environmentCombo->count() - 1) { // "Other…" selected m_ui->browseWidget->setEnabled(true); m_ui->browseWidget->show(); } else { m_ui->browseWidget->setEnabled(false); m_ui->browseWidget->hide(); } } QString ConfigurePythonDialog::currentOption() const { if (m_ui->environmentCombo->currentIndex() == m_ui->environmentCombo->count() - 1) return m_ui->browseWidget->fileName(); QString path = m_ui->environmentCombo->currentText(); // check if this is a conda choice int index = path.indexOf(" (conda)"); if (index >= 0) { // get the environment name QString environment = path.left(index); QSettings settings; settings.setValue("interpreters/condaEnvironment", environment); // activate the environment and get the path to the python interpreter QProcess condaProcess; QString condaPath = settings.value("interpreters/condaPath", "conda").toString(); // check if conda is executable if (!QFileInfo(condaPath).isExecutable()) return QString(); condaProcess.start(condaPath, QStringList() << "run" << "-n" << environment << "which" << "python"); if (condaProcess.waitForFinished()) { QString output = condaProcess.readAllStandardOutput(); qDebug() << " output: " << output << "\n"; if (output.contains("python")) { // remove the newline output.remove("\n"); return output; } } } // remove the Python version to get the path index = path.indexOf(" ("); if (index >= 0) return path.left(index); return path; } void ConfigurePythonDialog::reject() { QDialog::reject(); emit rejected(); } void ConfigurePythonDialog::accept() { QDialog::accept(); emit accepted(); } void ConfigurePythonDialog::setCurrentOption(const QString& option) { int index = m_ui->environmentCombo->findText(option); if (index >= 0) m_ui->environmentCombo->setCurrentIndex(index); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/configurepython/configurepythondialog.h000066400000000000000000000025211474375334400301720ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_CONFIGUREPYTHONDIALOG_H #define AVOGADRO_QTPLUGINS_CONFIGUREPYTHONDIALOG_H #include namespace Avogadro { namespace QtPlugins { class CondaDialog; namespace Ui { class ConfigurePythonDialog; } /** * @brief Dialog to prompt a format and descriptor string. */ class ConfigurePythonDialog : public QDialog { Q_OBJECT public: explicit ConfigurePythonDialog(QWidget* parent = nullptr); ~ConfigurePythonDialog() override; void setupCondaEnvironment(); void setOptions(const QStringList& options); void setCurrentOption(const QString& option); QString currentOption() const; QString condaPath() const; QString condaEnvironment() const; signals: void accepted(); void rejected(); protected slots: void optionChanged(int index); void accept() override; void reject() override; private: Ui::ConfigurePythonDialog* m_ui; CondaDialog* m_condaUi; QStringList m_condaEnvironments; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_CONFIGUREPYTHONDIALOG_H avogadrolibs-1.100.0/avogadro/qtplugins/configurepython/configurepythondialog.ui000066400000000000000000000064721474375334400303710ustar00rootroot00000000000000 Avogadro::QtPlugins::ConfigurePythonDialog 0 0 376 166 0 0 Python Settings… Select the Python version used to run scripts. Avogadro must be restarted for any changes to take effect. Environment: Qt::Horizontal 40 20 false Qt::Vertical 20 0 Qt::Horizontal QDialogButtonBox::Cancel|QDialogButtonBox::Ok QtGui::FileBrowseWidget QWidget
avogadro/qtgui/filebrowsewidget.h
1 buttonBox accepted() Avogadro::QtPlugins::ConfigurePythonDialog accept() 248 254 157 274 buttonBox rejected() Avogadro::QtPlugins::ConfigurePythonDialog reject() 316 260 286 274 avogadrolibs-1.100.0/avogadro/qtplugins/coordinateeditor/000077500000000000000000000000001474375334400235315ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/coordinateeditor/CMakeLists.txt000066400000000000000000000003741474375334400262750ustar00rootroot00000000000000avogadro_plugin(CoordinateEditor "Show a window with a free-text coordinate editor." ExtensionPlugin coordinateeditor.h CoordinateEditor "coordinateeditor.cpp;coordinateeditordialog.cpp;coordinatetextedit.cpp" "coordinateeditordialog.ui" ) avogadrolibs-1.100.0/avogadro/qtplugins/coordinateeditor/coordinateeditor.cpp000066400000000000000000000030261474375334400275740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "coordinateeditor.h" #include "coordinateeditordialog.h" #include namespace Avogadro::QtPlugins { CoordinateEditor::CoordinateEditor(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_dialog(nullptr), m_molecule(nullptr), m_action(new QAction(tr("Atomic &Coordinate Editor…"), this)) { m_action->setProperty("menu priority", 900); connect(m_action, SIGNAL(triggered()), SLOT(triggered())); } CoordinateEditor::~CoordinateEditor() { } QList CoordinateEditor::actions() const { return QList() << m_action; } QStringList CoordinateEditor::menuPath(QAction*) const { return QStringList() << tr("&Build"); } void CoordinateEditor::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; if (m_dialog) m_dialog->setMolecule(mol); } void CoordinateEditor::triggered() { if (!m_dialog) { m_dialog = new CoordinateEditorDialog(qobject_cast(parent())); m_dialog->setMolecule(m_molecule); connect(m_dialog, SIGNAL(pastedMolecule()), SLOT(pastedMolecule())); } m_dialog->show(); } void CoordinateEditor::pastedMolecule() { // We went from no atoms to something, don't edit by default // PR#394 requestActiveTool("Navigator"); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/coordinateeditor/coordinateeditor.h000066400000000000000000000026241474375334400272440ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_COORDINATEEDITOR_H #define AVOGADRO_QTPLUGINS_COORDINATEEDITOR_H #include #include namespace Avogadro { namespace QtPlugins { class CoordinateEditorDialog; /** * @brief CoordinateEditor implements the plugin interface for the coordinate * editor extension. */ class CoordinateEditor : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit CoordinateEditor(QObject* parent_ = nullptr); ~CoordinateEditor() override; QString name() const override { return tr("Coordinate editor"); } QString description() const override { return tr("Text editing of atomic coordinates."); } QList actions() const override; QStringList menuPath(QAction* action) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; private slots: void triggered(); void pastedMolecule(); private: CoordinateEditorDialog* m_dialog; QtGui::Molecule* m_molecule; QAction* m_action; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_COORDINATEEDITOR_H avogadrolibs-1.100.0/avogadro/qtplugins/coordinateeditor/coordinateeditordialog.cpp000066400000000000000000000650771474375334400307720ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "coordinateeditordialog.h" #include "coordinatetextedit.h" #include "ui_coordinateeditordialog.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include // Define this to print out details of the format detection algorithm. #undef ENABLE_FORMAT_DEBUG #ifdef ENABLE_FORMAT_DEBUG #define FORMAT_DEBUG(x) x #else // ENABLE_FORMAT_DEBUG #define FORMAT_DEBUG(x) #endif // ENABLE_FORMAT_DEBUG using Avogadro::Vector3; using Avogadro::Core::Elements; using Avogadro::QtGui::Molecule; namespace { // Ensure a cross-platform monospaced font #if defined(Q_OS_WIN) || defined(Q_OS_OSX) static const QString EDITOR_FONT = "Courier"; #else // Linux and other OSes static const QString EDITOR_FONT = "Monospace"; #endif // Various integer constants. enum { CustomPreset = 0 }; // Distance unit indices -- keep in sync with the .ui file. enum DistanceUnitIndex { Angstrom = 0, Bohr }; // Types of tokens, used while parsing. enum TokenType { Integer = 0, Double, String }; // Some frequently used regexes: static const QRegularExpression TOKEN_SEPARATOR("[\\s,;]+"); static const QRegularExpression VALID_TOKEN("[^\\s,;]+"); // These two need to be exact static const QRegularExpression INT_CHECKER( QRegularExpression::anchoredPattern("(:?[+-])?\\d+")); static const QRegularExpression DOUBLE_CHECKER( QRegularExpression::anchoredPattern( "(:?[+-])?" // Leading sign "(:?" // Must match one of the following: "\\d*\\.\\d*" // Fractional part "|" // or "\\d+[Ee](:?[+-])?\\d+" // Exponential part "|" // or "\\d*\\.\\d*" // Fractional part and "[Ee](:?[+-])?\\d+" // Exponential part ")")); struct AtomStruct { unsigned char atomicNumber; Vector3 pos; }; } // namespace namespace Avogadro::QtPlugins { // Storage class used to hold state while validating input. class CoordinateEditorDialog::ValidateStorage { public: ValidateStorage() : isValidating(false), restartWhenFinished(false), collectAtoms(false), convertDistance(false), latticePositions(false), distanceConversion(1.f) { } bool isValidating; bool restartWhenFinished; bool collectAtoms; bool convertDistance; bool latticePositions; float distanceConversion; // Format specification QString spec; // Text cursors QTextCursor lineCursor; QTextCursor tokenCursor; // Accumulate atom data QVector atoms; }; CoordinateEditorDialog::CoordinateEditorDialog(QWidget* parent_) : QDialog(parent_), m_ui(new Ui::CoordinateEditorDialog), m_molecule(nullptr), m_validate(new ValidateStorage), m_defaultSpec("SZxyz#N") { m_ui->setupUi(this); // Set up text editor m_ui->text->setFont(QFont(EDITOR_FONT, qApp->font().pointSize())); connect(m_ui->text->document(), SIGNAL(modificationChanged(bool)), SLOT(textModified(bool))); // Setup spec edit QRegularExpression specRegExp("[#ZGSLNabcxyz01_]*"); auto* specValidator = new QRegularExpressionValidator(specRegExp, this); m_ui->spec->setValidator(specValidator); connect(m_ui->presets, SIGNAL(currentIndexChanged(int)), SLOT(presetChanged(int))); connect(m_ui->spec, SIGNAL(textChanged(QString)), SLOT(specChanged())); connect(m_ui->spec, SIGNAL(textEdited(QString)), SLOT(specEdited())); connect(m_ui->distanceUnit, SIGNAL(currentIndexChanged(int)), SLOT(updateText())); connect(m_ui->help, SIGNAL(clicked()), SLOT(helpClicked())); connect(m_ui->cut, SIGNAL(clicked()), SLOT(cutClicked())); connect(m_ui->copy, SIGNAL(clicked()), SLOT(copyClicked())); connect(m_ui->paste, SIGNAL(clicked()), SLOT(pasteClicked())); connect(m_ui->revert, SIGNAL(clicked()), SLOT(revertClicked())); connect(m_ui->clear, SIGNAL(clicked()), SLOT(clearClicked())); connect(m_ui->apply, SIGNAL(clicked()), SLOT(applyClicked())); m_ui->cut->setIcon(QIcon::fromTheme("edit-cut")); m_ui->copy->setIcon(QIcon::fromTheme("edit-copy")); m_ui->paste->setIcon(QIcon::fromTheme("edit-paste")); buildPresets(); listenForTextEditChanges(true); } CoordinateEditorDialog::~CoordinateEditorDialog() { delete m_ui; } void CoordinateEditorDialog::setMolecule(QtGui::Molecule* mol) { if (mol != m_molecule) { if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint))); updateText(); } } void CoordinateEditorDialog::moleculeChanged(uint change) { if (static_cast(change) & Molecule::Atoms || static_cast(change) & Molecule::UnitCell) { updateText(); } } void CoordinateEditorDialog::presetChanged(int ind) { QVariant itemData(m_ui->presets->itemData(ind)); bool isCustom(itemData.type() != QVariant::String); // Changing the spec text will update the editor text. m_ui->spec->setText(isCustom ? m_defaultSpec : itemData.toString()); } void CoordinateEditorDialog::specChanged() { // Store the spec if custom preset is selected. if (m_ui->presets->currentIndex() == CustomPreset) m_defaultSpec = m_ui->spec->text(); updateText(); } void CoordinateEditorDialog::specEdited() { // Editing the spec switches to and updates the custom preset. if (m_ui->presets->currentIndex() != CustomPreset) { m_defaultSpec = m_ui->spec->text(); m_ui->presets->setCurrentIndex(CustomPreset); } } void CoordinateEditorDialog::updateText() { if (m_ui->text->document()->isModified()) { int reply = QMessageBox::question( this, tr("Overwrite changes?"), tr("The text document has been modified. Would " "you like to discard your changes and revert " "to the current molecule?"), QMessageBox::Yes | QMessageBox::No, QMessageBox::No); if (reply != QMessageBox::Yes) return; } Core::CoordinateBlockGenerator gen; gen.setMolecule(m_molecule); gen.setSpecification(m_ui->spec->text().toStdString()); switch (m_ui->distanceUnit->currentIndex()) { default: case Angstrom: gen.setDistanceUnit(Core::CoordinateBlockGenerator::Angstrom); break; case Bohr: gen.setDistanceUnit(Core::CoordinateBlockGenerator::Bohr); break; } // Disable markup for the generated text. listenForTextEditChanges(false); m_ui->text->document()->setPlainText( QString::fromStdString(gen.generateCoordinateBlock())); listenForTextEditChanges(true); m_ui->text->document()->setModified(false); } void CoordinateEditorDialog::helpClicked() { // Give the spec lineedit focus and show its tooltip. m_ui->spec->setFocus(Qt::MouseFocusReason); QPoint point(m_ui->spec->pos() + pos()); point.setY(point.y() + m_ui->spec->frameGeometry().height() + 5); QToolTip::showText(point, m_ui->spec->toolTip(), m_ui->spec); } void CoordinateEditorDialog::validateInput() { if (m_validate->isValidating) { m_validate->restartWhenFinished = true; return; } // Reset formatting. Stop listening for changes since format changes will // retrigger validation. listenForTextEditChanges(false); m_ui->text->resetMarks(); listenForTextEditChanges(true); // No text, nothing to do! Trim the plain text - this fixes a crashing // bug if the user accidentally presses return in a blank document. if (m_ui->text->document()->toPlainText().trimmed().isEmpty()) { emit validationFinished(true); return; } // Try to detect the input format QString inputFormat(detectInputFormat()); if (inputFormat.isEmpty()) { emit validationFinished(false); return; } // Initialize m_validate->latticePositions = inputFormat.contains('a'); m_validate->isValidating = true; m_validate->spec = inputFormat; m_validate->lineCursor = QTextCursor(m_ui->text->document()); // Start the worker validateInputWorker(); } void CoordinateEditorDialog::validateInputWorker() { if (!m_validate->isValidating) return; // Disable revalidation due to formatting changes. listenForTextEditChanges(false); // Setup some aliases to keep code concise: const QString& spec(m_validate->spec); QTextCursor& lineCursor(m_validate->lineCursor); QTextCursor& tokenCursor(m_validate->tokenCursor); QTextDocument* doc(m_ui->text->document()); QString::const_iterator begin(spec.constBegin()); QString::const_iterator end(spec.constEnd()); QString::const_iterator iter; // Only do a few lines at a time, then return control to the event loop. int lineThisIteration = 0; while (++lineThisIteration <= 10 && !lineCursor.atEnd()) { // Place the entire line in the line cursor's selection. lineCursor.movePosition(QTextCursor::StartOfLine, QTextCursor::MoveAnchor); lineCursor.movePosition(QTextCursor::EndOfLine, QTextCursor::KeepAnchor); // Skip empty lines - this is nice if the user accidentally left some // empty lines at the end of the input if (lineCursor.selectedText().trimmed().isEmpty()) { // So that we don't have an infinite loop... if (!lineCursor.atEnd()) { lineCursor.movePosition(QTextCursor::Down); lineCursor.movePosition(QTextCursor::StartOfLine); } continue; } // Start the token cursor at the beginning of the current line. tokenCursor.setPosition(lineCursor.anchor(), QTextCursor::MoveAnchor); // This is used when applying changes to store the atom specifications. AtomStruct atom; // Iterate through spec characters for (iter = begin; iter != end; ++iter) { // Place the next valid token in tokenCursor's selection: tokenCursor = doc->find(VALID_TOKEN, tokenCursor); // If the token cursor has moved off of the current line, mark the entire // line as invalid and move on. if (tokenCursor.isNull() || tokenCursor.position() > lineCursor.position()) { m_ui->text->markInvalid(lineCursor, tr("Too few entries on line.")); break; } switch (iter->toLatin1()) { case '?': // Nothing to validate other than that this is a valid token. break; case 'N': { // Validate name: QString cleanToken(tokenCursor.selectedText().toLower()); if (!cleanToken.isEmpty()) cleanToken.replace(0, 1, cleanToken[0].toUpper()); std::string tokenStd(cleanToken.toStdString()); atom.atomicNumber = Elements::atomicNumberFromName(tokenStd); if (atom.atomicNumber == Avogadro::InvalidElement) m_ui->text->markInvalid(tokenCursor, tr("Invalid element name.")); else m_ui->text->markValid(tokenCursor, tr("Element name.")); break; } case 'S': { // Validate symbol: QString cleanToken(tokenCursor.selectedText().toLower()); if (!cleanToken.isEmpty()) cleanToken.replace(0, 1, cleanToken[0].toUpper()); std::string tokenStd(cleanToken.toStdString()); atom.atomicNumber = Elements::atomicNumberFromSymbol(tokenStd); if (atom.atomicNumber == Avogadro::InvalidElement) m_ui->text->markInvalid(tokenCursor, tr("Invalid element symbol.")); else m_ui->text->markValid(tokenCursor, tr("Element symbol.")); break; } case 'L': { // Validate label (symbol + number) QString cleanToken(tokenCursor.selectedText().toLower()); if (!cleanToken.isEmpty()) cleanToken.replace(0, 1, cleanToken[0].toUpper()); // Split the label into symbol and number QRegularExpression labelSplitter("([A-Z][a-z]?)(\\d+)"); QRegularExpressionMatch match = labelSplitter.match(cleanToken); if (match.hasMatch()) { m_ui->text->markInvalid(tokenCursor, tr("Invalid atom label.")); break; } // check the symbol std::string tokenStd(match.captured(1).toStdString()); atom.atomicNumber = Elements::atomicNumberFromSymbol(tokenStd); if (atom.atomicNumber == Avogadro::InvalidElement) m_ui->text->markInvalid(tokenCursor, tr("Invalid element symbol.")); else m_ui->text->markValid(tokenCursor, tr("Element symbol.")); break; } case '#': { // Validate integer: bool isInt; int index = tokenCursor.selectedText().toInt(&isInt); if (!isInt) m_ui->text->markInvalid(tokenCursor, tr("Invalid atomic index.")); else m_ui->text->markValid(tokenCursor, tr("Atomic index.")); break; } case 'Z': { // Validate integer: bool isInt; atom.atomicNumber = static_cast( tokenCursor.selectedText().toInt(&isInt)); if (!isInt) m_ui->text->markInvalid(tokenCursor, tr("Invalid atomic number.")); else m_ui->text->markValid(tokenCursor, tr("Atomic number.")); break; } case 'x': { // Validate real: bool isReal; atom.pos.x() = tokenCursor.selectedText().toDouble(&isReal); if (!isReal) m_ui->text->markInvalid(tokenCursor, tr("Invalid coordinate.")); else m_ui->text->markValid(tokenCursor, tr("X coordinate.")); break; } case 'y': { // Validate real: bool isReal; atom.pos.y() = tokenCursor.selectedText().toDouble(&isReal); if (!isReal) m_ui->text->markInvalid(tokenCursor, tr("Invalid coordinate.")); else m_ui->text->markValid(tokenCursor, tr("Y coordinate.")); break; } case 'z': { // Validate real: bool isReal; atom.pos.z() = tokenCursor.selectedText().toDouble(&isReal); if (!isReal) m_ui->text->markInvalid(tokenCursor, tr("Invalid coordinate.")); else m_ui->text->markValid(tokenCursor, tr("Z coordinate.")); break; } case 'a': { // Validate real: bool isReal; atom.pos.x() = tokenCursor.selectedText().toDouble(&isReal); if (!isReal) m_ui->text->markInvalid(tokenCursor, tr("Invalid coordinate.")); else m_ui->text->markValid(tokenCursor, tr("'a' lattice coordinate.")); break; } case 'b': { // Validate real: bool isReal; atom.pos.y() = tokenCursor.selectedText().toDouble(&isReal); if (!isReal) m_ui->text->markInvalid(tokenCursor, tr("Invalid coordinate.")); else m_ui->text->markValid(tokenCursor, tr("'b' lattice coordinate.")); break; } case 'c': { // Validate real: bool isReal; atom.pos.z() = tokenCursor.selectedText().toDouble(&isReal); if (!isReal) m_ui->text->markInvalid(tokenCursor, tr("Invalid coordinate.")); else m_ui->text->markValid(tokenCursor, tr("'c' lattice coordinate.")); break; } default: qWarning() << "Unhandled character in detected spec: " << *iter; break; } } // Store this atom info if collecting. if (m_validate->collectAtoms) { if (m_validate->convertDistance && !m_validate->latticePositions) atom.pos *= m_validate->distanceConversion; m_validate->atoms << atom; } // Move down to the next line if we are not at the end. Moving to the // start of the line after moving down is necessary in case moving down // puts us at the end of the document. if (!lineCursor.atEnd()) { lineCursor.movePosition(QTextCursor::Down); lineCursor.movePosition(QTextCursor::StartOfLine); } } // Reenable validation. listenForTextEditChanges(true); // If we're not at the end, post this method back into the event loop. if (!lineCursor.atEnd()) { QTimer::singleShot(0, this, SLOT(validateInputWorker())); } else { // Otherwise emit the finished signal. emit validationFinished(!m_ui->text->hasInvalidMarks()); m_validate->isValidating = false; // If a validation request came in while already validating, revalidate. if (m_validate->restartWhenFinished) { m_validate->restartWhenFinished = false; validateInput(); } } } void CoordinateEditorDialog::applyClicked() { if (!m_molecule) return; // If we're in the middle of a validation, abort it if (m_validate->isValidating) { m_validate->isValidating = false; qApp->processEvents(); } m_validate->collectAtoms = true; m_validate->atoms.clear(); switch (m_ui->distanceUnit->currentIndex()) { case Bohr: m_validate->convertDistance = true; m_validate->distanceConversion = BOHR_TO_ANGSTROM_F; break; default: m_validate->convertDistance = false; m_validate->distanceConversion = 1.f; break; } connect(this, SIGNAL(validationFinished(bool)), SLOT(applyFinish(bool))); validateInput(); } void CoordinateEditorDialog::applyFinish(bool valid) { // Clean up m_validate->collectAtoms = false; QVector atoms(m_validate->atoms); m_validate->atoms.clear(); disconnect(this, SIGNAL(validationFinished(bool)), this, SLOT(applyFinish(bool))); if (!valid) { QMessageBox::critical(this, tr("Error applying geometry"), tr("Could not parse geometry specification. Fix the " "highlighted errors and try again.\n\n" "(Hint: Hold the mouse over red text for a " "description of the error.)")); return; } bool hadAtoms(m_molecule->atomCount() > 0); bool hadBonds(m_molecule->bondCount() > 0); // Create a new molecule so we can eventually store both in the undo command Molecule newMolecule = *m_molecule; newMolecule.clearAtoms(); foreach (const AtomStruct& atom, atoms) newMolecule.addAtom(atom.atomicNumber).setPosition3d(atom.pos); if (m_validate->latticePositions) { Core::CrystalTools::setFractionalCoordinates(newMolecule, newMolecule.atomPositions3d()); } else { newMolecule.perceiveBondsSimple(); newMolecule.perceiveBondOrders(); } m_ui->text->document()->setModified(false); Molecule::MoleculeChanges change = Molecule::NoChange; if (hadAtoms) change |= Molecule::Atoms | Molecule::Removed; if (hadBonds) change |= Molecule::Bonds | Molecule::Removed; if (newMolecule.atomCount() > 0) change |= Molecule::Atoms | Molecule::Added; if (newMolecule.bondCount() > 0) change |= Molecule::Bonds | Molecule::Added; QString undoText = tr("Edit Atomic Coordinates"); m_molecule->undoMolecule()->modifyMolecule(newMolecule, change, undoText); // We went from no atoms to something, don't edit by default // PR#394 if (!hadAtoms) emit pastedMolecule(); } void CoordinateEditorDialog::textModified(bool modified) { m_ui->apply->setEnabled(modified); m_ui->revert->setEnabled(modified); } void CoordinateEditorDialog::buildPresets() { // Custom must be first: m_ui->presets->addItem(tr("Custom"), QVariant()); m_ui->presets->addItem(tr("XYZ format (symbols)"), QVariant("Sxyz")); m_ui->presets->addItem(tr("XYZ format (names)"), QVariant("Nxyz")); m_ui->presets->addItem(tr("XYZ format (atomic numbers)"), QVariant("Zxyz")); m_ui->presets->addItem(tr("Lattice coordinates (symbols)"), QVariant("Sabc")); m_ui->presets->addItem(tr("Lattice coordinates (names)"), QVariant("Nabc")); m_ui->presets->addItem(tr("Lattice coordinates (atomic numbers)"), QVariant("Zabc")); m_ui->presets->addItem(tr("GAMESS format (symbols)"), QVariant("SGxyz")); m_ui->presets->addItem(tr("GAMESS format (names)"), QVariant("NGxyz")); m_ui->presets->addItem(tr("Turbomole format"), QVariant("xyzS")); // show Sxyz initially m_ui->presets->setCurrentIndex(1); } void CoordinateEditorDialog::listenForTextEditChanges(bool enable) { if (enable) connect(m_ui->text, SIGNAL(textChanged()), this, SLOT(validateInput())); else disconnect(m_ui->text, SIGNAL(textChanged()), this, SLOT(validateInput())); } QString CoordinateEditorDialog::detectInputFormat() const { if (m_ui->text->document()->isEmpty()) return QString(); if (!m_ui->spec->text().isEmpty()) return m_ui->spec->text(); // Extract the first non-empty line of text from the document. QTextCursor cur(m_ui->text->document()); QString sample; while (sample.isEmpty()) { cur.movePosition(QTextCursor::StartOfLine, QTextCursor::MoveAnchor); cur.movePosition(QTextCursor::EndOfLine, QTextCursor::KeepAnchor); sample = cur.selectedText(); cur.movePosition(QTextCursor::Down); } FORMAT_DEBUG(qDebug() << "\n\nExamining sample:" << sample;) // Split the string into tokens, and identify the type of each. QList tokens(sample.split(TOKEN_SEPARATOR, Qt::SkipEmptyParts)); QList tokenTypes; tokenTypes.reserve(tokens.size()); size_t tokenTypeCounts[3] = { 0, 0, 0 }; foreach (const QString& token, tokens) { TokenType tokenType = String; if (INT_CHECKER.match(token).hasMatch()) tokenType = Integer; else if (DOUBLE_CHECKER.match(token).hasMatch()) tokenType = Double; ++tokenTypeCounts[tokenType]; tokenTypes << tokenType; } FORMAT_DEBUG(qDebug() << "\nDetected types:"; qDebug() << tokens; qDebug() << tokenTypes;); // If less than three doubles are present, promote some integers to doubles. if (tokenTypeCounts[Double] < 3 && tokenTypeCounts[Double] + tokenTypeCounts[Integer] >= 3) { // If numInts + numDoubles is greater than 3, leave the first integer as is, // we'll assume it's the atomic number. bool skipNextInt(tokenTypeCounts[Integer] + tokenTypeCounts[Double] > 3); size_t intsToPromote = 3 - tokenTypeCounts[Double]; QMutableListIterator tokenTypeIter(tokenTypes); while (intsToPromote > 0 && tokenTypeIter.hasNext()) { if (tokenTypeIter.next() == Integer) { if (!skipNextInt) { tokenTypeIter.setValue(Double); --intsToPromote; --tokenTypeCounts[Integer]; ++tokenTypeCounts[Double]; } else { skipNextInt = false; } } } } FORMAT_DEBUG(qDebug() << "\nAfter promotion:"; qDebug() << tokens; qDebug() << tokenTypes;) // If there are no strings or integers, bail out -- we can't determine the // atom types. Likewise if there are less than 3 doubles, the coordinates // are incomplete. if ((tokenTypeCounts[Integer] == 0 && tokenTypeCounts[String] == 0) || tokenTypeCounts[Double] < 3) { return ""; } // Start assigning meaning to the values: QString resultSpec; bool atomTypeSet(false); int numCoordsSet(0); const int numberOfElements(static_cast(Core::Elements::elementCount())); for (int i = 0; i < tokens.size() && (!atomTypeSet || numCoordsSet < 3); ++i) { QChar current = '?'; switch (tokenTypes[i]) { case Integer: if (!atomTypeSet) { int tokenAsInt = tokens[i].toInt(); if (tokenAsInt >= 0 && tokenAsInt <= numberOfElements) { current = 'Z'; atomTypeSet = true; } } break; case Double: switch (numCoordsSet) { case 0: current = 'x'; ++numCoordsSet; break; case 1: current = 'y'; ++numCoordsSet; break; case 2: current = 'z'; ++numCoordsSet; break; default: break; } break; case String: if (!atomTypeSet) { QString cleanToken(tokens[i].toLower()); if (!cleanToken.isEmpty()) cleanToken.replace(0, 1, cleanToken[0].toUpper()); if (cleanToken.size() <= 3) { if (Elements::atomicNumberFromSymbol(cleanToken.toStdString()) != Avogadro::InvalidElement) { current = 'S'; atomTypeSet = true; } } else { if (Elements::atomicNumberFromName(cleanToken.toStdString()) != Avogadro::InvalidElement) { current = 'N'; atomTypeSet = true; } } } break; } FORMAT_DEBUG(qDebug() << current << tokens[i];) resultSpec += current; } // Check the current specification -- if a|b|c appears before x|y|z, assume // that the specified coordinates are lattice coords static QRegularExpression cartesianSniffer("x|y|z"); static QRegularExpression fractionalSniffer("a|b|c"); const QString currentSpec(m_ui->spec->text()); int cartesianIndex = currentSpec.indexOf(cartesianSniffer); int fractionalIndex = currentSpec.indexOf(fractionalSniffer); if (fractionalIndex != -1 && (cartesianIndex == -1 || fractionalIndex < cartesianIndex)) { resultSpec.replace('x', 'a'); resultSpec.replace('y', 'b'); resultSpec.replace('z', 'c'); FORMAT_DEBUG(qDebug() << "Interpreting positions as lattice coordinates.";) } FORMAT_DEBUG(qDebug() << "Detected format:" << resultSpec); return (!atomTypeSet || numCoordsSet < 3) ? QString() : resultSpec; } void CoordinateEditorDialog::cutClicked() { copyClicked(); clearClicked(); } void CoordinateEditorDialog::copyClicked() { qApp->clipboard()->setText(m_ui->text->document()->toPlainText()); } void CoordinateEditorDialog::pasteClicked() { const QMimeData* mimeData = qApp->clipboard()->mimeData(); m_ui->text->document()->setPlainText( (mimeData && mimeData->hasText()) ? mimeData->text() : ""); } void CoordinateEditorDialog::revertClicked() { updateText(); } void CoordinateEditorDialog::clearClicked() { m_ui->text->document()->clear(); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/coordinateeditor/coordinateeditordialog.h000066400000000000000000000035261474375334400304260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_COORDINATEEDITORDIALOG_H #define AVOGADRO_QTPLUGINS_COORDINATEEDITORDIALOG_H #include namespace Avogadro { namespace QtGui { class Molecule; } namespace QtPlugins { namespace Ui { class CoordinateEditorDialog; } /** * @brief The CoordinateEditorDialog class implements a free-text coordinate * editor. */ class CoordinateEditorDialog : public QDialog { Q_OBJECT public: explicit CoordinateEditorDialog(QWidget* parent_ = nullptr); ~CoordinateEditorDialog() override; void setMolecule(QtGui::Molecule* mol); signals: void validationFinished(bool valid); void pastedMolecule(); private slots: void moleculeChanged(uint); void presetChanged(int); void specChanged(); void specEdited(); void updateText(); void helpClicked(); void validateInput(); void validateInputWorker(); void cutClicked(); void copyClicked(); void pasteClicked(); void revertClicked(); void clearClicked(); void applyClicked(); void applyFinish(bool valid); void textModified(bool modified); private: void buildPresets(); // Enable/disable input validation when the text edit is modified. void listenForTextEditChanges(bool enable); QString detectInputFormat() const; Ui::CoordinateEditorDialog* m_ui; QtGui::Molecule* m_molecule; // State storage for validateInput methods. PIMPL'd for organization. class ValidateStorage; ValidateStorage* m_validate; QString m_defaultSpec; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_COORDINATEEDITORDIALOG_H avogadrolibs-1.100.0/avogadro/qtplugins/coordinateeditor/coordinateeditordialog.ui000066400000000000000000000150211474375334400306050ustar00rootroot00000000000000 Avogadro::QtPlugins::CoordinateEditorDialog 0 0 500 400 Coordinate Editor Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter Preset: presets Distance Unit: distanceUnit Angstrom Bohr Format: spec <html><head/><body><p>Specification of format. Each character indicates a value to write per atom:</p><p><span style=" font-weight:600;">#</span> - Atom index (1, 2, ..., numAtoms)<br/><span style=" font-weight:600;">Z</span> - Atomic number (e.g. &quot;6&quot; for carbon)<br/><span style=" font-weight:600;">G</span> - GAMESS-style atomic number (e.g. &quot;6.0&quot; for carbon)<br/><span style=" font-weight:600;">N</span> - Element name (e.g. &quot;Carbon&quot;)<br/><span style=" font-weight:600;">S</span> - Element symbol (e.g. &quot;C&quot; for carbon)<br/><span style=" font-weight:700;">L</span> - Atom label (e.g., &quot;C2&quot; for second carbon atom, &quot;H1&quot; for first hydrogen) <br/><span style=" font-weight:600;">x</span> - X position coordinate<br/><span style=" font-weight:600;">y</span> - Y position coordinate<br/><span style=" font-weight:600;">z</span> - Z position coordinate<br/><span style=" font-weight:600;">a</span> - 'a' lattice coordinate (crystals only)<br/><span style=" font-weight:600;">b</span> - 'b' lattice coordinate (crystals only)<br/><span style=" font-weight:600;">c</span> - 'c' lattice coordinate (crystals only)<br/><span style=" font-weight:600;">_</span> - A literal space (&quot; &quot;), useful for alignment<br/><span style=" font-weight:600;">0</span> - A literal 0 (&quot;0&quot;), useful for optimization flags<br/><span style=" font-weight:600;">1</span> - A literal 1 (&quot;1&quot;), useful for optimization flags<br/></p></body></html> Help… QTextEdit::NoWrap Cut Copy Paste Qt::Horizontal 40 20 Revert Clear Apply Avogadro::QtPlugins::CoordinateTextEdit QTextEdit
coordinatetextedit.h
 presets spec help distanceUnit text cut copy paste revert clear apply avogadrolibs-1.100.0/avogadro/qtplugins/coordinateeditor/coordinatetextedit.cpp000066400000000000000000000052201474375334400301360ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "coordinatetextedit.h" #include #include #include #include #include namespace Avogadro::QtPlugins { CoordinateTextEdit::CoordinateTextEdit(QWidget* p) : QTextEdit(p), m_hasInvalidMarks(false) { setMouseTracking(true); m_unmarkedFormat.setUnderlineStyle(QTextCharFormat::NoUnderline); m_unmarkedFormat.setForeground(qApp->palette().color(QPalette::WindowText)); m_unmarkedFormat.setBackground(qApp->palette().color(QPalette::Base)); m_invalidFormat.setUnderlineStyle(QTextCharFormat::SpellCheckUnderline); m_invalidFormat.setForeground(Qt::darkRed); m_invalidFormat.setBackground(Qt::lightGray); m_validFormat.setUnderlineStyle(QTextCharFormat::NoUnderline); m_validFormat.setForeground(Qt::darkGreen); } void CoordinateTextEdit::resetMarks() { m_hasInvalidMarks = false; m_marks.clear(); if (!document()->isEmpty()) { QTextCursor cur(document()); cur.movePosition(QTextCursor::End, QTextCursor::KeepAnchor); cur.mergeCharFormat(m_unmarkedFormat); } } void CoordinateTextEdit::markInvalid(QTextCursor& cur, const QString& tooltip) { m_hasInvalidMarks = true; cur.mergeCharFormat(m_invalidFormat); m_marks.append(Mark(cur.anchor(), cur.position(), tooltip)); } void CoordinateTextEdit::markValid(QTextCursor& cur, const QString& tooltip) { cur.mergeCharFormat(m_validFormat); m_marks.append(Mark(cur.anchor(), cur.position(), tooltip)); } bool CoordinateTextEdit::event(QEvent* e) { if (e->type() == QEvent::ToolTip) { auto* helpEvent = static_cast(e); showToolTip(helpEvent); return true; } return QTextEdit::event(e); } void CoordinateTextEdit::showToolTip(QHelpEvent* e) const { int position(cursorForPosition(e->pos()).position()); bool handled(false); if (position >= 0) { // Iterate backwards -- this ensures that "line too short" errors are shown // instead of the token-specific messages in that line. QListIterator iter(m_marks); iter.toBack(); while (iter.hasPrevious()) { const Mark& mark = iter.previous(); if (mark.contains(position)) { QToolTip::showText(e->globalPos(), mark.tooltip); handled = true; break; } } } if (!handled) { QToolTip::hideText(); e->ignore(); } } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/coordinateeditor/coordinatetextedit.h000066400000000000000000000030561474375334400276100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_COORDINATETEXTEDIT_H #define AVOGADRO_QTPLUGINS_COORDINATETEXTEDIT_H #include #include class QHelpEvent; namespace Avogadro { namespace QtPlugins { /** * @brief The CoordinateTextEdit class extends QTextEdit to provide context * tooltips and highlighting for syntax errors. */ class CoordinateTextEdit : public QTextEdit { Q_OBJECT public: explicit CoordinateTextEdit(QWidget* p = nullptr); bool hasInvalidMarks() const { return m_hasInvalidMarks; } public slots: void resetMarks(); void markInvalid(QTextCursor& cur, const QString& tooltip); void markValid(QTextCursor& cur, const QString& tooltip); protected: bool event(QEvent* e) override; private: void showToolTip(QHelpEvent* e) const; struct Mark { int start; int end; QString tooltip; Mark(int s, int e, const QString& t) : start(s) , end(e) , tooltip(t) {} bool contains(int i) const { return i >= start && i <= end; } }; QList m_marks; bool m_hasInvalidMarks; QTextCharFormat m_unmarkedFormat; QTextCharFormat m_invalidFormat; QTextCharFormat m_validFormat; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_COORDINATETEXTEDIT_H avogadrolibs-1.100.0/avogadro/qtplugins/copypaste/000077500000000000000000000000001474375334400222025ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/copypaste/CMakeLists.txt000066400000000000000000000002671474375334400247470ustar00rootroot00000000000000avogadro_plugin(CopyPaste "Interact with the clipboard." ExtensionPlugin copypaste.h CopyPaste "copypaste.cpp" "" ) target_link_libraries(CopyPaste PRIVATE Avogadro::IO) avogadrolibs-1.100.0/avogadro/qtplugins/copypaste/copypaste.cpp000066400000000000000000000215221474375334400247170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "copypaste.h" #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using namespace Avogadro::QtGui; CopyPaste::CopyPaste(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_pastedFormat(nullptr), m_copyAction(new QAction(tr("Copy"), this)), m_copySMILES(new QAction(tr("SMILES"), this)), m_copyInChI(new QAction(tr("InChI"), this)), m_cutAction(new QAction(tr("Cut"), this)), m_clearAction(new QAction(tr("Clear"), this)), m_pasteAction(new QAction(tr("&Paste"), this)) { m_cutAction->setShortcut(QKeySequence::Cut); m_cutAction->setIcon(QIcon::fromTheme("edit-cut")); m_cutAction->setProperty("menu priority", 560); connect(m_cutAction, SIGNAL(triggered()), SLOT(cut())); m_copyAction->setShortcut(QKeySequence::Copy); m_copyAction->setIcon(QIcon::fromTheme("edit-copy")); m_copyAction->setProperty("menu priority", 550); connect(m_copyAction, SIGNAL(triggered()), SLOT(copyCJSON())); m_copySMILES->setProperty("menu priority", 540); connect(m_copySMILES, SIGNAL(triggered()), SLOT(copySMILES())); m_copyInChI->setProperty("menu priority", 530); connect(m_copyInChI, SIGNAL(triggered()), SLOT(copyInChI())); m_pasteAction->setShortcut(QKeySequence::Paste); m_pasteAction->setIcon(QIcon::fromTheme("edit-paste")); m_pasteAction->setProperty("menu priority", 510); connect(m_pasteAction, SIGNAL(triggered()), SLOT(paste())); m_clearAction->setShortcut(QKeySequence::Delete); m_clearAction->setIcon(QIcon::fromTheme("edit-clear")); m_clearAction->setProperty("menu priority", 500); connect(m_clearAction, SIGNAL(triggered()), SLOT(clear())); } CopyPaste::~CopyPaste() { delete m_pastedFormat; } QList CopyPaste::actions() const { QList result; return result << m_copyAction << m_copySMILES << m_copyInChI << m_cutAction << m_pasteAction << m_clearAction; } QStringList CopyPaste::menuPath(QAction* action) const { if (action->text() != tr("SMILES") && action->text() != tr("InChI")) return QStringList() << tr("&Edit"); else return QStringList() << tr("&Edit") << tr("Copy As"); } void CopyPaste::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } bool CopyPaste::copyCJSON() { Io::CjsonFormat cjson; return copy(&cjson); } void CopyPaste::copySMILES() { Io::FileFormatManager& formats = Io::FileFormatManager::instance(); Io::FileFormat* format(formats.newFormatFromFileExtension("smi")); copy(format); delete format; } void CopyPaste::copyInChI() { Io::FileFormatManager& formats = Io::FileFormatManager::instance(); Io::FileFormat* format(formats.newFormatFromFileExtension("inchi")); copy(format); delete format; } bool CopyPaste::copy(Io::FileFormat* format) { if (m_molecule == nullptr || m_molecule->atomCount() == 0 || format == nullptr) return false; std::string output; QtGui::Molecule* copy = m_molecule; if (!m_molecule->isSelectionEmpty()) { // create a copy of the selected atoms only copy = new QtGui::Molecule(m_molecule->parent()); // go through the selected atoms and add them // make sure to track the new index std::vector atomIndex(m_molecule->atomCount(), 0); for (Index i = 0; i < m_molecule->atomCount(); ++i) if (m_molecule->atomSelected(i)) { auto a = copy->addAtom(m_molecule->atomicNumber(i)); a.setPosition3d(m_molecule->atomPosition3d(i)); // track the index atomIndex[i] = a.index(); } for (Index i = 0; i < m_molecule->bondCount(); ++i) { Core::Bond bond = m_molecule->bond(i); Index start = bond.atom1().index(); Index end = bond.atom2().index(); if (m_molecule->atomSelected(start) && m_molecule->atomSelected(start)) { copy->addBond(atomIndex[start], atomIndex[end], bond.order()); } } } if (!format->writeString(output, *copy)) { QMessageBox::warning( qobject_cast(this->parent()), tr("Error Clipping Molecule"), tr("Error generating clipboard data.") + "\n" + tr("Output format: %1\n%2", "file format") .arg(QString::fromStdString(m_pastedFormat->name())) .arg(QString::fromStdString(m_pastedFormat->description())) + "\n\n" + tr("Reader error:\n%1") .arg(QString::fromStdString(m_pastedFormat->error()))); return false; } QByteArray outputBA(output.c_str(), static_cast(output.length())); auto* mimeData(new QMimeData); std::vector mimeTypes(format->mimeTypes()); for (auto& mimeType : mimeTypes) mimeData->setData(QString::fromStdString(mimeType), outputBA); mimeData->setData("text/plain", outputBA); QApplication::clipboard()->setMimeData(mimeData); if (!m_molecule->isSelectionEmpty()) copy->deleteLater(); // don't leak our copy return true; } void CopyPaste::cut() { if (!copyCJSON()) return; if (m_molecule->isSelectionEmpty()) m_molecule->undoMolecule()->clearAtoms(); else { // Remove atoms from the largest to the smallest index // (that way, the index doesn't change) for (Index i = m_molecule->atomCount(); i > 0; --i) // atoms go from 0 to atomCount()-1 if (m_molecule->atomSelected(i - 1)) m_molecule->undoMolecule()->removeAtom(i - 1); } m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Bonds | QtGui::Molecule::Removed); } void CopyPaste::clear() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; if (m_molecule->isSelectionEmpty()) m_molecule->undoMolecule()->clearAtoms(); else { // Remove atoms from the largest to the smallest index // (that way, the index doesn't change) for (Index i = m_molecule->atomCount(); i > 0; --i) { // atoms go from 0 to atomCount()-1 if (m_molecule->atomSelected(i - 1)) m_molecule->undoMolecule()->removeAtom(i - 1); } } m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Bonds | QtGui::Molecule::Removed); } void CopyPaste::paste() { // Delete any old clipboard data. if (m_pastedFormat) { delete m_pastedFormat; m_pastedFormat = nullptr; m_pastedData.clear(); } if (!m_molecule) return; // nothing to do // make sure we clear the current selection for (Index i = 0; i < m_molecule->atomCount(); ++i) m_molecule->setAtomSelected(i, false); const QMimeData* mimeData(QApplication::clipboard()->mimeData()); if (!mimeData) { QMessageBox::warning(qobject_cast(this->parent()), tr("Error Pasting Molecule"), tr("Cannot paste molecule: Clipboard empty!")); return; } // Try to find a reader that can handle the available mime-types. Io::FileFormatManager& mgr = Io::FileFormatManager::instance(); QStringList mimeTypes(mimeData->formats()); Io::FileFormat::Operations ops(Io::FileFormat::Read | Io::FileFormat::String); foreach (const QString& mimeType, mimeTypes) { if ((m_pastedFormat = mgr.newFormatFromMimeType(mimeType.toStdString(), ops))) { m_pastedData = mimeData->data(mimeType); break; } } // No mime-type match, default to cjson. if (!m_pastedFormat && mimeData->hasText()) { m_pastedFormat = new Io::CjsonFormat; m_pastedData = mimeData->text().toLatin1(); } if (!m_pastedFormat) return; // we have a format, so try to insert the new bits into m_molecule Avogadro::QtGui::Molecule mol(m_molecule->parent()); bool success = m_pastedFormat->readString( std::string(m_pastedData.constData(), m_pastedData.size()), mol); if (!success) { QMessageBox::warning( qobject_cast(this->parent()), tr("Error Pasting Molecule"), tr("Error reading clipboard data.") + "\n" + tr("Detected format: %1\n%2", "file format description") .arg(QString::fromStdString(m_pastedFormat->name())) .arg(QString::fromStdString(m_pastedFormat->description())) + "\n\n" + tr("Reader error:\n%1") .arg(QString::fromStdString(m_pastedFormat->error()))); } // insert mol into m_molecule m_molecule->undoMolecule()->appendMolecule(mol, "Paste Molecule"); emit requestActiveTool("Manipulator"); delete m_pastedFormat; m_pastedFormat = nullptr; m_pastedData.clear(); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/copypaste/copypaste.h000066400000000000000000000033251474375334400243650ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_COPYPASTE_H #define AVOGADRO_QTPLUGINS_COPYPASTE_H #include #include #include namespace Avogadro { namespace Io { class FileFormat; } namespace QtPlugins { /** * @brief The CopyPaste class allows interaction with the system clipboard. */ class CopyPaste : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit CopyPaste(QObject* parent_ = nullptr); ~CopyPaste() override; QString name() const override { return tr("Copy and paste"); } QString description() const override { return tr("Interact with the clipboard."); } QList actions() const override; QStringList menuPath(QAction* action) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; private slots: bool copy(Io::FileFormat *format); // returns bool so cut can reuse implementation. bool copyCJSON(); void copySMILES(); void copyInChI(); void cut(); void paste(); void clear(); private: // Cached between emitting moleculeReady() and calling readMolecule(). QByteArray m_pastedData; Io::FileFormat* m_pastedFormat; QtGui::Molecule* m_molecule; QAction* m_copyAction; QAction* m_copySMILES; QAction* m_copyInChI; QAction* m_cutAction; QAction* m_clearAction; QAction* m_pasteAction; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_COPYPASTE_H avogadrolibs-1.100.0/avogadro/qtplugins/cp2kinput/000077500000000000000000000000001474375334400221125ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/cp2kinput/CMakeLists.txt000066400000000000000000000004301474375334400246470ustar00rootroot00000000000000# Extension set(cp2kinput_srcs cp2kinputdialog.cpp cp2kinput.cpp ) avogadro_plugin(Cp2kInput "CP2K input file generation" ExtensionPlugin cp2kinput.h Cp2kInput "${cp2kinput_srcs}" cp2kinputdialog.ui ) target_link_libraries(Cp2kInput PRIVATE Avogadro::MoleQueue) avogadrolibs-1.100.0/avogadro/qtplugins/cp2kinput/cp2kinput.cpp000066400000000000000000000054641474375334400245460ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "cp2kinput.h" #include "cp2kinputdialog.h" #include #include #include #include #include #include #include namespace Avogadro { namespace Core { class Molecule; } namespace QtPlugins { using Avogadro::MoleQueue::JobObject; Cp2kInput::Cp2kInput(QObject* parent_) : ExtensionPlugin(parent_), m_action(new QAction(this)), m_molecule(nullptr), m_dialog(nullptr), m_outputFormat(nullptr) { m_action->setEnabled(true); m_action->setText(tr("&CP2K…")); connect(m_action, SIGNAL(triggered()), SLOT(menuActivated())); } Cp2kInput::~Cp2kInput() {} QList Cp2kInput::actions() const { QList actions_; actions_.append(m_action); return actions_; } QStringList Cp2kInput::menuPath(QAction*) const { QStringList path; path << tr("&Input"); return path; } void Cp2kInput::setMolecule(QtGui::Molecule* mol) { if (m_dialog) m_dialog->setMolecule(mol); m_molecule = mol; } void Cp2kInput::openJobOutput(const JobObject& job) { m_outputFormat = nullptr; m_outputFileName.clear(); QString outputPath(job.value("outputDirectory").toString()); using QtGui::FileFormatDialog; FileFormatDialog::FormatFilePair result = FileFormatDialog::fileToRead( qobject_cast(parent()), tr("Open Output File"), outputPath); if (result.first == nullptr) // User canceled return; m_outputFormat = result.first; m_outputFileName = result.second; emit moleculeReady(1); } bool Cp2kInput::readMolecule(QtGui::Molecule& mol) { Io::FileFormat* reader = m_outputFormat->newInstance(); bool success = reader->readFile(m_outputFileName.toStdString(), mol); if (!success) { QMessageBox::information(qobject_cast(parent()), tr("Error"), tr("Error reading output file '%1':\n%2") .arg(m_outputFileName) .arg(QString::fromStdString(reader->error()))); } m_outputFormat = nullptr; m_outputFileName.clear(); return success; } void Cp2kInput::menuActivated() { if (!m_dialog) { m_dialog = new Cp2kInputDialog(qobject_cast(parent())); connect(m_dialog, SIGNAL(openJobOutput(Avogadro::MoleQueue::JobObject)), this, SLOT(openJobOutput(Avogadro::MoleQueue::JobObject))); } m_dialog->setMolecule(m_molecule); m_dialog->show(); } } // namespace QtPlugins } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/cp2kinput/cp2kinput.h000066400000000000000000000027141474375334400242060ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_CP2KINPUT_H #define AVOGADRO_QTPLUGINS_CP2KINPUT_H #include class QAction; class QDialog; namespace Avogadro { namespace Io { class FileFormat; } namespace MoleQueue { class JobObject; } namespace QtPlugins { class Cp2kInputDialog; class Cp2kInput : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit Cp2kInput(QObject* parent = nullptr); ~Cp2kInput(); QString name() const { return tr("CP2K input"); } QString description() const { return tr("Generate input for CP2K."); } QList actions() const; QStringList menuPath(QAction*) const; void setMolecule(QtGui::Molecule* mol); public slots: /** * Emitted when the user requests that a job's output be loaded in Avogadro. */ void openJobOutput(const Avogadro::MoleQueue::JobObject& job); bool readMolecule(QtGui::Molecule& mol); private slots: void menuActivated(); private: QAction* m_action; QtGui::Molecule* m_molecule; Cp2kInputDialog* m_dialog; const Io::FileFormat* m_outputFormat; QString m_outputFileName; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_CP2KINPUT_H avogadrolibs-1.100.0/avogadro/qtplugins/cp2kinput/cp2kinputdialog.cpp000066400000000000000000000653541474375334400257320ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "cp2kinputdialog.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::MoleQueue::MoleQueueDialog; using Avogadro::MoleQueue::MoleQueueManager; using Avogadro::MoleQueue::JobObject; namespace Avogadro::QtPlugins { enum CalculateOption { CalculateEnergy = 0, CalculateEnergyAndForces, CalculateMolecularDynamics, CalculateGeometryOptimization, CalculateCount }; enum FunctionalOption { FunctionalBLYP = 0, FunctionalBP, FunctionalHCTH120, FunctionalPADE, FunctionalPBE, FunctionalCount }; enum BasisOption { BasisSZVGTH = 0, BasisDZVGTH, BasisDZVPGTH, BasisTZVPGTH, BasisTZV2PGTH, BasisCount }; enum MethodOption { DFT = 0, MolecularMechanics, HybridQuantumClassical, MethodCount }; // MM tab enum EWALDTypeOption { EWALD = 0, ewaldNONE, PME, SPME, EWALDTypeCount }; // QM tab enum SCFGuessOption { ATOMIC = 0, CORE, DENSITIES, HISTORY_RESTART, MOPAC, scfNONE, RANDOM, RESTART, SPARSE, SCFGuessCount }; enum OTMinimizerOption { CG = 0, BROYDEN, DIIS, SD, OTMinimizerCount }; Cp2kInputDialog::Cp2kInputDialog(QWidget* parent_, Qt::WindowFlags f) : QDialog(parent_, f), m_molecule(nullptr), // m_highlighter(NULL), m_updatePending(false) { ui.setupUi(this); // m_highlighter = new Cp2kHighlighter(ui.previewText->document()); buildOptions(); connectBasic(); connectPreview(); connectButtons(); setBasicDefaults(); updatePreviewText(); } Cp2kInputDialog::~Cp2kInputDialog() {} void Cp2kInputDialog::setMolecule(QtGui::Molecule* mol) { if (mol == m_molecule) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; connect(mol, SIGNAL(changed(unsigned int)), SLOT(updatePreviewText())); connect(mol, SIGNAL(changed(unsigned int)), SLOT(updateTitlePlaceholder())); updateTitlePlaceholder(); updatePreviewText(); } void Cp2kInputDialog::showEvent(QShowEvent* e) { QWidget::showEvent(e); // Update the preview text if an update was requested while hidden. Use a // single shot to allow the dialog to show before popping up any warnings. if (m_updatePending) QTimer::singleShot(0, this, SLOT(updatePreviewText())); } void Cp2kInputDialog::connectBasic() { connect(ui.titleEdit, SIGNAL(textChanged(QString)), this, SLOT(updatePreviewText())); connect(ui.calculateCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.calculateCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updateTitlePlaceholder())); connect(ui.functionalCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.functionalCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updateTitlePlaceholder())); connect(ui.basisCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.basisCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updateTitlePlaceholder())); connect(ui.methodCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.ewaldtypeCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.emaxSplineSpin, SIGNAL(valueChanged(double)), this, SLOT(updatePreviewText())); connect(ui.rcutnbSplineSpin, SIGNAL(valueChanged(double)), this, SLOT(updatePreviewText())); connect(ui.ewaldalphaSpin, SIGNAL(valueChanged(double)), this, SLOT(updatePreviewText())); connect(ui.ewaldgmaxSpin, SIGNAL(valueChanged(double)), this, SLOT(updatePreviewText())); connect(ui.lsdcheckBox, SIGNAL(stateChanged(bool)), this, SLOT(updatePreviewText())); connect(ui.maxscfspinBox, SIGNAL(valueChanged(int)), this, SLOT(updatePreviewText())); connect(ui.epsscfSpinBox, SIGNAL(valueChanged(double)), this, SLOT(updatePreviewText())); connect(ui.outerMaxscfSpinBox, SIGNAL(valueChanged(int)), this, SLOT(updatePreviewText())); connect(ui.outerEpsscfSpinBox, SIGNAL(valueChanged(double)), this, SLOT(updatePreviewText())); connect(ui.scfguessComboBox, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.otminimizerComboBox, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); } void Cp2kInputDialog::connectPreview() {} void Cp2kInputDialog::connectButtons() { connect(ui.resetAllButton, SIGNAL(clicked()), SLOT(resetClicked())); connect(ui.defaultsButton, SIGNAL(clicked()), SLOT(defaultsClicked())); connect(ui.generateButton, SIGNAL(clicked()), SLOT(generateClicked())); connect(ui.computeButton, SIGNAL(clicked()), SLOT(computeClicked())); connect(ui.closeButton, SIGNAL(clicked()), SLOT(close())); } void Cp2kInputDialog::buildOptions() { buildCalculateOptions(); buildFunctionalOptions(); buildBasisOptions(); buildMethodOptions(); buildEWALDTypeOptions(); buildSCFGuessOptions(); buildOTMinimizerOptions(); } void Cp2kInputDialog::updateOptionCache() { m_optionCache.clear(); m_optionCache.insert(ui.calculateCombo, ui.calculateCombo->currentIndex()); m_optionCache.insert(ui.functionalCombo, ui.functionalCombo->currentIndex()); m_optionCache.insert(ui.basisCombo, ui.basisCombo->currentIndex()); m_optionCache.insert(ui.methodCombo, ui.methodCombo->currentIndex()); m_optionCache.insert(ui.ewaldtypeCombo, ui.ewaldtypeCombo->currentIndex()); m_optionCache.insert(ui.scfguessComboBox, ui.scfguessComboBox->currentIndex()); m_optionCache.insert(ui.otminimizerComboBox, ui.otminimizerComboBox->currentIndex()); } void Cp2kInputDialog::restoreOptionCache() { foreach (QComboBox* combo, m_optionCache.keys()) { combo->blockSignals(true); combo->setCurrentIndex(m_optionCache.value(combo, 0)); combo->blockSignals(false); } } void Cp2kInputDialog::buildCalculateOptions() { for (int i = 0; i < static_cast(CalculateCount); ++i) { QString text = ""; switch (static_cast(i)) { case CalculateEnergy: text = tr("Energy"); break; case CalculateEnergyAndForces: text = tr("Energy and Forces"); break; case CalculateMolecularDynamics: text = tr("Molecular Dynamics"); break; case CalculateGeometryOptimization: text = tr("Geometry Optimization"); break; default: break; } ui.calculateCombo->addItem(text); } } void Cp2kInputDialog::buildFunctionalOptions() { for (int i = 0; i < static_cast(FunctionalCount); ++i) { QString text = ""; switch (static_cast(i)) { case FunctionalBLYP: text = "BLYP"; break; case FunctionalBP: text = "BP"; break; case FunctionalHCTH120: text = "HCTH120"; break; case FunctionalPADE: text = "PADE"; break; case FunctionalPBE: text = "PBE"; break; default: break; } ui.functionalCombo->addItem(text); } } void Cp2kInputDialog::buildBasisOptions() { for (int i = 0; i < static_cast(BasisCount); ++i) { QString text = ""; switch (static_cast(i)) { case BasisSZVGTH: text = "SZV-GTH"; break; case BasisDZVGTH: text = "DZV-GTH"; break; case BasisDZVPGTH: text = "DZVP-GTH"; break; case BasisTZVPGTH: text = "TZVP-GTH"; break; case BasisTZV2PGTH: text = "TZV2P-GTH"; break; default: break; } ui.basisCombo->addItem(text); } } void Cp2kInputDialog::buildMethodOptions() { for (int i = 0; i < static_cast(MethodCount); ++i) { QString text = ""; switch (static_cast(i)) { case DFT: text = tr("Electronic structure methods (DFT)"); break; case MolecularMechanics: text = tr("Molecular Mechanics"); break; case HybridQuantumClassical: text = tr("Hybrid quantum classical (Not yet supported)"); break; default: break; } ui.methodCombo->addItem(text); } } void Cp2kInputDialog::buildEWALDTypeOptions() { for (int i = 0; i < static_cast(EWALDTypeCount); ++i) { QString text = ""; switch (static_cast(i)) { case EWALD: text = tr("EWALD"); break; case ewaldNONE: text = tr("NONE"); break; case PME: text = tr("PME"); break; case SPME: text = tr("SPME"); break; default: break; } ui.ewaldtypeCombo->addItem(text); } } void Cp2kInputDialog::buildSCFGuessOptions() { for (int i = 0; i < static_cast(SCFGuessCount); ++i) { QString text = ""; switch (static_cast(i)) { case ATOMIC: text = tr("ATOMIC"); break; case CORE: text = tr("CORE"); break; case DENSITIES: text = tr("DENSITIES"); break; case HISTORY_RESTART: text = tr("HISTORY_RESTART"); break; case MOPAC: text = tr("MOPAC"); break; case scfNONE: text = tr("NONE"); break; case RANDOM: text = tr("RANDOM"); break; case RESTART: text = tr("RESTART"); break; case SPARSE: text = tr("SPARSE"); break; default: break; } ui.scfguessComboBox->addItem(text); } } void Cp2kInputDialog::buildOTMinimizerOptions() { for (int i = 0; i < static_cast(OTMinimizerCount); ++i) { QString text = ""; switch (static_cast(i)) { case BROYDEN: text = tr("BROYDEN"); break; case CG: text = tr("Conjugate Gradients"); break; case DIIS: text = tr("DIIS"); break; case SD: text = tr("Steepest descent"); break; default: break; } ui.otminimizerComboBox->addItem(text); } } void Cp2kInputDialog::setBasicDefaults() { ui.titleEdit->setText(QString()); ui.calculateCombo->setCurrentIndex(CalculateEnergy); ui.functionalCombo->setCurrentIndex(FunctionalBLYP); ui.basisCombo->setCurrentIndex(BasisSZVGTH); ui.methodCombo->setCurrentIndex(DFT); ui.ewaldtypeCombo->setCurrentIndex(SPME); ui.scfguessComboBox->setCurrentIndex(ATOMIC); ui.otminimizerComboBox->setCurrentIndex(CG); } QString Cp2kInputDialog::generateJobTitle() const { QString calculation(ui.calculateCombo->currentText()); QString basis(ui.basisCombo->currentText()); QString formula(m_molecule ? QString::fromStdString(m_molecule->formula()) : tr("[no molecule]")); // Merge theory/basis into theory // replace(QRegExp("\\s+"), ""); return QString("%1_%2_%3").arg(formula, calculation, basis); } void Cp2kInputDialog::updatePreviewText() { std::map valencee; valencee["H"] = 1; valencee["He"] = 2; valencee["Li"] = 3; valencee["Be"] = 4; valencee["B"] = 3; valencee["C"] = 4; valencee["N"] = 5; valencee["O"] = 6; valencee["F"] = 7; valencee["Ne"] = 8; valencee["Na"] = 9; valencee["Mg"] = 10; valencee["Al"] = 3; valencee["Si"] = 4; valencee["P"] = 5; valencee["S"] = 6; valencee["Cl"] = 7; valencee["Ar"] = 8; valencee["K"] = 9; valencee["Ca"] = 10; valencee["Sc"] = 11; valencee["Ti"] = 12; valencee["V"] = 13; valencee["Cr"] = 14; valencee["Mn"] = 15; valencee["Fe"] = 16; valencee["Co"] = 17; valencee["Ni"] = 18; valencee["Cu"] = 11; valencee["Zn"] = 12; valencee["Ga"] = 13; valencee["Ge"] = 4; valencee["As"] = 5; valencee["Se"] = 6; valencee["Br"] = 7; valencee["Kr"] = 8; valencee["As"] = 5; valencee["Sr"] = 10; valencee["Y"] = 11; valencee["Zr"] = 12; valencee["Mo"] = 14; valencee["Ru"] = 16; valencee["Rh"] = 17; valencee["Pd"] = 18; valencee["Ag"] = 11; valencee["In"] = 13; valencee["Sb"] = 5; valencee["Te"] = 6; valencee["I"] = 7; valencee["Ba"] = 10; valencee["W"] = 14; valencee["Au"] = 11; valencee["Bi"] = 15; // If the dialog is not shown, delay the update in case we need to prompt the // user to overwrite changes. Set the m_updatePending flag to true so we'll // know to update in the show event. if (!isVisible()) { m_updatePending = true; return; } m_updatePending = false; // Has the preview text been modified? if (ui.previewText->document()->isModified()) { QString message = tr("The input file has been modified. " "Would you like to overwrite your changes to reflect " "the new geometry or job options?"); int response = QMessageBox::question( this, tr("Overwrite modified input file?"), message, QMessageBox::Yes | QMessageBox::No, QMessageBox::No); if (static_cast(response) != QMessageBox::Yes) { restoreOptionCache(); return; } } // Gather options: QString title(ui.titleEdit->text()); if (title.isEmpty()) title = generateJobTitle(); auto calculate( static_cast(ui.calculateCombo->currentIndex())); auto functional( static_cast(ui.functionalCombo->currentIndex())); auto basis(static_cast(ui.basisCombo->currentIndex())); auto method( static_cast(ui.methodCombo->currentIndex())); auto EWALDType( static_cast(ui.ewaldtypeCombo->currentIndex())); auto SCFGuess( static_cast(ui.scfguessComboBox->currentIndex())); auto OTMinimizer( static_cast(ui.otminimizerComboBox->currentIndex())); QString emaxSpline = QString::number(ui.emaxSplineSpin->value()); QString rcutnb = QString::number(ui.rcutnbSplineSpin->value()); QString ewaldalpha = QString::number(ui.ewaldalphaSpin->value()); QString ewaldgmax = QString::number(ui.ewaldgmaxSpin->value()); QString maxSCF = QString::number(ui.maxscfspinBox->value()); QString epsSCF = QString::number(ui.epsscfSpinBox->value()); QString outermaxSCF = QString::number(ui.outerMaxscfSpinBox->value()); QString outerepsSCF = QString::number(ui.outerEpsscfSpinBox->value()); // Generate text. // Variables: QString runTyp; QString scfTyp; QString gbasis; QString gfunc; QString gmethod; QString mult; QString ewaldtype; QString lsd; QString scfGuess; QString otMinimizer; // Extra options for lines QString extraBasis; QString extraContrl; // Optional lines QString statPt; QString force; QString pcm; switch (calculate) { case CalculateEnergy: runTyp = "ENERGY"; break; case CalculateEnergyAndForces: runTyp = "ENERGY_FORCE"; break; case CalculateMolecularDynamics: runTyp = "MOLECULAR_DYNAMICS"; break; case CalculateGeometryOptimization: runTyp = "GEO_OPT"; break; default: break; } switch (functional) { case FunctionalBLYP: gfunc = "BLYP"; break; case FunctionalBP: gfunc = "BP"; break; case FunctionalHCTH120: gfunc = "HCTH120"; break; case FunctionalPADE: gfunc = "PADE"; break; case FunctionalPBE: gfunc = "PBE"; break; default: break; } switch (basis) { case BasisSZVGTH: gbasis = "SZV-GTH"; break; case BasisDZVGTH: gbasis = "DZV-GTH"; break; case BasisDZVPGTH: gbasis = "DZVP-GTH"; break; case BasisTZVPGTH: gbasis = "TZVP-GTH"; break; case BasisTZV2PGTH: gbasis = "TZV2P-GTH"; break; default: break; } switch (method) { case DFT: gmethod = "QS"; break; case MolecularMechanics: gmethod = "FIST"; break; case HybridQuantumClassical: gmethod = "QMMM"; break; default: break; } switch (EWALDType) { case EWALD: ewaldtype = "EWALD"; break; case ewaldNONE: ewaldtype = "NONE"; break; case PME: ewaldtype = "PME"; break; case SPME: ewaldtype = "SPME"; break; default: break; } switch (SCFGuess) { case ATOMIC: scfGuess = "ATOMIC"; break; case CORE: scfGuess = "CORE"; break; case DENSITIES: scfGuess = "DENSITIES"; break; case HISTORY_RESTART: scfGuess = "HISTORY_RESTART"; break; case MOPAC: scfGuess = "MOPAC"; break; case scfNONE: scfGuess = "NONE"; break; case RANDOM: scfGuess = "RANDOM"; break; case RESTART: scfGuess = "RESTART"; break; case SPARSE: scfGuess = "SPARSE"; break; default: break; } switch (OTMinimizer) { case BROYDEN: otMinimizer = "BROYDEN"; break; case CG: otMinimizer = "CG"; break; case DIIS: otMinimizer = "DIIS"; break; case SD: otMinimizer = "SD"; break; default: break; } /* switch (lsdbool) { case true: lsd = "TRUE"; break; case false: lsd = "FALSE"; break; }*/ // build up the input file: QString file; file += "&GLOBAL\n"; file += QString(" PROJECT %1\n").arg(title); file += QString(" RUN_TYPE %1\n").arg(runTyp); file += " PRINT_LEVEL LOW\n"; file += "&END GLOBAL\n\n"; file += "&FORCE_EVAL\n"; file += QString(" METHOD %1\n").arg(gmethod); file += " &SUBSYS\n"; if (m_molecule) { std::vector atomList; bool inlist = true; for (size_t i = 0; i < m_molecule->atomCount(); ++i) { Core::Atom atom = m_molecule->atom(i); for (unsigned iat : atomList) { if (iat == atom.atomicNumber()) { inlist = false; break; } else { inlist = true; } } if (inlist) { atomList.push_back(atom.atomicNumber()); QString symbol = Core::Elements::symbol(atom.atomicNumber()); file += QString(" &KIND %1\n").arg(symbol); file += QString(" ELEMENT %1\n") .arg(Core::Elements::symbol(atom.atomicNumber())); file += QString(" BASIS_SET %1\n").arg(gbasis); file += QString(" POTENTIAL GTH-%1-q%2\n") .arg(gfunc) .arg(valencee[symbol]); file += QString(" &END KIND\n"); } } } // unit cell file += " &CELL\n"; if (const Core::UnitCell* cell = m_molecule->unitCell()) { Vector3f a = cell->aVector().cast(); Vector3f b = cell->bVector().cast(); Vector3f c = cell->cVector().cast(); file += QStringLiteral(" A%1%2%3\n") .arg(a.x(), 16, 'f', 7) .arg(a.y(), 16, 'f', 7) .arg(a.z(), 16, 'f', 7); file += QStringLiteral(" B%1%2%3\n") .arg(b.x(), 16, 'f', 7) .arg(b.y(), 16, 'f', 7) .arg(b.z(), 16, 'f', 7); file += QStringLiteral(" C%1%2%3\n") .arg(c.x(), 16, 'f', 7) .arg(c.y(), 16, 'f', 7) .arg(c.z(), 16, 'f', 7); } else { // @todo - this should look at the dimensions of the Molecule file += " A 10.00000000 0.000000000 0.000000000\n"; file += " B 0.000000000 10.00000000 0.000000000\n"; file += " C 0.000000000 0.000000000 10.00000000\n"; file += " PERIODIC NONE\n"; } file += " &END CELL\n"; if (m_molecule) { file += " &COORD\n"; for (size_t i = 0; i < m_molecule->atomCount(); ++i) { Core::Atom atom = m_molecule->atom(i); file += QString(" %1 %2 %3 %4\n") .arg(Core::Elements::symbol(atom.atomicNumber()), -3) .arg(atom.position3d().x(), 9, 'f', 5) .arg(atom.position3d().y(), 9, 'f', 5) .arg(atom.position3d().z(), 9, 'f', 5); } file += " &END COORD\n"; } file += " &END SUBSYS\n"; if (gmethod == "QS") { file += " &DFT\n"; file += " BASIS_SET_FILE_NAME BASIS_SET\n"; file += " POTENTIAL_FILE_NAME GTH_POTENTIALS\n"; if (ui.lsdcheckBox->isChecked()) file += " LSD TRUE\n"; file += " &QS\n"; file += " EPS_DEFAULT 1.0E-10\n"; file += " &END QS\n"; file += QString(" LSD %1\n").arg(lsd); file += " &MGRID\n"; file += " CUTOFF 280\n"; file += " COMMENSURATE\n"; file += " &END MGRID\n"; file += " &SCF\n"; file += QString(" MAX_SCF %1\n").arg(maxSCF); file += QString(" EPS_SCF %1\n").arg(epsSCF); file += QString(" SCF_GUESS %1\n").arg(scfGuess); file += " &OUTER_SCF\n"; file += QString(" MAX_SCF %1\n").arg(outermaxSCF); file += QString(" EPS_SCF %1\n").arg(outerepsSCF); file += " &END\n"; file += " &OT T\n"; file += QString(" MINIMIZER %1\n").arg(otMinimizer); file += " N_DIIS 7\n"; file += " &END OT\n"; file += " &END SCF\n"; file += " &XC\n"; file += QString(" &XC_FUNCTIONAL %1\n").arg(gfunc); file += " &END XC_FUNCTIONAL\n"; file += " &END XC\n"; file += " &END DFT\n"; file += " &PRINT\n"; file += " &FORCES ON\n"; file += " &END FORCES\n"; file += " &END PRINT\n"; } else if (gmethod == "FIST") { file += " &TOPOLOGY\n"; file += " CHARGE_BETA\n"; file += " CONNECTIVITY AMBER\n"; file += " CONN_FILE_NAME ! Add file name that contains connectivity data\n"; file += " &END TOPOLOGY \n"; file += " &PRINT\n"; file += " &TOPOLOGY_INFO\n"; file += " AMBER_INFO\n"; file += " &END\n"; file += " &END \n"; file += " &END SUBSYS\n"; file += " &MM\n"; file += " &FORCEFIELD\n"; file += " PARM_FILE_NAME ! Add file name that contains force field " "parameters\n"; file += " PARMTYPE AMBER\n"; file += " &SPLINE\n"; file += QString(" EMAX_SPLINE %1\n").arg(emaxSpline); file += QString(" RCUT_NB %1\n").arg(rcutnb); file += " &END SPLINE\n"; file += " &END FORCEFIELD\n"; file += " &POISSON\n"; file += " &EWALD\n"; file += QString(" EWALD_TYPE %1\n").arg(ewaldtype); file += QString(" ALPHA %1\n").arg(ewaldalpha); file += QString(" GMAX %1\n").arg(ewaldgmax); file += " &END EWALD\n"; file += " &END POISSON\n"; file += " &PRINT\n"; file += " &FF_INFO\n"; file += " $END\n"; file += " &FF_PARAMETER_FILE\n"; file += " &END\n"; file += " &END PRINT\n"; file += " &END MM\n"; } file += " $END\n"; file += "&END FORCE_EVAL\n"; ui.previewText->setText(file); ui.previewText->document()->setModified(false); updateOptionCache(); } void Cp2kInputDialog::resetClicked() { setBasicDefaults(); updatePreviewText(); } void Cp2kInputDialog::defaultsClicked() { setBasicDefaults(); updatePreviewText(); } void Cp2kInputDialog::generateClicked() { QSettings settings; QString fileName = (ui.baseNameEdit->text().isEmpty() ? ui.baseNameEdit->placeholderText() : ui.baseNameEdit->text()) + ".inp"; QString targetFile = settings.value("cp2kInput/outputDirectory", QDir::homePath()).toString(); targetFile = QDir(QFileInfo(targetFile).absoluteDir()).absoluteFilePath(fileName); fileName = QFileDialog::getSaveFileName(this, tr("Save CP2K input file"), targetFile); // User cancel: if (fileName.isNull()) return; settings.setValue("cp2kInput/outputDirectory", fileName); QFile file(fileName); bool success = false; if (file.open(QFile::WriteOnly | QFile::Text)) { if (file.write(ui.previewText->toPlainText().toLatin1()) > 0) { success = true; } file.close(); } if (!success) { QMessageBox::critical(this, tr("Output Error"), tr("Failed to write to file %1.").arg(fileName)); } } void Cp2kInputDialog::computeClicked() { // Verify that molequeue is running: MoleQueueManager& mqManager = MoleQueueManager::instance(); if (!mqManager.connectIfNeeded()) { QMessageBox::information(this, tr("Cannot connect to MoleQueue"), tr("Cannot connect to MoleQueue server. Please " "ensure that it is running and try again.")); return; } QString description(ui.titleEdit->text()); if (description.isEmpty()) description = generateJobTitle(); QString fileNameBase = ui.baseNameEdit->text().isEmpty() ? ui.baseNameEdit->placeholderText() : ui.baseNameEdit->text(); JobObject job; job.setProgram("CP2K"); job.setDescription(description); job.setInputFile(QString("%1.inp").arg(fileNameBase), ui.previewText->toPlainText()); MoleQueueDialog::SubmitStatus submitStatus = MoleQueueDialog::submitJob(this, tr("Submit CP2K Calculation"), job, MoleQueueDialog::WaitForSubmissionResponse | MoleQueueDialog::SelectProgramFromTemplate); switch (submitStatus) { default: case MoleQueueDialog::SubmissionSuccessful: case MoleQueueDialog::SubmissionFailed: case MoleQueueDialog::SubmissionAttempted: case MoleQueueDialog::SubmissionAborted: // The dialog handles these cases adequately, we don't need to do // anything. break; case MoleQueueDialog::JobFailed: // Inform the user: QMessageBox::information(this, tr("Job Failed"), tr("The job did not complete successfully."), QMessageBox::Ok); break; case MoleQueueDialog::JobFinished: // Let the world know that the job is ready to open. job has been // overwritten with the final job details. emit openJobOutput(job); hide(); break; } } void Cp2kInputDialog::updateTitlePlaceholder() { ui.titleEdit->setPlaceholderText(generateJobTitle()); } } // end namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/cp2kinput/cp2kinputdialog.h000066400000000000000000000040351474375334400253640ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef CP2KINPUTDIALOG_H #define CP2KINPUTDIALOG_H #include #include #include #include "ui_cp2kinputdialog.h" #include class QJsonObject; namespace Avogadro { namespace MoleQueue { class JobObject; } namespace QtGui { class Molecule; } namespace QtPlugins { // class GamessHighlighter; class Cp2kInputDialog : public QDialog { Q_OBJECT public: explicit Cp2kInputDialog(QWidget* parent_ = nullptr, Qt::WindowFlags f = Qt::WindowFlags()); ~Cp2kInputDialog(); void setMolecule(QtGui::Molecule* mol); signals: /** * Emitted when the user requests that a job's output be loaded in Avogadro. */ void openJobOutput(const Avogadro::MoleQueue::JobObject& job); protected: void showEvent(QShowEvent* e); private slots: void updatePreviewText(); void defaultsClicked(); void resetClicked(); void generateClicked(); void computeClicked(); void updateTitlePlaceholder(); private: void connectBasic(); void connectPreview(); void connectButtons(); void buildOptions(); void updateOptionCache(); void restoreOptionCache(); void buildCalculateOptions(); void buildFunctionalOptions(); void buildMethodOptions(); void buildBasisOptions(); void buildStateOptions(); void buildMultiplicityOptions(); void buildChargeOptions(); void buildEWALDTypeOptions(); void buildSCFGuessOptions(); void buildOTMinimizerOptions(); void setBasicDefaults(); QString generateJobTitle() const; Ui::Cp2kInputDialog ui; QtGui::Molecule* m_molecule; // GamessHighlighter *m_highlighter; bool m_updatePending; QMap m_optionCache; }; } // end namespace QtPlugins } // end namespace Avogadro #endif // CP2KINPUTDIALOG_H avogadrolibs-1.100.0/avogadro/qtplugins/cp2kinput/cp2kinputdialog.ui000066400000000000000000000464761474375334400255710ustar00rootroot00000000000000 Cp2kInputDialog 0 0 651 566 CP2K Input Reset All Defaults Qt::Horizontal QSizePolicy::MinimumExpanding 10 20 Submit Calculation… Save File… Close 0 1 0 300 0 &Basic Setup Title: titleEdit Filename Base: job Calculate: Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter calculateCombo Qt::Horizontal 40 20 Method: Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter methodCombo Qt::Horizontal 40 20 Basis set: Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter basisCombo Functional Qt::Horizontal 16 20 Qt::Vertical 20 0 MM FF Emax Spline Spin 6 -99.000000000000000 0.000010000000000 0.000000000000000 Qt::Horizontal 40 20 FF RCUT NB 6 -99.000000000000000 -1.000000000000000 Qt::Horizontal 40 20 Poisson EWALD type Qt::Horizontal 40 20 Poisson EWALD Alpha -99.000000000000000 Qt::Horizontal 40 20 Poisson EWALD GMAX 1000 10 Qt::Horizontal 40 20 QM LSD TRUE Qt::Horizontal 40 20 MAX SCF 999 50 Qt::Horizontal 40 20 EPS SCF 8 0.000010000000000 Qt::Horizontal 40 20 SCF GUESS Qt::Horizontal 40 20 OUTER MAX SCF 999 50 Qt::Horizontal 40 20 OUTER EPS SCF 8 0.000010000000000 Qt::Horizontal 40 20 OT T MINIMIZER Qt::Horizontal 40 20 calculateCombo basisCombo functionalCombo methodCombo previewText resetAllButton defaultsButton generateButton closeButton avogadrolibs-1.100.0/avogadro/qtplugins/crystal/000077500000000000000000000000001474375334400216545ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/crystal/CMakeLists.txt000066400000000000000000000011061474375334400244120ustar00rootroot00000000000000set(crystal_srcs crystal.cpp importcrystaldialog.cpp supercelldialog.cpp unitcelldialog.cpp volumescalingdialog.cpp ) set(crystal_uis importcrystaldialog.ui supercelldialog.ui unitcelldialog.ui volumescalingdialog.ui ) avogadro_plugin(Crystal "Provide crystal-specific editing/analysis." ExtensionPlugin crystal.h Crystal "${crystal_srcs}" "${crystal_uis}" ) avogadro_plugin(CrystalScene "Render unit cell lattice." ScenePlugin crystalscene.h CrystalScene crystalscene.cpp) target_link_libraries(CrystalScene PRIVATE Avogadro::Rendering) avogadrolibs-1.100.0/avogadro/qtplugins/crystal/crystal.cpp000066400000000000000000000164521474375334400240510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "crystal.h" #include "importcrystaldialog.h" #include "supercelldialog.h" #include "unitcelldialog.h" #include "volumescalingdialog.h" #include #include #include #include #include #include #include using Avogadro::Core::CrystalTools; using Avogadro::QtGui::Molecule; namespace Avogadro::QtPlugins { Crystal::Crystal(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_molecule(nullptr), m_unitCellDialog(nullptr), m_importCrystalClipboardAction(new QAction(this)), m_editUnitCellAction(new QAction(this)), m_buildSupercellAction(new QAction(this)), m_niggliReduceAction(new QAction(this)), m_scaleVolumeAction(new QAction(this)), m_standardOrientationAction(new QAction(this)), m_toggleUnitCellAction(new QAction(this)), m_wrapAtomsToCellAction(new QAction(this)) { m_importCrystalClipboardAction->setText(tr("Import Crystal from Clipboard…")); connect(m_importCrystalClipboardAction, SIGNAL(triggered()), SLOT(importCrystalClipboard())); m_actions.push_back(m_importCrystalClipboardAction); m_importCrystalClipboardAction->setProperty("menu priority", 220); // this will be changed when the molecule is set: m_toggleUnitCellAction->setText(tr("Toggle Unit Cell")); connect(m_toggleUnitCellAction, SIGNAL(triggered()), SLOT(toggleUnitCell())); m_actions.push_back(m_toggleUnitCellAction); m_toggleUnitCellAction->setProperty("menu priority", 210); m_editUnitCellAction->setText(tr("Edit Unit Cell…")); connect(m_editUnitCellAction, SIGNAL(triggered()), SLOT(editUnitCell())); m_actions.push_back(m_editUnitCellAction); m_editUnitCellAction->setProperty("menu priority", 190); m_wrapAtomsToCellAction->setText(tr("&Wrap Atoms to Unit Cell")); connect(m_wrapAtomsToCellAction, SIGNAL(triggered()), SLOT(wrapAtomsToCell())); m_actions.push_back(m_wrapAtomsToCellAction); m_wrapAtomsToCellAction->setProperty("menu priority", 180); m_standardOrientationAction->setText(tr("Rotate to Standard &Orientation")); connect(m_standardOrientationAction, SIGNAL(triggered()), SLOT(standardOrientation())); m_actions.push_back(m_standardOrientationAction); m_standardOrientationAction->setProperty("menu priority", 170); m_scaleVolumeAction->setText(tr("Scale Cell &Volume…")); connect(m_scaleVolumeAction, SIGNAL(triggered()), SLOT(scaleVolume())); m_actions.push_back(m_scaleVolumeAction); m_scaleVolumeAction->setProperty("menu priority", 160); m_buildSupercellAction->setText(tr("Build &Supercell…")); connect(m_buildSupercellAction, SIGNAL(triggered()), SLOT(buildSupercell())); m_actions.push_back(m_buildSupercellAction); m_buildSupercellAction->setProperty("menu priority", 150); m_niggliReduceAction->setText(tr("Reduce Cell (&Niggli)")); connect(m_niggliReduceAction, SIGNAL(triggered()), SLOT(niggliReduce())); m_actions.push_back(m_niggliReduceAction); m_niggliReduceAction->setProperty("menu priority", 140); updateActions(); } Crystal::~Crystal() { if (m_unitCellDialog) m_unitCellDialog->deleteLater(); qDeleteAll(m_actions); m_actions.clear(); } QList Crystal::actions() const { return m_actions; } QStringList Crystal::menuPath(QAction*) const { return QStringList() << tr("&Crystal"); } void Crystal::setMolecule(QtGui::Molecule* mol) { if (m_molecule == mol) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; if (m_unitCellDialog) m_unitCellDialog->setMolecule(m_molecule); if (m_molecule) connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint))); updateActions(); } void Crystal::moleculeChanged(unsigned int c) { Q_ASSERT(m_molecule == qobject_cast(sender())); auto changes = static_cast(c); if (changes & Molecule::UnitCell) { if (changes & Molecule::Added || changes & Molecule::Removed) updateActions(); } } void Crystal::updateActions() { // Disable everything for nullptr molecules. if (!m_molecule) { foreach (QAction* action, m_actions) action->setEnabled(false); return; } if (m_molecule->unitCell()) { foreach (QAction* action, m_actions) action->setEnabled(true); m_toggleUnitCellAction->setText(tr("Remove &Unit Cell")); } else { foreach (QAction* action, m_actions) action->setEnabled(false); m_importCrystalClipboardAction->setEnabled(true); m_toggleUnitCellAction->setEnabled(true); m_toggleUnitCellAction->setText(tr("Add &Unit Cell")); } } void Crystal::importCrystalClipboard() { ImportCrystalDialog d; Core::Molecule m; if (d.importCrystalClipboard(m)) { // If we succeeded, update m_molecule Molecule::MoleculeChanges changes = Molecule::Added | Molecule::Atoms | Molecule::UnitCell; QString undoText = tr("Import Crystal from Clipboard"); m_molecule->undoMolecule()->modifyMolecule(m, changes, undoText); } } void Crystal::registerCommands() { emit registerCommand("wrapUnitCell", tr("Wrap atoms into the unit cell.")); emit registerCommand("standardCrystalOrientation", tr("Rotate the unit cell to the standard orientation.")); } bool Crystal::handleCommand(const QString& command, const QVariantMap& options) { if (m_molecule == nullptr) return false; // No molecule to handle the command. if (command == "wrapUnitCell") { wrapAtomsToCell(); return true; } else if (command == "standardCrystalOrientation") { standardOrientation(); return true; } return false; } void Crystal::editUnitCell() { if (!m_unitCellDialog) { m_unitCellDialog = new UnitCellDialog(qobject_cast(parent())); m_unitCellDialog->setMolecule(m_molecule); } m_unitCellDialog->show(); } void Crystal::buildSupercell() { SupercellDialog d; d.buildSupercell(*m_molecule); } void Crystal::niggliReduce() { if (CrystalTools::isNiggliReduced(*m_molecule)) { QMessageBox::information( qobject_cast(parent()), tr("Niggli Reduce Crystal"), tr("The unit cell is already reduced."), QMessageBox::Ok); return; } m_molecule->undoMolecule()->niggliReduceCell(); } void Crystal::scaleVolume() { if (!m_molecule->unitCell()) return; VolumeScalingDialog dlg; dlg.setCurrentVolume(m_molecule->unitCell()->volume()); int reply = dlg.exec(); if (reply != QDialog::Accepted) return; m_molecule->undoMolecule()->setCellVolume( dlg.newVolume(), dlg.transformAtoms() ? CrystalTools::TransformAtoms : CrystalTools::None); } void Crystal::standardOrientation() { m_molecule->undoMolecule()->rotateCellToStandardOrientation(); } void Crystal::toggleUnitCell() { if (m_molecule->unitCell()) { m_molecule->undoMolecule()->removeUnitCell(); } else { m_molecule->undoMolecule()->addUnitCell(); editUnitCell(); } } void Crystal::wrapAtomsToCell() { m_molecule->undoMolecule()->wrapAtomsToCell(); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/crystal/crystal.h000066400000000000000000000037001474375334400235060ustar00rootroot00000000000000/******************************************************************************* This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). *******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_CRYSTAL_H #define AVOGADRO_QTPLUGINS_CRYSTAL_H #include namespace Avogadro { namespace QtPlugins { class UnitCellDialog; /** * @brief Tools for crystal-specific editing/analysis. */ class Crystal : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit Crystal(QObject* parent_ = nullptr); ~Crystal() override; QString name() const override { return tr("Crystal"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; bool handleCommand(const QString& command, const QVariantMap& options) override; void registerCommands() override; public slots: void setMolecule(QtGui::Molecule* mol) override; void moleculeChanged(unsigned int changes); private slots: void updateActions(); void importCrystalClipboard(); void editUnitCell(); void buildSupercell(); void niggliReduce(); void scaleVolume(); void standardOrientation(); void toggleUnitCell(); void wrapAtomsToCell(); private: QList m_actions; QtGui::Molecule* m_molecule; UnitCellDialog* m_unitCellDialog; QAction* m_importCrystalClipboardAction; QAction* m_editUnitCellAction; QAction* m_buildSupercellAction; QAction* m_niggliReduceAction; QAction* m_scaleVolumeAction; QAction* m_standardOrientationAction; QAction* m_toggleUnitCellAction; QAction* m_wrapAtomsToCellAction; }; inline QString Crystal::description() const { return tr("Tools for crystal-specific editing/analysis."); } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_CRYSTAL_H avogadrolibs-1.100.0/avogadro/qtplugins/crystal/crystalscene.cpp000066400000000000000000000125431474375334400250640ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "crystalscene.h" #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using Core::Array; using Core::UnitCell; using Rendering::GeometryNode; using Rendering::GroupNode; using Rendering::LineStripGeometry; const Vector3ub red = { 255, 0, 0 }; const Vector3ub green = { 0, 255, 0 }; const Vector3ub blue = { 0, 0, 255 }; CrystalScene::CrystalScene(QObject* p) : ScenePlugin(p), m_setupWidget(nullptr) { m_layerManager = QtGui::PluginLayerManager(m_name); QSettings settings; m_lineWidth = settings.value("crystal/lineWidth", 2.0).toDouble(); auto color = settings.value("crystal/color", QColor(Qt::white)).value(); m_color[0] = static_cast(color.red()); m_color[1] = static_cast(color.green()); m_color[2] = static_cast(color.blue()); m_multiColor = settings.value("crystal/multiColor", true).toBool(); } CrystalScene::~CrystalScene() {} void CrystalScene::process(const QtGui::Molecule& molecule, GroupNode& node) { if (const UnitCell* cell = molecule.unitCell()) { auto* geometry = new GeometryNode; node.addChild(geometry); auto* lines = new LineStripGeometry; geometry->addDrawable(lines); lines->setColor(m_color); auto color = m_color; float width = m_lineWidth; Vector3f a = cell->aVector().cast(); Vector3f b = cell->bVector().cast(); Vector3f c = cell->cVector().cast(); Vector3f vertex(Vector3f::Zero()); Array strip; // draw the a axis strip.reserve(5); strip.push_back(vertex); strip.push_back(vertex + a); if (!m_multiColor) lines->addLineStrip(strip, color, width); else // a axis is R-G-B lines->addLineStrip(strip, red, width); // now the b-axis strip.clear(); strip.push_back(vertex); strip.push_back(vertex + b); if (!m_multiColor) lines->addLineStrip(strip, color, width); else // b axis is R-G-B lines->addLineStrip(strip, green, width); // now the rest of the ab plane strip.clear(); strip.push_back(vertex + a); strip.push_back(vertex + a + b); strip.push_back(vertex + b); lines->addLineStrip(strip, width); // now the ab plane "up" by axis c strip.clear(); strip.push_back(vertex + c); strip.push_back(vertex + a + c); strip.push_back(vertex + a + b + c); strip.push_back(vertex + b + c); strip.push_back(vertex + c); lines->addLineStrip(strip, width); // now the c axis strip.resize(2); strip[0] = Vector3f::Zero(); strip[1] = c; if (!m_multiColor) lines->addLineStrip(strip, color, width); else // c axis is R-G-B lines->addLineStrip(strip, blue, width); // now the remaining "struts" from ab plane along c axis strip[0] += a; strip[1] += a; lines->addLineStrip(strip, width); strip[0] += b; strip[1] += b; lines->addLineStrip(strip, width); strip[0] -= a; strip[1] -= a; lines->addLineStrip(strip, width); } } void CrystalScene::setLineWidth(double width) { m_lineWidth = width; emit drawablesChanged(); QSettings settings; settings.setValue("crystal/lineWidth", width); } void CrystalScene::setColor(const QColor& color) { m_color[0] = static_cast(color.red()); m_color[1] = static_cast(color.green()); m_color[2] = static_cast(color.blue()); emit drawablesChanged(); QSettings settings; settings.setValue("crystal/color", color); } void CrystalScene::setMultiColor(bool multiColor) { m_multiColor = multiColor; emit drawablesChanged(); QSettings settings; settings.setValue("crystal/multiColor", multiColor); } QWidget* CrystalScene::setupWidget() { if (!m_setupWidget) { m_setupWidget = new QWidget(qobject_cast(parent())); auto* v = new QVBoxLayout; // line width auto* spin = new QDoubleSpinBox; spin->setRange(0.5, 5.0); spin->setSingleStep(0.25); spin->setDecimals(2); spin->setValue(m_lineWidth); connect(spin, SIGNAL(valueChanged(double)), SLOT(setLineWidth(double))); auto* form = new QFormLayout; form->addRow(tr("Line width:"), spin); auto* multiColor = new QCheckBox; multiColor->setChecked(m_multiColor); form->addRow(tr("Color axes:"), multiColor); connect(multiColor, SIGNAL(toggled(bool)), SLOT(setMultiColor(bool))); auto* color = new QtGui::ColorButton; connect(color, SIGNAL(colorChanged(const QColor&)), SLOT(setColor(const QColor&))); form->addRow(tr("Line color:"), color); v->addLayout(form); v->addStretch(1); m_setupWidget->setLayout(v); } return m_setupWidget; } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/crystal/crystalscene.h000066400000000000000000000026621474375334400245320ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_CRYSTALSCENE_H #define AVOGADRO_QTPLUGINS_CRYSTALSCENE_H #include #include #include namespace Avogadro { namespace QtPlugins { /** * @brief Render the unit cell boundaries. */ class CrystalScene : public QtGui::ScenePlugin { Q_OBJECT public: explicit CrystalScene(QObject* parent = nullptr); ~CrystalScene() override; void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; QString name() const override { return tr("Crystal Lattice"); } QString description() const override { return tr("Render the unit cell boundaries."); } QWidget* setupWidget() override; bool hasSetupWidget() const override { return true; } private slots: void setColor(const QColor& color); void setLineWidth(double width); void setMultiColor(bool multiColor); private: std::string m_name = "Crystal Lattice"; QWidget* m_setupWidget; float m_lineWidth; Vector3ub m_color; bool m_multiColor; }; } // end namespace QtPlugins } // end namespace Avogadro #endif // AVOGADRO_QTPLUGINS_CRYSTALSCENE_H avogadrolibs-1.100.0/avogadro/qtplugins/crystal/importcrystaldialog.cpp000066400000000000000000000037421474375334400264620ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "importcrystaldialog.h" #include "ui_importcrystaldialog.h" #include #include #include #include #include #include using std::string; namespace Avogadro::QtPlugins { ImportCrystalDialog::ImportCrystalDialog(QWidget* p) : QDialog(p), m_ui(new Ui::ImportCrystalDialog) { m_ui->setupUi(this); } ImportCrystalDialog::~ImportCrystalDialog() { delete m_ui; } bool ImportCrystalDialog::importCrystalClipboard(Avogadro::Core::Molecule& mol) { QString text = QApplication::clipboard()->text(); m_ui->edit_text->setText(text); // If the user rejected, just return false if (this->exec() == QDialog::Rejected) return false; // Use POSCAR format by default. If the extension was set, use that instead std::string ext = m_ui->edit_extension->text().toStdString(); if (ext.empty()) ext = "POSCAR"; // Update the text text = m_ui->edit_text->toPlainText(); std::stringstream s(text.toStdString()); if (Io::FileFormatManager::instance().readString(mol, s.str(), ext)) return true; // Print out the error messages from the read if we failed if (!Io::FileFormatManager::instance().error().empty()) { qDebug() << "FileFormatManager error message:" << QString::fromStdString( Io::FileFormatManager::instance().error()); } displayInvalidFormatMessage(); return false; } void ImportCrystalDialog::displayInvalidFormatMessage() { QMessageBox::critical( this, tr("Cannot Parse Text"), tr("Failed to read the data with the supplied format.")); reject(); close(); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/crystal/importcrystaldialog.h000066400000000000000000000022631474375334400261240ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_IMPORTCRYSTALDIALOG_H #define AVOGADRO_QTPLUGINS_IMPORTCRYSTALDIALOG_H #include #include namespace Avogadro { namespace Core { class Molecule; } namespace QtPlugins { namespace Ui { class ImportCrystalDialog; } /** * @brief The ImportCrystalDialog class provides a dialog for importing * a crystal from the clipboard. */ class ImportCrystalDialog : public QDialog { Q_OBJECT public: ImportCrystalDialog(QWidget* p = nullptr); ~ImportCrystalDialog() override; // Avogadro::Core::Molecule is required for the format function bool importCrystalClipboard(Avogadro::Core::Molecule& mol); void displayInvalidFormatMessage(); private: AVO_DISABLE_COPY(ImportCrystalDialog) Ui::ImportCrystalDialog* m_ui; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_IMPORTCRYSTALDIALOG_H avogadrolibs-1.100.0/avogadro/qtplugins/crystal/importcrystaldialog.ui000066400000000000000000000040501474375334400263060ustar00rootroot00000000000000 Avogadro::QtPlugins::ImportCrystalDialog 0 0 400 300 Import Crystal File extension for Open Babel conversion (default - Avogadro::POSCAR): edit_extension Qt::Horizontal QDialogButtonBox::Cancel|QDialogButtonBox::Ok buttonBox accepted() Avogadro::QtPlugins::ImportCrystalDialog accept() 248 254 157 274 buttonBox rejected() Avogadro::QtPlugins::ImportCrystalDialog reject() 316 260 286 274 avogadrolibs-1.100.0/avogadro/qtplugins/crystal/supercelldialog.cpp000066400000000000000000000024141474375334400255370ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "supercelldialog.h" #include "ui_supercelldialog.h" #include #include #include #include namespace Avogadro::QtPlugins { SupercellDialog::SupercellDialog(QWidget* p) : QDialog(p), m_ui(new Ui::SupercellDialog) { m_ui->setupUi(this); } SupercellDialog::~SupercellDialog() { delete m_ui; } bool SupercellDialog::buildSupercell(Avogadro::QtGui::Molecule& mol) { // If the user rejected, just return false if (this->exec() == QDialog::Rejected) return false; // Read the values unsigned int a = m_ui->aCellSpinBox->value(); unsigned int b = m_ui->bCellSpinBox->value(); unsigned int c = m_ui->cCellSpinBox->value(); // No need to do anything if all the values are one if (a == 1 && b == 1 && c == 1) return true; // Run the supercell-building tool mol.undoMolecule()->buildSupercell(a, b, c); return true; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/crystal/supercelldialog.h000066400000000000000000000021001474375334400251740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SUPERCELLDIALOG_H #define AVOGADRO_QTPLUGINS_SUPERCELLDIALOG_H #include #include namespace Avogadro { namespace QtGui { class Molecule; } namespace QtPlugins { namespace Ui { class SupercellDialog; } /** * @brief The SupercellDialog class provides a dialog for * building a supercell from a crystal. */ class SupercellDialog : public QDialog { Q_OBJECT public: SupercellDialog(QWidget* p = nullptr); ~SupercellDialog() override; bool buildSupercell(Avogadro::QtGui::Molecule& mol); void displayInvalidFormatMessage(); private: AVO_DISABLE_COPY(SupercellDialog) Ui::SupercellDialog* m_ui; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_SUPERCELLDIALOG_H avogadrolibs-1.100.0/avogadro/qtplugins/crystal/supercelldialog.ui000066400000000000000000000064721474375334400254020ustar00rootroot00000000000000 Avogadro::QtPlugins::SupercellDialog 0 0 324 188 Supercell Parameters Super Cell Options A repeat: 1 B repeat: 1 C repeat: 1 QDialogButtonBox::Cancel|QDialogButtonBox::Ok Qt::Vertical 20 0 ok_cancel_bb accepted() Avogadro::QtPlugins::SupercellDialog accept() 161 159 161 93 ok_cancel_bb rejected() Avogadro::QtPlugins::SupercellDialog reject() 161 159 161 93 avogadrolibs-1.100.0/avogadro/qtplugins/crystal/unitcelldialog.cpp000066400000000000000000000230611474375334400253610ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "unitcelldialog.h" #include "ui_unitcelldialog.h" #include #include #include #include #include #include using Avogadro::QtGui::Molecule; namespace { // Matrix formatting: const int MATRIX_WIDTH = 9; const int MATRIX_PREC = 5; const char MATRIX_FMT = 'f'; // Valid value separators in matrix editors: const static QRegularExpression MATRIX_SEP( R"(\s|,|;|\||\[|\]|\{|\}|\(|\)|\&|/|<|>)"); } namespace Avogadro::QtPlugins { UnitCellDialog::UnitCellDialog(QWidget* p) : QDialog(p), m_ui(new Ui::UnitCellDialog), m_molecule(nullptr), m_mode(Invalid) { m_ui->setupUi(this); connect(m_ui->a, SIGNAL(valueChanged(double)), SLOT(parametersEdited())); connect(m_ui->b, SIGNAL(valueChanged(double)), SLOT(parametersEdited())); connect(m_ui->c, SIGNAL(valueChanged(double)), SLOT(parametersEdited())); connect(m_ui->alpha, SIGNAL(valueChanged(double)), SLOT(parametersEdited())); connect(m_ui->beta, SIGNAL(valueChanged(double)), SLOT(parametersEdited())); connect(m_ui->gamma, SIGNAL(valueChanged(double)), SLOT(parametersEdited())); connect(m_ui->cellMatrix, SIGNAL(textChanged()), SLOT(cellMatrixEdited())); connect(m_ui->fractionalMatrix, SIGNAL(textChanged()), SLOT(fractionalMatrixEdited())); connect(m_ui->apply, SIGNAL(clicked()), SLOT(apply())); connect(m_ui->revert, SIGNAL(clicked()), SLOT(revert())); } UnitCellDialog::~UnitCellDialog() { delete m_ui; } void UnitCellDialog::setMolecule(QtGui::Molecule* molecule) { if (molecule != m_molecule) { if (m_molecule) m_molecule->disconnect(this); m_molecule = molecule; if (m_molecule) connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint))); revert(); } } void UnitCellDialog::moleculeChanged(unsigned int changes) { if (changes & Molecule::UnitCell) revert(); } void UnitCellDialog::parametersEdited() { setMode(Parameters); updateParameters(); revertCellMatrix(); revertFractionalMatrix(); } void UnitCellDialog::cellMatrixEdited() { setMode(CellMatrix); if (validateCellMatrix()) { updateCellMatrix(); revertParameters(); revertFractionalMatrix(); enableApply(true); } else { enableApply(false); } } void UnitCellDialog::fractionalMatrixEdited() { setMode(FractionalMatrix); if (validateFractionalMatrix()) { updateFractionalMatrix(); revertParameters(); revertCellMatrix(); enableApply(true); } else { enableApply(false); } } void UnitCellDialog::apply() { if (!isCrystal()) { revert(); return; } switch (m_mode) { case Invalid: case Clean: revert(); break; default: { Core::CrystalTools::Options options = Core::CrystalTools::None; if (m_ui->transformAtoms->isChecked()) options |= Core::CrystalTools::TransformAtoms; m_molecule->undoMolecule()->editUnitCell(m_tempCell.cellMatrix(), options); break; } } } void UnitCellDialog::revert() { if (isCrystal()) m_tempCell = *m_molecule->unitCell(); revertParameters(); revertCellMatrix(); validateCellMatrix(); revertFractionalMatrix(); validateFractionalMatrix(); setMode(isCrystal() ? Clean : Invalid); } bool UnitCellDialog::isCrystal() const { return m_molecule && m_molecule->unitCell(); } void UnitCellDialog::setMode(UnitCellDialog::Mode m) { if (m != m_mode) { m_mode = m; enableParameters(m == Clean || m == Parameters); enableCellMatrix(m == Clean || m == CellMatrix); enableFractionalMatrix(m == Clean || m == FractionalMatrix); enableApply(m != Clean && m != Invalid); enableRevert(m != Clean && m != Invalid); } } void UnitCellDialog::enableParameters(bool e) { m_ui->a->setEnabled(e); m_ui->b->setEnabled(e); m_ui->c->setEnabled(e); m_ui->alpha->setEnabled(e); m_ui->beta->setEnabled(e); m_ui->gamma->setEnabled(e); } void UnitCellDialog::enableCellMatrix(bool e) { m_ui->cellMatrix->setEnabled(e); } void UnitCellDialog::enableFractionalMatrix(bool e) { m_ui->fractionalMatrix->setEnabled(e); } void UnitCellDialog::enableApply(bool e) { m_ui->apply->setEnabled(e); } void UnitCellDialog::enableRevert(bool e) { m_ui->revert->setEnabled(e); } void UnitCellDialog::blockParametersSignals(bool e) { m_ui->a->blockSignals(e); m_ui->b->blockSignals(e); m_ui->c->blockSignals(e); m_ui->alpha->blockSignals(e); m_ui->beta->blockSignals(e); m_ui->gamma->blockSignals(e); } void UnitCellDialog::blockCellMatrixSignals(bool e) { m_ui->cellMatrix->blockSignals(e); } void UnitCellDialog::blockFractionalMatrixSignals(bool e) { m_ui->fractionalMatrix->blockSignals(e); } void UnitCellDialog::revertParameters() { blockParametersSignals(true); if (isCrystal()) { m_ui->a->setValue(static_cast(m_tempCell.a())); m_ui->b->setValue(static_cast(m_tempCell.b())); m_ui->c->setValue(static_cast(m_tempCell.c())); m_ui->alpha->setValue(static_cast(m_tempCell.alpha() * RAD_TO_DEG)); m_ui->beta->setValue(static_cast(m_tempCell.beta() * RAD_TO_DEG)); m_ui->gamma->setValue(static_cast(m_tempCell.gamma() * RAD_TO_DEG)); } else { enableParameters(false); m_ui->a->setValue(3.); m_ui->b->setValue(3.); m_ui->c->setValue(3.); m_ui->alpha->setValue(90.); m_ui->beta->setValue(90.); m_ui->gamma->setValue(90.); } blockParametersSignals(false); } void UnitCellDialog::revertCellMatrix() { blockCellMatrixSignals(true); if (isCrystal()) { m_ui->cellMatrix->setPlainText(matrixToString(m_tempCell.cellMatrix())); } else { enableCellMatrix(false); m_ui->cellMatrix->setPlainText(tr("No unit cell present.")); } blockCellMatrixSignals(false); } void UnitCellDialog::revertFractionalMatrix() { blockFractionalMatrixSignals(true); if (isCrystal()) { m_ui->fractionalMatrix->setPlainText( matrixToString(m_tempCell.fractionalMatrix())); } else { enableFractionalMatrix(false); m_ui->fractionalMatrix->setPlainText(tr("No unit cell present.")); } blockFractionalMatrixSignals(false); } void UnitCellDialog::updateParameters() { m_tempCell.setCellParameters( static_cast(m_ui->a->value()), static_cast(m_ui->b->value()), static_cast(m_ui->c->value()), static_cast(m_ui->alpha->value()) * DEG_TO_RAD, static_cast(m_ui->beta->value()) * DEG_TO_RAD, static_cast(m_ui->gamma->value()) * DEG_TO_RAD); } void UnitCellDialog::updateCellMatrix() { m_tempCell.setCellMatrix(stringToMatrix(m_ui->cellMatrix->toPlainText())); } void UnitCellDialog::updateFractionalMatrix() { m_tempCell.setFractionalMatrix( stringToMatrix(m_ui->fractionalMatrix->toPlainText())); } bool UnitCellDialog::validateCellMatrix() { return validateMatrixEditor(m_ui->cellMatrix); } bool UnitCellDialog::validateFractionalMatrix() { return validateMatrixEditor(m_ui->fractionalMatrix); } void UnitCellDialog::initializeMatrixEditor(QPlainTextEdit* edit) { #if defined(Q_OS_WIN) || defined(Q_OS_OSX) QFont font("Courier"); #else QFont font("Monospace"); #endif edit->setFont(font); QFontMetrics metrics(font); int minWidth = 3 * metrics.horizontalAdvance('0') * (MATRIX_WIDTH + 1); int minHeight = metrics.lineSpacing() * 3; edit->setSizePolicy(QSizePolicy::Minimum, QSizePolicy::Minimum); edit->setMinimumSize(minWidth, minHeight); } bool UnitCellDialog::validateMatrixEditor(QPlainTextEdit* edit) { bool valid = stringToMatrix(edit->toPlainText()) != Matrix3::Zero(); QPalette pal = edit->palette(); pal.setColor(QPalette::Text, valid ? Qt::black : Qt::red); edit->setPalette(pal); return valid; } QString UnitCellDialog::matrixToString(const Matrix3& mat) { // Transpose into the more intuitive row-vector format. return QString("%1 %2 %3\n%4 %5 %6\n%7 %8 %9") .arg(static_cast(mat(0, 0)), MATRIX_WIDTH, MATRIX_FMT, MATRIX_PREC) .arg(static_cast(mat(1, 0)), MATRIX_WIDTH, MATRIX_FMT, MATRIX_PREC) .arg(static_cast(mat(2, 0)), MATRIX_WIDTH, MATRIX_FMT, MATRIX_PREC) .arg(static_cast(mat(0, 1)), MATRIX_WIDTH, MATRIX_FMT, MATRIX_PREC) .arg(static_cast(mat(1, 1)), MATRIX_WIDTH, MATRIX_FMT, MATRIX_PREC) .arg(static_cast(mat(2, 1)), MATRIX_WIDTH, MATRIX_FMT, MATRIX_PREC) .arg(static_cast(mat(0, 2)), MATRIX_WIDTH, MATRIX_FMT, MATRIX_PREC) .arg(static_cast(mat(1, 2)), MATRIX_WIDTH, MATRIX_FMT, MATRIX_PREC) .arg(static_cast(mat(2, 2)), MATRIX_WIDTH, MATRIX_FMT, MATRIX_PREC); } Matrix3 UnitCellDialog::stringToMatrix(const QString& str) { Matrix3 result; QStringList lines = str.split('\n'); if (lines.size() != 3) return Matrix3::Zero(); bool ok; int row = 0; int col = 0; foreach (const QString& line, lines) { QStringList values = line.split(MATRIX_SEP, Qt::SkipEmptyParts); if (values.size() != 3) return Matrix3::Zero(); foreach (const QString& value, values) { Real val = static_cast(value.toDouble(&ok)); if (!ok) return Matrix3::Zero(); // Transpose from the more intuitive row-vector format. result(col++, row) = val; } row++; col = 0; } return result; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/crystal/unitcelldialog.h000066400000000000000000000044121474375334400250250ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_UNITCELLDIALOG_H #define AVOGADRO_QTPLUGINS_UNITCELLDIALOG_H #include #include #include #include class QPlainTextEdit; namespace Avogadro { namespace QtGui { class Molecule; } namespace QtPlugins { namespace Ui { class UnitCellDialog; } /** * @brief The UnitCellDialog class provides a dialog for editing a molecule's * unit cell. */ class UnitCellDialog : public QDialog { Q_OBJECT public: enum Mode { Clean, Invalid, Parameters, CellMatrix, FractionalMatrix }; explicit UnitCellDialog(QWidget* parent = nullptr); ~UnitCellDialog() override; void setMolecule(QtGui::Molecule* molecule); public slots: void moleculeChanged(unsigned int changes); void parametersEdited(); void cellMatrixEdited(); void fractionalMatrixEdited(); void apply(); void revert(); private: bool isCrystal() const; void setMode(Mode m); void enableParameters(bool e); void enableCellMatrix(bool e); void enableFractionalMatrix(bool e); void enableApply(bool e); void enableRevert(bool e); void blockParametersSignals(bool e); void blockCellMatrixSignals(bool e); void blockFractionalMatrixSignals(bool e); // m_tempCell --> ui void revertParameters(); void revertCellMatrix(); void revertFractionalMatrix(); // ui --> m_tempCell void updateParameters(); void updateCellMatrix(); void updateFractionalMatrix(); bool validateCellMatrix(); bool validateFractionalMatrix(); static void initializeMatrixEditor(QPlainTextEdit* edit); static bool validateMatrixEditor(QPlainTextEdit* edit); static QString matrixToString(const Matrix3& mat); static Matrix3 stringToMatrix(const QString& str); private: Ui::UnitCellDialog* m_ui; QtGui::Molecule* m_molecule; Core::UnitCell m_tempCell; Mode m_mode; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_UNITCELLDIALOG_H avogadrolibs-1.100.0/avogadro/qtplugins/crystal/unitcelldialog.ui000066400000000000000000000233661474375334400252240ustar00rootroot00000000000000 Avogadro::QtPlugins::UnitCellDialog 0 0 334 431 Unit Cell Editor QFormLayout::AllNonFixedFieldsGrow A: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter Å 5 0.010000000000000 1000000.000000000000000 0.100000000000000 3.000000000000000 B: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter Å 5 0.010000000000000 1000000.000000000000000 0.100000000000000 3.000000000000000 C: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter Å 5 0.010000000000000 1000000.000000000000000 0.100000000000000 3.000000000000000 QFormLayout::AllNonFixedFieldsGrow α: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter β: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter γ: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter ° 5 5.000000000000000 175.000000000000000 90.000000000000000 ° 5 5.000000000000000 175.000000000000000 90.000000000000000 ° 5 5.000000000000000 175.000000000000000 90.000000000000000 Qt::Horizontal Cell Matrix: Qt::Horizontal Fractional Matrix: Qt::Vertical 20 54 Qt::Horizontal &Transform Atoms Qt::Horizontal 40 20 &Apply &Revert &Hide a b c alpha beta gamma cellMatrix fractionalMatrix apply revert pushButton clicked() Avogadro::QtPlugins::UnitCellDialog hide() 309 404 325 372 avogadrolibs-1.100.0/avogadro/qtplugins/crystal/volumescalingdialog.cpp000066400000000000000000000031241474375334400264100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the MoleQueue project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "volumescalingdialog.h" #include "ui_volumescalingdialog.h" namespace Avogadro::QtPlugins { VolumeScalingDialog::VolumeScalingDialog(QWidget* p) : QDialog(p), m_ui(new Ui::VolumeScalingDialog), m_currentVolume(0.) { m_ui->setupUi(this); connect(m_ui->newVolume, SIGNAL(valueChanged(double)), SLOT(volumeEdited())); connect(m_ui->scalingFactor, SIGNAL(valueChanged(double)), SLOT(factorEdited())); } VolumeScalingDialog::~VolumeScalingDialog() { delete m_ui; } void VolumeScalingDialog::setCurrentVolume(double vol) { m_currentVolume = vol; m_ui->currentVolume->setText(QString::number(vol, 'f', 5)); m_ui->newVolume->setValue(vol); } double VolumeScalingDialog::newVolume() const { return m_ui->newVolume->value(); } bool VolumeScalingDialog::transformAtoms() const { return m_ui->transformAtoms->isChecked(); } void VolumeScalingDialog::volumeEdited() { double v = m_ui->newVolume->value(); m_ui->scalingFactor->blockSignals(true); m_ui->scalingFactor->setValue(v / m_currentVolume); m_ui->scalingFactor->blockSignals(false); } void VolumeScalingDialog::factorEdited() { double f = m_ui->scalingFactor->value(); m_ui->newVolume->blockSignals(true); m_ui->newVolume->setValue(m_currentVolume * f); m_ui->newVolume->blockSignals(false); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/crystal/volumescalingdialog.h000066400000000000000000000021611474375334400260550ustar00rootroot00000000000000/****************************************************************************** This source file is part of the MoleQueue project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_VOLUMESCALINGDIALOG_H #define AVOGADRO_QTPLUGINS_VOLUMESCALINGDIALOG_H #include namespace Avogadro { namespace QtPlugins { namespace Ui { class VolumeScalingDialog; } /** * @brief The VolumeScalingDialog class provides a dialog with options for * adjusting the volume of a Molecule's UnitCell. */ class VolumeScalingDialog : public QDialog { Q_OBJECT public: explicit VolumeScalingDialog(QWidget* parent = nullptr); ~VolumeScalingDialog() override; void setCurrentVolume(double vol); double newVolume() const; bool transformAtoms() const; private slots: void volumeEdited(); void factorEdited(); private: Ui::VolumeScalingDialog* m_ui; double m_currentVolume; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_VOLUMESCALINGDIALOG_H avogadrolibs-1.100.0/avogadro/qtplugins/crystal/volumescalingdialog.ui000066400000000000000000000116371474375334400262530ustar00rootroot00000000000000 Avogadro::QtPlugins::VolumeScalingDialog 0 0 348 151 Scale Unit Cell Volume Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter New &Volume: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter newVolume &Scaling Factor: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter scalingFactor Current Volume: TextLabel 5 0.010000000000000 9999999.000000000000000 5 0.000010000000000 999999.999990000040270 0.100000000000000 1.000000000000000 Qt::Vertical 20 40 &Transform Atoms Qt::Horizontal 40 20 Qt::Horizontal QDialogButtonBox::Cancel|QDialogButtonBox::Ok newVolume scalingFactor transformAtoms buttonBox buttonBox accepted() Avogadro::QtPlugins::VolumeScalingDialog accept() 374 222 157 274 buttonBox rejected() Avogadro::QtPlugins::VolumeScalingDialog reject() 385 228 286 274 avogadrolibs-1.100.0/avogadro/qtplugins/customelements/000077500000000000000000000000001474375334400232425ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/customelements/CMakeLists.txt000066400000000000000000000002531474375334400260020ustar00rootroot00000000000000avogadro_plugin(CustomElements "Manipulate custom element types in the current molecule." ExtensionPlugin customelements.h CustomElements "customelements.cpp" ) avogadrolibs-1.100.0/avogadro/qtplugins/customelements/customelements.cpp000066400000000000000000000037611474375334400270240ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "customelements.h" #include #include #include using Avogadro::QtGui::Molecule; namespace Avogadro::QtPlugins { CustomElements::CustomElements(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_molecule(nullptr), m_reassignAction(new QAction(tr("Reassign &Custom Elements…"), this)) { connect(m_reassignAction, SIGNAL(triggered()), SLOT(reassign())); updateReassignAction(); } CustomElements::~CustomElements() { } QString CustomElements::description() const { return tr("Manipulate custom element types in the current molecule."); } QList CustomElements::actions() const { return QList() << m_reassignAction; } QStringList CustomElements::menuPath(QAction*) const { return QStringList() << tr("&Build"); } void CustomElements::setMolecule(QtGui::Molecule* mol) { if (m_molecule != mol) { if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; if (m_molecule) connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint))); updateReassignAction(); } } void CustomElements::moleculeChanged(unsigned int c) { auto changes = static_cast(c); if (changes & Molecule::Atoms && (changes & (Molecule::Added | Molecule::Modified))) { updateReassignAction(); } } void CustomElements::reassign() { if (m_molecule) { QtGui::CustomElementDialog::resolve(qobject_cast(parent()), *m_molecule); } } void CustomElements::updateReassignAction() { m_reassignAction->setEnabled(m_molecule && m_molecule->hasCustomElements()); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/customelements/customelements.h000066400000000000000000000023461474375334400264670ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_CUSTOMELEMENTS_H #define AVOGADRO_QTPLUGINS_CUSTOMELEMENTS_H #include namespace Avogadro { namespace QtPlugins { /** * @brief Manipulate custom element types in the current molecule. */ class CustomElements : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit CustomElements(QObject* parent_ = nullptr); ~CustomElements() override; QString name() const override { return tr("Custom Elements"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; private slots: void moleculeChanged(unsigned int changes); void reassign(); private: QtGui::Molecule* m_molecule; QAction* m_reassignAction; void updateReassignAction(); }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_CUSTOMELEMENTS_H avogadrolibs-1.100.0/avogadro/qtplugins/dipole/000077500000000000000000000000001474375334400214475ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/dipole/CMakeLists.txt000066400000000000000000000002621474375334400242070ustar00rootroot00000000000000avogadro_plugin(Dipole "Dipole rendering scheme" ScenePlugin dipole.h Dipole dipole.cpp "") target_link_libraries(Dipole PRIVATE Avogadro::Calc Avogadro::Rendering) avogadrolibs-1.100.0/avogadro/qtplugins/dipole/dipole.cpp000066400000000000000000000052661474375334400234400ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "dipole.h" #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using QtGui::Molecule; using Rendering::ArrowGeometry; using Rendering::GeometryNode; using Rendering::GroupNode; Dipole::Dipole(QObject* p) : ScenePlugin(p) { m_layerManager = QtGui::PluginLayerManager(m_name); } Dipole::~Dipole() {} void Dipole::process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) { // check if the molecule is empty // (single atoms don't have a dipole moment) if (molecule.atomCount() < 0) return; // check if the molecule has the dipole set if (!m_customDipole) { if (molecule.hasData("dipoleMoment")) { m_dipoleVector = molecule.data("dipoleMoment").toVector3(); } else { // connect to molecule changes connect(&molecule, &QtGui::Molecule::update, this, &Dipole::updateDipole); connect(&molecule, SIGNAL(changed(unsigned int)), SLOT(updateDipole())); } } else { // custom dipole moment set m_dipoleVector = m_customDipoleVector; } // okay if we have all that, set up the arrow auto* geometry = new GeometryNode; node.addChild(geometry); auto* arrow = new ArrowGeometry; arrow->identifier().molecule = &molecule; arrow->setColor(Vector3ub(255, 0, 0)); geometry->addDrawable(arrow); Vector3f origin = Vector3f::Zero(); arrow->addSingleArrow(m_dipoleVector.cast(), origin); } void Dipole::updateFinished() { m_updateNeeded = true; emit drawablesChanged(); } void Dipole::updateDipole() { QtGui::Molecule* molecule = qobject_cast(sender()); if (molecule == nullptr || molecule->isInteractive()) return; // if the molecule has a dipole moment set, use it if (molecule->hasData("dipoleMoment")) return; // otherwise, calculate it if (m_updateNeeded) { m_updateNeeded = false; m_dipoleVector = Calc::ChargeManager::instance().dipoleMoment(m_type, *molecule); // single-shot QTimer::singleShot(0, this, SLOT(updateFinished())); } } QWidget* Dipole::setupWidget() { return nullptr; } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/dipole/dipole.h000066400000000000000000000030331474375334400230730ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_DIPOLE_H #define AVOGADRO_QTPLUGINS_DIPOLE_H #include #include namespace Avogadro { namespace QtPlugins { /** * @brief Render a molecule dipole moment arrow */ class Dipole : public QtGui::ScenePlugin { Q_OBJECT public: explicit Dipole(QObject* parent = nullptr); ~Dipole() override; void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; QString name() const override { return tr("Dipole Moment"); } QString description() const override { return tr("Render the dipole moment of the molecule."); } DefaultBehavior defaultBehavior() const override { return DefaultBehavior::False; } QWidget* setupWidget() override; bool hasSetupWidget() const override { return false; } public slots: void updateDipole(); void updateFinished(); private: std::string m_name = "Dipole Moment"; std::string m_type = "MMFF94"; std::vector m_types; Vector3 m_dipoleVector; Vector3 m_customDipoleVector; bool m_customDipole = false; // Custom dipole moment set bool m_updateNeeded = true; }; } // end namespace QtPlugins } // end namespace Avogadro #endif // AVOGADRO_QTPLUGINS_FORCE_H avogadrolibs-1.100.0/avogadro/qtplugins/editor/000077500000000000000000000000001474375334400214615ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/editor/CMakeLists.txt000066400000000000000000000004711474375334400242230ustar00rootroot00000000000000set(editor_srcs editor.cpp editortoolwidget.cpp ) set(editor_uis editortoolwidget.ui ) set(editor_rcs editor.qrc ) avogadro_plugin(Editor "Editor tool" ToolPlugin editor.h Editor "${editor_srcs}" "${editor_uis}" "${editor_rcs}" ) target_link_libraries(Editor PRIVATE Avogadro::QtOpenGL) avogadrolibs-1.100.0/avogadro/qtplugins/editor/editor.cpp000066400000000000000000000533241474375334400234620ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "editor.h" #include "editortoolwidget.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace { const unsigned char INVALID_ATOMIC_NUMBER = std::numeric_limits::max(); } namespace Avogadro::QtPlugins { using QtGui::Molecule; using QtGui::RWAtom; using QtGui::RWBond; using Avogadro::Core::Elements; using Avogadro::Rendering::GeometryNode; using Avogadro::Rendering::GroupNode; using Avogadro::Rendering::Identifier; using Avogadro::Rendering::TextLabel2D; using Avogadro::Rendering::TextProperties; Editor::Editor(QObject* parent_) : QtGui::ToolPlugin(parent_), m_activateAction(new QAction(this)), m_molecule(nullptr), m_glWidget(nullptr), m_renderer(nullptr), m_toolWidget(new EditorToolWidget(qobject_cast(parent_))), m_pressedButtons(Qt::NoButton), m_clickedAtomicNumber(INVALID_ATOMIC_NUMBER), m_bondAdded(false), m_fixValenceLater(false), m_layerManager("Editor") { QString shortcut = tr("Ctrl+2", "control-key 2"); m_activateAction->setText(tr("Draw")); m_activateAction->setToolTip( tr("Draw Tool \t(%1)\n\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom") .arg(shortcut)); setIcon(); reset(); } Editor::~Editor() {} void Editor::setIcon(bool darkTheme) { if (darkTheme) m_activateAction->setIcon(QIcon(":/icons/editor_dark.svg")); else m_activateAction->setIcon(QIcon(":/icons/editor_light.svg")); } QWidget* Editor::toolWidget() const { return m_toolWidget; } QUndoCommand* Editor::mousePressEvent(QMouseEvent* e) { clearKeyPressBuffer(); if (!m_renderer || !m_molecule) return nullptr; updatePressedButtons(e, false); m_clickPosition = e->pos(); if (m_pressedButtons & Qt::LeftButton) { m_clickedObject = m_renderer->hit(e->pos().x(), e->pos().y()); if (m_layerManager.activeLayerLocked()) { e->accept(); return nullptr; } switch (m_clickedObject.type) { case Rendering::InvalidType: m_molecule->beginMergeMode(tr("Draw Atom")); emptyLeftClick(e); return nullptr; case Rendering::AtomType: // We don't know yet if we are drawing a bond/atom or replacing an atom // unfortunately... m_molecule->beginMergeMode(tr("Draw")); atomLeftClick(e); return nullptr; case Rendering::BondType: m_molecule->beginMergeMode(tr("Change Bond Type")); bondLeftClick(e); return nullptr; } } else if (m_pressedButtons & Qt::RightButton) { m_clickedObject = m_renderer->hit(e->pos().x(), e->pos().y()); switch (m_clickedObject.type) { case Rendering::AtomType: m_molecule->beginMergeMode(tr("Remove Atom")); atomRightClick(e); return nullptr; case Rendering::BondType: m_molecule->beginMergeMode(tr("Remove Bond")); bondRightClick(e); return nullptr; default: break; } } return nullptr; } QUndoCommand* Editor::mouseReleaseEvent(QMouseEvent* e) { if (!m_renderer || !m_molecule) return nullptr; if (m_layerManager.activeLayerLocked()) { e->accept(); return nullptr; } updatePressedButtons(e, true); if (m_clickedObject.type == Rendering::InvalidType) return nullptr; switch (e->button()) { case Qt::LeftButton: case Qt::RightButton: reset(); e->accept(); m_molecule->endMergeMode(); // Let's cover all possible changes - the undo stack won't update // without this m_molecule->emitChanged(Molecule::Atoms | Molecule::Bonds | Molecule::Added | Molecule::Removed | Molecule::Modified); break; default: break; } return nullptr; } QUndoCommand* Editor::mouseMoveEvent(QMouseEvent* e) { if (!m_renderer) return nullptr; if (m_pressedButtons & Qt::LeftButton) if (m_clickedObject.type == Rendering::AtomType) { if (m_layerManager.activeLayerLocked()) { e->accept(); return nullptr; } atomLeftDrag(e); } return nullptr; } QUndoCommand* Editor::keyPressEvent(QKeyEvent* e) { if (e->text().isEmpty()) return nullptr; e->accept(); if (m_layerManager.activeLayerLocked()) { return nullptr; } // Set a timer to clear the buffer on first keypress: if (m_keyPressBuffer.isEmpty()) QTimer::singleShot(2000, this, SLOT(clearKeyPressBuffer())); m_keyPressBuffer.append(m_keyPressBuffer.isEmpty() ? e->text().toUpper() : e->text().toLower()); if (m_keyPressBuffer.size() >= 3) { clearKeyPressBuffer(); return nullptr; } bool ok = false; int atomicNum; int bondOrder = m_keyPressBuffer.toInt(&ok); if (ok && bondOrder > 0 && bondOrder <= 4) { m_toolWidget->setBondOrder(static_cast(bondOrder)); } else { atomicNum = Core::Elements::atomicNumberFromSymbol(m_keyPressBuffer.toStdString()); if (atomicNum != Avogadro::InvalidElement) m_toolWidget->setAtomicNumber(static_cast(atomicNum)); } return nullptr; } inline Vector3ub contrastingColor(const Vector3ub& rgb) { // If we're far 'enough' (+/-32) away from 128, just invert the component. // If we're close to 128, inverting the color will end up too close to the // input -- adjust the component before inverting. const unsigned char minVal = 32; const unsigned char maxVal = 223; Vector3ub result; for (size_t i = 0; i < 3; ++i) { unsigned char input = rgb[i]; if (input > 160 || input < 96) result[i] = static_cast(255 - input); else result[i] = static_cast(255 - (input / 4)); // Clamp to 32-->223 to prevent pure black/white result[i] = std::min(maxVal, std::max(minVal, result[i])); } return result; } void Editor::draw(Rendering::GroupNode& node) { if (fabs(m_bondDistance) < 0.3) return; auto* geo = new GeometryNode; node.addChild(geo); // Determine the field width. Negate it to indicate left-alignment. QString distanceLabel = tr("Distance:"); int labelWidth = -1 * distanceLabel.size(); QString overlayText = tr("%1 %L2") .arg(distanceLabel, labelWidth) .arg(tr("%L1 Å").arg(m_bondDistance, 9, 'f', 3), 9); Vector3ub color(64, 255, 220); if (m_renderer) { auto backgroundColor = m_renderer->scene().backgroundColor(); color = contrastingColor( Vector3ub(backgroundColor[0], backgroundColor[1], backgroundColor[2])); } TextProperties overlayTProp; overlayTProp.setFontFamily(TextProperties::Mono); overlayTProp.setColorRgb(color[0], color[1], color[2]); overlayTProp.setAlign(TextProperties::HLeft, TextProperties::VBottom); auto* label = new TextLabel2D; label->setText(overlayText.toStdString()); label->setTextProperties(overlayTProp); label->setRenderPass(Rendering::Overlay2DPass); label->setAnchor(Vector2i(10, 10)); geo->addDrawable(label); } void Editor::updatePressedButtons(QMouseEvent* e, bool release) { /// @todo Use modifier keys on mac if (release) m_pressedButtons &= e->buttons(); else m_pressedButtons |= e->buttons(); } void Editor::reset() { if (m_fixValenceLater) { Index a1 = m_newObject.index; Index a2 = m_bondedAtom.index; Index a3 = m_clickedObject.index; // don't order them // this caused bug: // https://github.com/OpenChemistry/avogadrolibs/issues/678 /* if (a1 > a2) std::swap(a1, a2); if (a1 > a3) std::swap(a1, a3); if (a2 > a3) std::swap(a2, a3); */ // This preserves the order so they are adjusted in order. // This is important for the undo stack to work correctly. Core::Array atomIds; atomIds.push_back(a3); atomIds.push_back(a2); atomIds.push_back(a1); // This function checks to make sure the ids are valid, so no need // to check out here. m_molecule->adjustHydrogens(atomIds); Molecule::MoleculeChanges changes = Molecule::Atoms | Molecule::Added; changes |= Molecule::Bonds | Molecule::Added | Molecule::Removed; m_molecule->emitChanged(changes); m_fixValenceLater = false; } m_clickedObject = Identifier(); m_newObject = Identifier(); m_bondedAtom = Identifier(); m_clickPosition = QPoint(); m_pressedButtons = Qt::NoButton; m_clickedAtomicNumber = INVALID_ATOMIC_NUMBER; m_bondAdded = false; m_bondDistance = 0.0f; emit drawablesChanged(); } void Editor::emptyLeftClick(QMouseEvent* e) { // Add an atom at the clicked position Vector2f windowPos(e->localPos().x(), e->localPos().y()); Vector3f atomPos = m_renderer->camera().unProject(windowPos); RWAtom newAtom = m_molecule->addAtom(m_toolWidget->atomicNumber(), atomPos.cast()); Molecule::MoleculeChanges changes = Molecule::Atoms | Molecule::Modified; if (m_toolWidget->adjustHydrogens()) { m_fixValenceLater = true; } // Update the clicked object m_clickedObject.type = Rendering::AtomType; m_clickedObject.molecule = m_molecule; m_clickedObject.index = newAtom.index(); // Emit changed signal m_molecule->emitChanged(changes); e->accept(); } void Editor::atomLeftClick(QMouseEvent* e) { RWAtom atom = m_molecule->atom(m_clickedObject.index); if (atom.isValid()) { // Store the original atomic number of the clicked atom before updating it. unsigned char atomicNumber = m_toolWidget->atomicNumber(); if (atom.atomicNumber() != atomicNumber) { m_clickedAtomicNumber = atom.atomicNumber(); atom.setAtomicNumber(atomicNumber); Molecule::MoleculeChanges changes = Molecule::Atoms | Molecule::Modified; if (m_toolWidget->adjustHydrogens()) m_fixValenceLater = true; m_molecule->emitChanged(changes); } e->accept(); } } void Editor::bondLeftClick(QMouseEvent* e) { RWBond bond = m_molecule->bond(m_clickedObject.index); bond.setOrder(static_cast((bond.order() % 3) + 1)); Molecule::MoleculeChanges changes = Molecule::Bonds | Molecule::Modified; if (m_toolWidget->adjustHydrogens()) { // change for the new bond order RWAtom atom1 = bond.atom1(); RWAtom atom2 = bond.atom2(); QtGui::HydrogenTools::adjustHydrogens(atom1); QtGui::HydrogenTools::adjustHydrogens(atom2); changes |= Molecule::Atoms | Molecule::Added | Molecule::Removed; } m_molecule->emitChanged(changes); e->accept(); } void Editor::atomRightClick(QMouseEvent* e) { e->accept(); // check to see if we need to adjust hydrogens Core::Array bondedAtoms; if (m_toolWidget->adjustHydrogens()) { // before we remove the atom, we need to delete any H atoms // that are bonded to it -- unless it's a hydrogen atom itself RWAtom atom = m_molecule->atom(m_clickedObject.index); if (atom.isValid() && atom.atomicNumber() != Core::Hydrogen) { // get the list of bonded atoms Core::Array atomBonds = m_molecule->bonds(atom); for (const RWBond& bond : atomBonds) { RWAtom bondedAtom = bond.getOtherAtom(atom); if (bondedAtom.atomicNumber() == Core::Hydrogen) { // remove the H atom m_molecule->removeAtom(bondedAtom.index()); } else { // save the atom to adjust after we remove the target bondedAtoms.push_back(m_molecule->atomUniqueId(bondedAtom)); } } } } m_molecule->removeAtom(m_clickedObject.index); // okay, now adjust the valence on the bonded atoms // (e.g., add back some hydrogens) for (Index atomIndex : bondedAtoms) { RWAtom atom = m_molecule->atomByUniqueId(atomIndex); QtGui::HydrogenTools::adjustHydrogens(atom); } m_molecule->emitChanged(Molecule::Atoms | Molecule::Removed); } void Editor::bondRightClick(QMouseEvent* e) { e->accept(); // see if we need to adjust hydrogens if (m_toolWidget->adjustHydrogens()) { RWBond bond = m_molecule->bond(m_clickedObject.index); RWAtom atom1 = bond.atom1(); RWAtom atom2 = bond.atom2(); m_molecule->removeBond(m_clickedObject.index); QtGui::HydrogenTools::adjustHydrogens(atom1); QtGui::HydrogenTools::adjustHydrogens(atom2); } m_molecule->emitChanged(Molecule::Atoms | Molecule::Bonds | Molecule::Removed); } int expectedBondOrder(RWAtom atom1, RWAtom atom2) { Vector3 bondVector = atom1.position3d() - atom2.position3d(); double bondDistance = bondVector.norm(); double radiiSum; radiiSum = Elements::radiusCovalent(atom1.atomicNumber()) + Elements::radiusCovalent(atom2.atomicNumber()); double ratio = bondDistance / radiiSum; int bondOrder; if (ratio > 1.0) bondOrder = 1; else if (ratio > 0.91 && ratio < 1.0) bondOrder = 2; else bondOrder = 3; return bondOrder; } void Editor::atomLeftDrag(QMouseEvent* e) { // Always accept move events when atoms are clicked: e->accept(); // Build up a MoleculeChanges bitfield Molecule::MoleculeChanges changes = Molecule::NoChange; // Get the list of hits at the current mouse position: const std::multimap hits = m_renderer->hits(e->pos().x(), e->pos().y()); // Check if the previously clicked atom is still under the mouse. float depth = -1.0f; for (const auto& hit : hits) { if (hit.second == m_clickedObject) { depth = hit.first; break; } } // If the clicked atom is under the mouse... if (depth >= 0.f) { // ...and we've created a new atom, remove the new atom and reset the // clicked atom's atomic number if (m_newObject.type == Rendering::AtomType && m_molecule == m_newObject.molecule) { m_molecule->removeAtom(m_newObject.index); changes |= Molecule::Atoms | Molecule::Bonds | Molecule::Removed; m_newObject = Identifier(); RWAtom atom = m_molecule->atom(m_clickedObject.index); if (atom.atomicNumber() != m_toolWidget->atomicNumber()) { m_clickedAtomicNumber = atom.atomicNumber(); atom.setAtomicNumber(m_toolWidget->atomicNumber()); changes |= Molecule::Atoms | Molecule::Modified; } m_molecule->emitChanged(changes); return; } // If there is no new atom, do nothing. return; } // If we get here, the clicked atom is no longer under the cursor. // If the clicked atom's identity has been changed from the initial click, // reset its atomic number if (m_clickedAtomicNumber != INVALID_ATOMIC_NUMBER) { RWAtom clickedAtom = m_molecule->atom(m_clickedObject.index); clickedAtom.setAtomicNumber(m_clickedAtomicNumber); m_clickedAtomicNumber = INVALID_ATOMIC_NUMBER; changes |= Molecule::Atoms | Molecule::Modified; } // Does a bonded atom already exist? if (m_bondedAtom.isValid()) { // Is it still under the mouse? depth = -1.0f; for (const auto& hit : hits) { if (hit.second == m_bondedAtom) { depth = hit.first; break; } } // If the bonded atom is no longer under the mouse, remove the bond. if (depth < 0.f) { RWAtom bondedAtom = m_molecule->atom(m_bondedAtom.index); RWAtom clickedAtom = m_molecule->atom(m_clickedObject.index); if (m_bondAdded) m_molecule->removeBond(clickedAtom, bondedAtom); changes |= Molecule::Bonds | Molecule::Removed; m_bondedAtom = Identifier(); m_bondAdded = false; } } // Is there another atom under the cursor, besides newAtom? If so, we'll draw // a bond to it. Identifier atomToBond; for (const auto& hit : hits) { const Identifier& ident = hit.second; // Are we on an atom if (ident.type == Rendering::AtomType) // besides the one that was clicked or a new atom if (ident != m_newObject && ident != m_clickedObject) { // then we have an atom that we should be drawing a bond to. atomToBond = ident; break; } } if (atomToBond.isValid() && (atomToBond.index != m_newObject.index)) { // If we have a newAtom, destroy it if (m_newObject.isValid() && m_newObject.type == Rendering::AtomType) { m_molecule->removeAtom(m_newObject.index); changes |= Molecule::Atoms | Molecule::Bonds | Molecule::Removed; m_newObject = Identifier(); } // Skip the rest of this block if atomToBond is already bonded if (m_bondedAtom != atomToBond) { // If the currently bonded atom exists, break the bond if (m_bondedAtom.isValid() && m_clickedObject.isValid() && m_bondedAtom.index < m_molecule->atomCount() && m_clickedObject.index < m_molecule->atomCount() && m_molecule->bond(m_bondedAtom.index, m_clickedObject.index) .isValid()) { if (m_molecule->removeBond(m_molecule->atom(m_bondedAtom.index), m_molecule->atom(m_clickedObject.index))) { changes |= Molecule::Bonds | Molecule::Removed; } m_bondedAtom = Identifier(); } // Create a new bond between clicked atom and atomToBond. RWAtom clickedAtom = m_molecule->atom(m_clickedObject.index); RWAtom bondedAtom = m_molecule->atom(atomToBond.index); if (!m_molecule->bond(clickedAtom, bondedAtom).isValid()) { int bondOrder = m_toolWidget->bondOrder(); if (bondOrder == 0) { // automatic - guess the size bondOrder = expectedBondOrder(clickedAtom, bondedAtom); } m_molecule->addBond(clickedAtom, bondedAtom, bondOrder); m_bondAdded = true; } // we have a bond, but it might be the wrong order else { RWBond bond = m_molecule->bond(clickedAtom, bondedAtom); int bondOrder = m_toolWidget->bondOrder(); if (bondOrder == 0) { // automatic - guess the size bondOrder = expectedBondOrder(clickedAtom, bondedAtom); } if (bond.order() != bondOrder) bond.setOrder(bondOrder); } m_bondedAtom = atomToBond; changes |= Molecule::Bonds | Molecule::Added; } m_molecule->emitChanged(changes); return; } // If we make it here, the cursor is not over any existing atom, with the // possible exception of a new atom we've added that's bonded to clicked atom. // We just need to create the new atom (if we haven't already), then update // its position. RWAtom newAtom; if (!m_newObject.isValid()) { // Add a new atom bonded to the clicked atom RWAtom clickedAtom = m_molecule->atom(m_clickedObject.index); newAtom = m_molecule->addAtom(m_toolWidget->atomicNumber(), clickedAtom.position3d()); // Handle the automatic bond order int bondOrder = m_toolWidget->bondOrder(); if (bondOrder == 0) { // automatic - guess the size bondOrder = expectedBondOrder(clickedAtom, newAtom); } m_molecule->addBond(clickedAtom, newAtom, bondOrder); // now if we need to adjust hydrogens, do it if (m_toolWidget->adjustHydrogens()) m_fixValenceLater = true; changes |= Molecule::Atoms | Molecule::Bonds | Molecule::Added; m_newObject.type = Rendering::AtomType; m_newObject.index = newAtom.index(); const Core::Molecule* mol = &m_molecule->molecule(); m_newObject.molecule = mol; } else if (m_newObject.type == Rendering::AtomType) { // Grab the previously created atom newAtom = m_molecule->atom(m_newObject.index); } else { // Shouldn't happen qWarning() << "Editor::atomLeftDrag: m_newObject already set and not an " "atom? This is a bug."; } if (newAtom.isValid()) { Vector2f windowPos(e->localPos().x(), e->localPos().y()); Vector3f oldPos(newAtom.position3d().cast()); Vector3f newPos = m_renderer->camera().unProject(windowPos, oldPos); newAtom.setPosition3d(newPos.cast()); changes |= Molecule::Atoms | Molecule::Modified; RWAtom clickedAtom = m_molecule->atom(m_clickedObject.index); if (clickedAtom.isValid()) { Vector3f bondVector = clickedAtom.position3d().cast() - newPos; m_bondDistance = bondVector.norm(); // need to check if bond order needs to change if (m_toolWidget->bondOrder() == 0) { // automatic RWBond bond = m_molecule->bond(newAtom, clickedAtom); if (bond.isValid()) { int bondOrder = expectedBondOrder(newAtom, clickedAtom); if (bondOrder != bond.order()) bond.setOrder(bondOrder); changes |= Molecule::Bonds | Molecule::Modified; } } // otherwise see if the bond order is different than what's there else { int bondOrder = m_toolWidget->bondOrder(); RWBond bond = m_molecule->bond(newAtom, clickedAtom); if (bond.isValid() && bondOrder != bond.order()) bond.setOrder(bondOrder); changes |= Molecule::Bonds | Molecule::Modified; } } } m_molecule->emitChanged(changes); return; } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/editor/editor.h000066400000000000000000000061061474375334400231230ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_EDITOR_H #define AVOGADRO_QTPLUGINS_EDITOR_H #include #include #include #include #include #include namespace Avogadro { namespace QtPlugins { class EditorToolWidget; /** * @class Editor editor.h * @brief The Editor tool extends and modifies molecules. * @author Allison Vacanti */ class Editor : public QtGui::ToolPlugin { Q_OBJECT public: explicit Editor(QObject* parent_ = nullptr); ~Editor() override; QString name() const override { return tr("Editor tool"); } QString description() const override { return tr("Editor tool"); } unsigned char priority() const override { return 20; } QAction* activateAction() const override { return m_activateAction; } QWidget* toolWidget() const override; void setIcon(bool darkTheme = false) override; void setMolecule(QtGui::Molecule* mol) override { if (mol) m_molecule = mol->undoMolecule(); } void setEditMolecule(QtGui::RWMolecule* mol) override { m_molecule = mol; } void setGLWidget(QtOpenGL::GLWidget* widget) override { m_glWidget = widget; } void setGLRenderer(Rendering::GLRenderer* renderer) override { m_renderer = renderer; } QUndoCommand* mousePressEvent(QMouseEvent* e) override; QUndoCommand* mouseReleaseEvent(QMouseEvent* e) override; QUndoCommand* mouseMoveEvent(QMouseEvent* e) override; QUndoCommand* keyPressEvent(QKeyEvent* e) override; void draw(Rendering::GroupNode& node) override; private slots: void clearKeyPressBuffer() { m_keyPressBuffer.clear(); } private: /** * Update the currently pressed buttons, accounting for modifier keys. * @todo Account for modifier keys. */ void updatePressedButtons(QMouseEvent*, bool release); /** * Reset all state for this tool. */ void reset(); void emptyLeftClick(QMouseEvent* e); void atomLeftClick(QMouseEvent* e); void bondLeftClick(QMouseEvent* e); void atomRightClick(QMouseEvent* e); void bondRightClick(QMouseEvent* e); void atomLeftDrag(QMouseEvent* e); QAction* m_activateAction; QtGui::RWMolecule* m_molecule; QtOpenGL::GLWidget* m_glWidget; Rendering::GLRenderer* m_renderer; EditorToolWidget* m_toolWidget; Rendering::Identifier m_clickedObject; Rendering::Identifier m_newObject; Rendering::Identifier m_bondedAtom; Qt::MouseButtons m_pressedButtons; QPoint m_clickPosition; unsigned char m_clickedAtomicNumber; bool m_bondAdded; bool m_fixValenceLater; QString m_keyPressBuffer; QtGui::PluginLayerManager m_layerManager; Real m_bondDistance; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_NAVIGATOR_H avogadrolibs-1.100.0/avogadro/qtplugins/editor/editor.qrc000066400000000000000000000002111474375334400234500ustar00rootroot00000000000000 editor_light.svg editor_dark.svg avogadrolibs-1.100.0/avogadro/qtplugins/editor/editor_dark.svg000066400000000000000000000047321474375334400244770ustar00rootroot00000000000000 avogadrolibs-1.100.0/avogadro/qtplugins/editor/editor_light.svg000066400000000000000000000054251474375334400246650ustar00rootroot00000000000000 avogadrolibs-1.100.0/avogadro/qtplugins/editor/editortoolwidget.cpp000066400000000000000000000143451474375334400255640ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "editortoolwidget.h" #include "ui_editortoolwidget.h" #include #include #include #include #include #include namespace { // The ItemData of the "Other" entry in the combo box const int ELEMENT_SELECTOR_TAG = 255; } // namespace namespace Avogadro::QtPlugins { EditorToolWidget::EditorToolWidget(QWidget* parent_) : QWidget(parent_), m_ui(new Ui::EditorToolWidget), m_elementSelector(nullptr), m_currentElement(6) { m_ui->setupUi(this); buildElements(); buildBondOrders(); connect(m_ui->element, SIGNAL(currentIndexChanged(int)), this, SLOT(elementChanged(int))); // Show carbon at startup. selectElement(6); } EditorToolWidget::~EditorToolWidget() { delete m_ui; } void EditorToolWidget::setAtomicNumber(unsigned char atomicNum) { selectElement(atomicNum); if (m_elementSelector) m_elementSelector->setElement(static_cast(atomicNum)); } unsigned char EditorToolWidget::atomicNumber() const { int curIndex = m_ui->element->currentIndex(); QVariant itemData = m_ui->element->itemData(curIndex); if (!itemData.isValid()) return 0; auto atomicNum = static_cast(itemData.toUInt()); // "Other…" selected.... if (atomicNum == 0 && m_elementSelector) atomicNum = static_cast(m_elementSelector->element()); return atomicNum; } void EditorToolWidget::setBondOrder(unsigned char order) { if (order < m_ui->bondOrder->count()) m_ui->bondOrder->setCurrentIndex(static_cast(order)); } unsigned char EditorToolWidget::bondOrder() const { return static_cast(m_ui->bondOrder->currentIndex()); } bool EditorToolWidget::adjustHydrogens() const { return m_ui->adjustHydrogens->isChecked(); } void EditorToolWidget::elementChanged(int index) { QVariant itemData = m_ui->element->itemData(index); if (itemData.isValid()) { if (itemData.toInt() == ELEMENT_SELECTOR_TAG) { if (!m_elementSelector) { m_elementSelector = new QtGui::PeriodicTableView(this); connect(m_elementSelector, SIGNAL(elementChanged(int)), this, SLOT(elementSelectedFromTable(int))); } m_elementSelector->setElement(m_currentElement); m_elementSelector->show(); } else { if (m_elementSelector) m_elementSelector->setElement(itemData.toInt()); m_currentElement = static_cast(itemData.toInt()); } } } void EditorToolWidget::updateElementCombo() { // Build set of all elements: QList allElements; allElements << m_defaultElements; allElements << m_userElements; std::sort(allElements.begin(), allElements.end()); // Cache selected atomic number for later QVariant selectedData; int curIndex = m_ui->element->currentIndex(); if (curIndex >= 0) selectedData = m_ui->element->itemData(curIndex); // Clear and repopulate combo m_ui->element->clear(); foreach (unsigned char atomicNum, allElements) { m_ui->element->addItem( QString("%1 (%2)").arg(QtGui::ElementTranslator::name(atomicNum)).arg(atomicNum), atomicNum); } m_ui->element->insertSeparator(m_ui->element->count()); m_ui->element->addItem(tr("Other…"), ELEMENT_SELECTOR_TAG); // Reset the element if it still exists selectElement(static_cast( selectedData.isValid() ? selectedData.toInt() : -1)); } void EditorToolWidget::addUserElement(unsigned char element) { // Never add any of the common elements to the user list. if (m_defaultElements.contains(element)) return; // If the element is already in the user list, move it to the back of the // list. if (m_userElements.removeOne(element)) { m_userElements << element; return; } m_userElements << element; // Limit the number of user elements /// @todo Make this number of user elements configurable. while (m_userElements.size() > 15) m_userElements.pop_front(); updateElementCombo(); saveElements(); } void EditorToolWidget::elementSelectedFromTable(int element) { addUserElement(static_cast(element)); selectElement(static_cast(element)); } void EditorToolWidget::selectElement(unsigned char element) { int curIndex = element > 0 ? m_ui->element->findData(element) : -1; if (curIndex >= 0) m_ui->element->setCurrentIndex(curIndex); else { addUserElement(element); curIndex = m_ui->element->findData(element); if (curIndex >= 0) m_ui->element->setCurrentIndex(curIndex); // if we can't find it after adding it, something is very wrong! } } void EditorToolWidget::buildElements() { // Common elements that are always shown in the combo box. if (m_defaultElements.isEmpty()) { m_defaultElements.append(1); // Hydrogen m_defaultElements.append(5); // Boron m_defaultElements.append(6); // Carbon m_defaultElements.append(7); // Nitrogen m_defaultElements.append(8); // Oxygen m_defaultElements.append(9); // Fluorine m_defaultElements.append(15); // Phosphorus m_defaultElements.append(16); // Sulfur m_defaultElements.append(17); // Chlorine m_defaultElements.append(35); // Bromine } // User-added elements QVariantList userElementsVar = QSettings().value("editortool/userElements").toList(); foreach (const QVariant& var, userElementsVar) m_userElements << static_cast(var.toUInt()); updateElementCombo(); } void EditorToolWidget::buildBondOrders() { m_ui->bondOrder->clear(); m_ui->bondOrder->addItem(tr("Automatic"), 0); m_ui->bondOrder->addItem(tr("Single"), 1); m_ui->bondOrder->addItem(tr("Double"), 2); m_ui->bondOrder->addItem(tr("Triple"), 3); } void EditorToolWidget::saveElements() { QVariantList atomicNums; for (unsigned char m_userElement : m_userElements) atomicNums << QVariant(m_userElement); QSettings().setValue("editortool/userElements", atomicNums); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/editor/editortoolwidget.h000066400000000000000000000027231474375334400252260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_EDITORTOOLWIDGET_H #define AVOGADRO_QTPLUGINS_EDITORTOOLWIDGET_H #include namespace Avogadro { namespace QtGui { class PeriodicTableView; } namespace QtPlugins { namespace Ui { class EditorToolWidget; } class EditorToolWidget : public QWidget { Q_OBJECT public: explicit EditorToolWidget(QWidget* parent_ = nullptr); ~EditorToolWidget() override; void setAtomicNumber(unsigned char atomicNum); unsigned char atomicNumber() const; void setBondOrder(unsigned char order); unsigned char bondOrder() const; bool adjustHydrogens() const; private slots: void elementChanged(int index); void updateElementCombo(); void addUserElement(unsigned char element); void elementSelectedFromTable(int element); void selectElement(unsigned char element); private: void buildElements(); void buildBondOrders(); void saveElements(); Ui::EditorToolWidget* m_ui; QtGui::PeriodicTableView* m_elementSelector; QList m_defaultElements; QList m_userElements; unsigned char m_currentElement; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_EDITORTOOLWIDGET_H avogadrolibs-1.100.0/avogadro/qtplugins/editor/editortoolwidget.ui000066400000000000000000000025621474375334400254150ustar00rootroot00000000000000 Avogadro::QtPlugins::EditorToolWidget 0 0 400 300 Form QFormLayout::ExpandingFieldsGrow Element: Bond Order: Adjust Hydrogens true avogadrolibs-1.100.0/avogadro/qtplugins/fetchpdb/000077500000000000000000000000001474375334400217525ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/fetchpdb/CMakeLists.txt000066400000000000000000000005041474375334400245110ustar00rootroot00000000000000set(srcs fetchpdb.cpp ) avogadro_plugin(FetchPDB "Fetch PDB" ExtensionPlugin fetchpdb.h FetchPDB "${srcs}" "" ) target_link_libraries(FetchPDB PRIVATE Avogadro::IO Qt::Network) if(WIN32) # for https support target_link_libraries(FetchPDB PRIVATE OpenSSL::SSL OpenSSL::Crypto OpenSSL::applink) endif() avogadrolibs-1.100.0/avogadro/qtplugins/fetchpdb/fetchpdb.cpp000066400000000000000000000105441474375334400242410ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "fetchpdb.h" #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { FetchPDB::FetchPDB(QObject* parent_) : ExtensionPlugin(parent_), m_action(new QAction(this)), m_molecule(nullptr), m_network(nullptr), m_progressDialog(nullptr) { m_action->setEnabled(true); m_action->setText("Fetch from &PDB…"); m_action->setProperty("menu priority", 180); connect(m_action, SIGNAL(triggered()), SLOT(showDialog())); } FetchPDB::~FetchPDB() {} QList FetchPDB::actions() const { return QList() << m_action; } QStringList FetchPDB::menuPath(QAction*) const { return QStringList() << tr("&File") << tr("&Import"); } void FetchPDB::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } bool FetchPDB::readMolecule(QtGui::Molecule& mol) { if (m_moleculeData.isEmpty() || m_moleculeName.isEmpty()) return false; bool readOK = Io::FileFormatManager::instance().readFile( mol, m_tempFileName.toStdString(), "pdb"); if (readOK) // worked, so set the filename mol.setData("name", m_moleculeName.toStdString()); else // if it didn't read, show a dialog QMessageBox::warning( qobject_cast(parent()), tr("Fetch PDB"), tr("Could not read the PDB molecule: %1").arg(m_moleculeName)); return readOK; } void FetchPDB::showDialog() { // Prompt for a chemical structure name bool ok; QString pdbCode = QInputDialog::getText( qobject_cast(parent()), tr("PDB Code"), tr("Chemical structure to download."), QLineEdit::Normal, "", &ok); if (!ok || pdbCode.isEmpty()) return; // check if the PDB code matches the expected format if (pdbCode.length() != 4) { QMessageBox::warning(qobject_cast(parent()), tr("Invalid PDB Code"), tr("The PDB code must be exactly 4 characters long.")); return; } // first character should be 1-9 if (!pdbCode.at(0).isDigit() || pdbCode.at(0).toLatin1() == '0') { QMessageBox::warning( qobject_cast(parent()), tr("Invalid PDB Code"), tr("The first character of the PDB code must be 1-9.")); return; } if (!m_network) { m_network = new QNetworkAccessManager(this); connect(m_network, SIGNAL(finished(QNetworkReply*)), this, SLOT(replyFinished(QNetworkReply*))); } // Hard coding the PDB download URL m_network->get(QNetworkRequest( QUrl("https://files.rcsb.org/download/" + pdbCode + ".pdb"))); if (!m_progressDialog) { m_progressDialog = new QProgressDialog(qobject_cast(parent())); } m_moleculeName = pdbCode; m_progressDialog->setLabelText(tr("Querying for %1").arg(pdbCode)); m_progressDialog->setRange(0, 0); m_progressDialog->show(); } void FetchPDB::replyFinished(QNetworkReply* reply) { m_progressDialog->hide(); // Read in all the data if (!reply->isReadable()) { QMessageBox::warning(qobject_cast(parent()), tr("Network Download Failed"), tr("Network timeout or other error.")); reply->deleteLater(); return; } m_moleculeData = reply->readAll(); // Check if the file was successfully downloaded if (m_moleculeData.contains("Not Found") || m_moleculeData.contains("Error report") || m_moleculeData.contains("Page not found (404)")) { QMessageBox::warning( qobject_cast(parent()), tr("Network Download Failed"), tr("Specified molecule could not be found: %1").arg(m_moleculeName)); reply->deleteLater(); return; } m_tempFileName = QDir::tempPath() + QDir::separator() + m_moleculeName + ".pdb"; QFile out(m_tempFileName); out.open(QIODevice::WriteOnly); out.write(m_moleculeData); out.close(); emit moleculeReady(1); reply->deleteLater(); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/fetchpdb/fetchpdb.h000066400000000000000000000031661474375334400237100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_FETCHPDB_H #define AVOGADRO_QTPLUGINS_FETCHPDB_H #include #include #include class QNetworkAccessManager; class QNetworkReply; class QProgressDialog; namespace Avogadro { namespace QtPlugins { /** * @brief Queries online databases (currently the NIH structure resolver) and * loads the returned structure if one is found. */ class FetchPDB : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit FetchPDB(QObject* parent = nullptr); ~FetchPDB() override; QString name() const override { return tr("Fetch from PDB"); } QString description() const override { return tr("Download PDB models from the Protein Data Bank"); } QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; bool readMolecule(QtGui::Molecule& mol) override; private slots: void showDialog(); void replyFinished(QNetworkReply*); private: QAction* m_action; QtGui::Molecule* m_molecule; QNetworkAccessManager* m_network; QString m_moleculeName; QByteArray m_moleculeData; QProgressDialog* m_progressDialog; QString m_tempFileName; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_FETCHPDB_H avogadrolibs-1.100.0/avogadro/qtplugins/focus/000077500000000000000000000000001474375334400213125ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/focus/CMakeLists.txt000066400000000000000000000002611474375334400240510ustar00rootroot00000000000000avogadro_plugin(Focus "Focus the view on specific features." ExtensionPlugin focus.h Focus "focus.cpp" "" ) target_link_libraries(Focus PRIVATE Avogadro::QtOpenGL) avogadrolibs-1.100.0/avogadro/qtplugins/focus/focus.cpp000066400000000000000000000061531474375334400231420ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "focus.h" #include #include #include #include #include namespace Avogadro::QtPlugins { using Avogadro::QtGui::ExtensionPlugin; Focus::Focus(QObject* parent_) : ExtensionPlugin(parent_), m_focusSelectionAction(new QAction(tr("Focus Selection"), this)), m_unfocusAction(new QAction(tr("Unfocus"), this)) { m_focusSelectionAction->setProperty("menu priority", 200); m_unfocusAction->setProperty("menu priority", 200); connect(m_focusSelectionAction, SIGNAL(triggered()), SLOT(focusSelection())); connect(m_unfocusAction, SIGNAL(triggered()), SLOT(unfocus())); } Focus::~Focus() {} QList Focus::actions() const { QList result; return result << m_focusSelectionAction << m_unfocusAction; } QStringList Focus::menuPath(QAction*) const { return QStringList() << tr("&View"); } void Focus::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void Focus::setCamera(Rendering::Camera* camera) { m_camera = camera; } void Focus::setScene(Rendering::Scene* scene) { m_scene = scene; } void Focus::setActiveWidget(QWidget* widget) { if (widget != nullptr) { m_glWidget = widget; connect(this, SIGNAL(updateRequested()), m_glWidget, SLOT(requestUpdate())); } } void Focus::newFocus(Eigen::Vector3f point, float distance) { Eigen::Vector3f cameraPoint = -m_camera->modelView().translation(); Eigen::Vector3f vectorOfSight = point - cameraPoint; float currentDistance = vectorOfSight.norm(); float scaleFactor = distance / currentDistance; vectorOfSight *= 1.0f - scaleFactor; cameraPoint += vectorOfSight; m_camera->setIdentity(); m_camera->lookAt(cameraPoint, point, Eigen::Vector3f(0, 1, 0)); m_camera->setFocus(point); } void Focus::focusSelection() { if (!m_molecule || !m_camera) return; if (m_molecule->atomPositions3d().size() != m_molecule->atomCount()) return; if (m_molecule->isSelectionEmpty()) return; Eigen::Vector3f selectionCenter(0, 0, 0); std::vector selection; for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (m_molecule->atomSelected(i)) { selectionCenter += m_molecule->atomPosition3d(i).cast(); selection.push_back(i); } } selectionCenter /= selection.size(); float selectionRadius = 0.0f; for (Index i : selection) { Eigen::Vector3f pos = m_molecule->atomPosition3d(i).cast(); float distance = (pos - selectionCenter).norm(); if (distance > selectionRadius) selectionRadius = distance; } newFocus(selectionCenter, selectionRadius + 10.0f); emit updateRequested(); } void Focus::unfocus() { if (!m_camera || !m_scene) return; newFocus(m_scene->center(), 2.22f * m_scene->radius()); emit updateRequested(); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/focus/focus.h000066400000000000000000000031731474375334400226060ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_FOCUS_H #define AVOGADRO_QTPLUGINS_FOCUS_H #include #include #include namespace Avogadro { namespace QtPlugins { /** * @brief The Focus class is an extension to center the camera in the best * fit panel or the default camera position */ class Focus : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit Focus(QObject* parent_ = nullptr); ~Focus() override; QString name() const override { return tr("Focus"); } QString description() const override { return tr("Focus the view on specific features."); } QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; void setCamera(Rendering::Camera* camera) override; void setScene(Rendering::Scene* scene) override; void setActiveWidget(QWidget* widget) override; signals: void updateRequested(); private slots: void focusSelection(); void unfocus(); private: QtGui::Molecule* m_molecule; Rendering::Camera* m_camera; Rendering::Scene* m_scene; QWidget* m_glWidget; QAction* m_focusSelectionAction; QAction* m_unfocusAction; void newFocus(Eigen::Vector3f point, float distance); }; } // namespace QtPlugins } // namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/qtplugins/force/000077500000000000000000000000001474375334400212715ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/force/CMakeLists.txt000066400000000000000000000002351474375334400240310ustar00rootroot00000000000000avogadro_plugin(Force "Force rendering scheme" ScenePlugin force.h Force force.cpp "") target_link_libraries(Force PRIVATE Avogadro::Rendering) avogadrolibs-1.100.0/avogadro/qtplugins/force/force.cpp000066400000000000000000000031341474375334400230740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "force.h" #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using QtGui::Molecule; using Rendering::ArrowGeometry; using Rendering::GeometryNode; using Rendering::GroupNode; Force::Force(QObject* p) : ScenePlugin(p) { m_layerManager = QtGui::PluginLayerManager(m_name); } Force::~Force() {} void Force::process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) { auto* geometry = new GeometryNode; node.addChild(geometry); auto* arrows = new ArrowGeometry; arrows->identifier().molecule = &molecule; geometry->addDrawable(arrows); for (Index i = 0; i < molecule.atomCount(); ++i) { if (!m_layerManager.atomEnabled(i)) continue; // ignore hidden atoms Core::Atom atom1 = molecule.atom(i); Vector3f pos1 = atom1.position3d().cast(); Vector3f forceVector = atom1.forceVector().cast(); arrows->addSingleArrow(pos1, pos1 + forceVector); } } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/force/force.h000066400000000000000000000022261474375334400225420ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_FORCE_H #define AVOGADRO_QTPLUGINS_FORCE_H #include namespace Avogadro { namespace QtPlugins { /** * @brief Render a molecule in the wireframe style. */ class Force : public QtGui::ScenePlugin { Q_OBJECT public: explicit Force(QObject* parent = nullptr); ~Force() override; void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; QString name() const override { return tr("Force"); } QString description() const override { return tr( "Render the force field visualizations for the atoms of the molecule."); } DefaultBehavior defaultBehavior() const override { return DefaultBehavior::False; } private: std::string m_name = "Force"; }; } // end namespace QtPlugins } // end namespace Avogadro #endif // AVOGADRO_QTPLUGINS_FORCE_H avogadrolibs-1.100.0/avogadro/qtplugins/forcefield/000077500000000000000000000000001474375334400222755ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/forcefield/CMakeLists.txt000066400000000000000000000023671474375334400250450ustar00rootroot00000000000000if(QT_VERSION EQUAL 6) find_package(Qt6 COMPONENTS Gui REQUIRED) else() find_package(Qt5 COMPONENTS Widgets REQUIRED) endif() set(forcefield_srcs forcefield.cpp forcefielddialog.cpp obmmenergy.cpp scriptenergy.cpp ) if (BUILD_GPL_PLUGINS) find_package(OpenBabel3) if (OpenBabel3_LIBRARY) list(APPEND forcefield_srcs obenergy.cpp ) add_definitions(-DBUILD_GPL_PLUGINS) include_directories(${OpenBabel3_INCLUDE_DIRS} ${OpenBabel3_INCLUDE_DIR} ${AvogadroLibs_BINARY_DIR}/../prefix/include/openbabel3) endif() endif() avogadro_plugin(Forcefield "Force field optimization and dynamics" ExtensionPlugin forcefield.h Forcefield "${forcefield_srcs}" forcefielddialog.ui ) target_link_libraries(Forcefield PRIVATE Avogadro::Calc) if(QT_VERSION EQUAL 6) target_link_libraries(Forcefield PRIVATE Qt6::Gui) else() target_link_libraries(Forcefield PRIVATE Qt5::Widgets) endif() if (BUILD_GPL_PLUGINS AND OpenBabel3_LIBRARY) target_link_libraries(Forcefield PRIVATE OpenBabel3) endif() if (NOT BUILD_GPL_PLUGINS) # install the OB / Pybel forcefield scripts list(APPEND forcefields scripts/gaff.py scripts/mmff94.py scripts/uff.py ) endif() # Don't install any scripts - we'll use these as plugins avogadrolibs-1.100.0/avogadro/qtplugins/forcefield/forcefield.cpp000066400000000000000000000377741474375334400251250ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "forcefield.h" #include "forcefielddialog.h" #include "obmmenergy.h" #include "scriptenergy.h" #ifdef BUILD_GPL_PLUGINS #include "obenergy.h" #endif #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro { namespace QtPlugins { using Avogadro::Calc::EnergyCalculator; using Avogadro::QtGui::Molecule; using Avogadro::QtGui::RWMolecule; const int energyAction = 0; const int optimizeAction = 1; const int configureAction = 2; const int freezeAction = 3; const int unfreezeAction = 4; const int constraintAction = 5; const int forcesAction = 6; Forcefield::Forcefield(QObject* parent_) : ExtensionPlugin(parent_), m_method(nullptr) { QSettings settings; settings.beginGroup("forcefield"); m_autodetect = settings.value("autodetect", true).toBool(); m_methodName = settings.value("forcefield", "LJ").toString().toStdString(); m_nSteps = settings.value("steps", 10).toInt(); m_maxSteps = settings.value("maxSteps", 250).toInt(); m_tolerance = settings.value("tolerance", 1.0e-4).toDouble(); m_gradientTolerance = settings.value("gradientTolerance", 1.0e-4).toDouble(); settings.endGroup(); QAction* action = new QAction(this); action->setEnabled(true); action->setText(tr("Optimize Geometry")); action->setShortcut(QKeySequence("Ctrl+Alt+O")); action->setData(optimizeAction); action->setProperty("menu priority", 920); connect(action, SIGNAL(triggered()), SLOT(optimize())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Energy")); // calculate energy action->setData(energyAction); action->setProperty("menu priority", 910); connect(action, SIGNAL(triggered()), SLOT(energy())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Forces")); // calculate gradients action->setData(forcesAction); action->setProperty("menu priority", 910); connect(action, SIGNAL(triggered()), SLOT(forces())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Configure…")); action->setData(configureAction); action->setProperty("menu priority", 900); connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.push_back(action); action = new QAction(this); action->setSeparator(true); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Freeze Selected Atoms")); action->setData(freezeAction); connect(action, SIGNAL(triggered()), SLOT(freezeSelected())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Unfreeze Selected Atoms")); action->setData(unfreezeAction); connect(action, SIGNAL(triggered()), SLOT(unfreezeSelected())); m_actions.push_back(action); // initialize the calculators // prefer to use Python interface scripts if available refreshScripts(); // add the openbabel calculators in case they don't exist #ifdef BUILD_GPL_PLUGINS // These directly use Open Babel and are fast qDebug() << " registering GPL plugins"; Calc::EnergyManager::registerModel(new OBEnergy("MMFF94")); Calc::EnergyManager::registerModel(new OBEnergy("UFF")); Calc::EnergyManager::registerModel(new OBEnergy("GAFF")); #else // These call obmm and can be slower qDebug() << " registering obmm plugins"; Calc::EnergyManager::registerModel(new OBMMEnergy("MMFF94")); Calc::EnergyManager::registerModel(new OBMMEnergy("UFF")); Calc::EnergyManager::registerModel(new OBMMEnergy("GAFF")); #endif } Forcefield::~Forcefield() {} QList Forcefield::actions() const { return m_actions; } QStringList Forcefield::menuPath(QAction* action) const { QStringList path; if (action->data().toInt() == optimizeAction) path << tr("&Extensions"); else path << tr("&Extensions") << tr("&Calculate"); return path; } void Forcefield::showDialog() { QStringList forceFields; auto list = Calc::EnergyManager::instance().identifiersForMolecule(*m_molecule); for (auto option : list) { forceFields << option.c_str(); } QSettings settings; QVariantMap options; options["forcefield"] = m_methodName.c_str(); options["nSteps"] = m_nSteps; options["maxSteps"] = m_maxSteps; options["tolerance"] = m_tolerance; options["gradientTolerance"] = m_gradientTolerance; options["autodetect"] = m_autodetect; QVariantMap results = ForceFieldDialog::prompt( nullptr, forceFields, options, recommendedForceField().c_str()); if (!results.isEmpty()) { // update settings settings.beginGroup("forcefield"); m_methodName = results["forcefield"].toString().toStdString(); settings.setValue("forcefield", m_methodName.c_str()); m_maxSteps = results["maxSteps"].toInt(); settings.setValue("maxSteps", m_maxSteps); m_tolerance = results["tolerance"].toDouble(); settings.setValue("tolerance", m_tolerance); m_gradientTolerance = results["gradientTolerance"].toDouble(); settings.setValue("gradientTolerance", m_gradientTolerance); m_autodetect = results["autodetect"].toBool(); settings.setValue("autodetect", m_autodetect); settings.endGroup(); } setupMethod(); } void Forcefield::setMolecule(QtGui::Molecule* mol) { if (mol == nullptr || m_molecule == mol) return; m_molecule = mol; setupMethod(); } void Forcefield::setupMethod() { if (m_molecule == nullptr) return; // nothing to do until its set if (m_autodetect) m_methodName = recommendedForceField(); // check if m_methodName even exists (e.g., saved preference) // or if that method doesn't work for this (e.g., unit cell, etc.) auto list = Calc::EnergyManager::instance().identifiersForMolecule(*m_molecule); bool found = false; for (auto option : list) { if (option == m_methodName) { found = true; break; } } // fall back to recommended if not found (LJ will always work) if (!found) { m_methodName = recommendedForceField(); } if (m_method != nullptr) { delete m_method; // delete the previous one } m_method = Calc::EnergyManager::instance().model(m_methodName); if (m_method != nullptr) m_method->setMolecule(m_molecule); } void Forcefield::optimize() { if (m_molecule == nullptr) return; if (m_method == nullptr) setupMethod(); if (m_method == nullptr) return; // bad news if (!m_molecule->atomCount()) { QMessageBox::information(nullptr, tr("Avogadro"), tr("No atoms provided for optimization")); return; } // merge all coordinate updates into one step for undo bool isInteractive = m_molecule->undoMolecule()->isInteractive(); m_molecule->undoMolecule()->setInteractive(true); cppoptlib::LbfgsSolver solver; int n = m_molecule->atomCount(); // double-check the mask auto mask = m_molecule->frozenAtomMask(); if (mask.rows() != 3 * n) { mask = Eigen::VectorXd::Zero(3 * n); // set to 1.0 for (Index i = 0; i < 3 * n; ++i) { mask[i] = 1.0; } } m_method->setMolecule(m_molecule); m_method->setMask(mask); // we have to cast the current 3d positions into a VectorXd Core::Array pos = m_molecule->atomPositions3d(); double* p = pos[0].data(); Eigen::Map map(p, 3 * n); Eigen::VectorXd positions = map; Eigen::VectorXd lastPositions = positions; Eigen::VectorXd gradient = Eigen::VectorXd::Zero(3 * n); // just to get the right size / shape // we'll use this to draw the force arrows later Core::Array forces = m_molecule->atomPositions3d(); // Create a Criteria class so we can update coords every N steps cppoptlib::Criteria crit = cppoptlib::Criteria::defaults(); // e.g., every N steps, update coordinates crit.iterations = 2; // we don't set function or gradient criteria // .. these seem to be broken in the solver code // .. so we handle ourselves solver.setStopCriteria(crit); Real energy = m_method->value(positions); m_method->gradient(positions, gradient); qDebug() << " initial " << energy << " gradNorm: " << gradient.norm(); qDebug() << " maxSteps" << m_maxSteps << " steps " << m_maxSteps / crit.iterations; QProgressDialog progress(tr("Optimize Geometry"), "Cancel", 0, m_maxSteps / crit.iterations); progress.setWindowModality(Qt::WindowModal); progress.setMinimumDuration(0); progress.setAutoClose(true); progress.show(); Real currentEnergy = 0.0; for (unsigned int i = 0; i < m_maxSteps / crit.iterations; ++i) { solver.minimize(*m_method, positions); // update the progress dialog progress.setValue(i); qApp->processEvents(QEventLoop::AllEvents, 500); currentEnergy = m_method->value(positions); progress.setLabelText( tr("Energy: %L1", "force field energy").arg(currentEnergy, 0, 'f', 3)); // get the current gradient for force visualization m_method->gradient(positions, gradient); #ifndef NDEBUG qDebug() << " optimize " << i << currentEnergy << " gradNorm: " << gradient.norm(); #endif // update coordinates bool isFinite = std::isfinite(currentEnergy); if (isFinite) { const double* d = positions.data(); bool isFinite = true; // casting back would be lovely... for (size_t i = 0; i < n; ++i) { if (!std::isfinite(*d) || !std::isfinite(*(d + 1)) || !std::isfinite(*(d + 2))) { isFinite = false; break; } pos[i] = Vector3(*(d), *(d + 1), *(d + 2)); d += 3; forces[i] = -0.1 * Vector3(gradient[3 * i], gradient[3 * i + 1], gradient[3 * i + 2]); } } else { // reset to last positions positions = lastPositions; gradient = Eigen::VectorXd::Zero(3 * n); break; } // todo - merge these into one undo step if (isFinite) { m_molecule->undoMolecule()->setAtomPositions3d(pos, tr("Optimize Geometry")); m_molecule->setForceVectors(forces); Molecule::MoleculeChanges changes = Molecule::Atoms | Molecule::Modified; m_molecule->emitChanged(changes); lastPositions = positions; // check for convergence if (fabs(gradient.maxCoeff()) < m_gradientTolerance) break; if (fabs(currentEnergy - energy) < m_tolerance) break; energy = currentEnergy; } if (progress.wasCanceled()) break; } m_molecule->undoMolecule()->setInteractive(isInteractive); } void Forcefield::energy() { if (m_molecule == nullptr) return; if (m_method == nullptr) setupMethod(); if (m_method == nullptr) return; // bad news int n = m_molecule->atomCount(); // we have to cast the current 3d positions into a VectorXd Core::Array pos = m_molecule->atomPositions3d(); double* p = pos[0].data(); Eigen::Map map(p, 3 * n); Eigen::VectorXd positions = map; // now get the energy m_method->setMolecule(m_molecule); Real energy = m_method->value(positions); QString msg(tr("%1 Energy = %L2").arg(m_methodName.c_str()).arg(energy)); QMessageBox::information(nullptr, tr("Avogadro"), msg); } void Forcefield::forces() { if (m_molecule == nullptr) return; if (m_method == nullptr) setupMethod(); if (m_method == nullptr) return; // bad news int n = m_molecule->atomCount(); // double-check the mask auto mask = m_molecule->frozenAtomMask(); if (mask.rows() != 3 * n) { mask = Eigen::VectorXd::Zero(3 * n); // set to 1.0 for (Index i = 0; i < 3 * n; ++i) { mask[i] = 1.0; } } m_method->setMolecule(m_molecule); m_method->setMask(mask); // we have to cast the current 3d positions into a VectorXd Core::Array pos = m_molecule->atomPositions3d(); double* p = pos[0].data(); Eigen::Map map(p, 3 * n); Eigen::VectorXd positions = map; Eigen::VectorXd gradient = Eigen::VectorXd::Zero(3 * n); // just to get the right size / shape // we'll use this to draw the force arrows Core::Array forces = m_molecule->atomPositions3d(); m_method->gradient(positions, gradient); for (size_t i = 0; i < n; ++i) { forces[i] = -0.1 * Vector3(gradient[3 * i], gradient[3 * i + 1], gradient[3 * i + 2]); } m_molecule->setForceVectors(forces); Molecule::MoleculeChanges changes = Molecule::Atoms | Molecule::Modified; m_molecule->emitChanged(changes); QString msg( tr("%1 Force Norm = %L2").arg(m_methodName.c_str()).arg(gradient.norm())); QMessageBox::information(nullptr, tr("Avogadro"), msg); } std::string Forcefield::recommendedForceField() const { // if we have a unit cell, we need to use the LJ calculator // (implementing something better would be nice) if (m_molecule == nullptr || m_molecule->unitCell() != nullptr) return "LJ"; // otherwise, let's see what identifers are returned auto list = Calc::EnergyManager::instance().identifiersForMolecule(*m_molecule); if (list.empty()) return "LJ"; // this will always work // iterate to see what we have std::string bestOption; for (auto option : list) { // ideally, we'd use GFN-FF but it needs tweaking // everything else is a ranking // GAFF is better than MMFF94 which is better than UFF if (option == "UFF" && bestOption != "GAFF" && bestOption != "MMFF94") bestOption = option; if (option == "MMFF94" && bestOption != "GAFF") bestOption = option; } if (!bestOption.empty()) return bestOption; else return "LJ"; // this will always work } void Forcefield::freezeSelected() { if (!m_molecule) return; int numAtoms = m_molecule->atomCount(); // now freeze the specified atoms for (Index i = 0; i < numAtoms; ++i) { if (m_molecule->atomSelected(i)) { m_molecule->setFrozenAtom(i, true); } } } void Forcefield::unfreezeSelected() { if (!m_molecule) return; int numAtoms = m_molecule->atomCount(); // now freeze the specified atoms for (Index i = 0; i < numAtoms; ++i) { if (m_molecule->atomSelected(i)) { m_molecule->setFrozenAtom(i, false); } } } void Forcefield::refreshScripts() { unregisterScripts(); qDeleteAll(m_scripts); m_scripts.clear(); QMultiMap scriptPaths = QtGui::ScriptLoader::scriptList("energy"); foreach (const QString& filePath, scriptPaths) { auto* model = new ScriptEnergy(filePath); if (model->isValid()) m_scripts.push_back(model); else delete model; } registerScripts(); } void Forcefield::unregisterScripts() { for (QList::const_iterator it = m_scripts.constBegin(), itEnd = m_scripts.constEnd(); it != itEnd; ++it) { Calc::EnergyManager::unregisterModel((*it)->identifier()); } } void Forcefield::registerScripts() { for (QList::const_iterator it = m_scripts.constBegin(), itEnd = m_scripts.constEnd(); it != itEnd; ++it) { qDebug() << " register " << (*it)->identifier().c_str(); if (!Calc::EnergyManager::registerModel((*it)->newInstance())) { qDebug() << "Could not register model" << (*it)->identifier().c_str() << "due to name conflict."; } } } } // namespace QtPlugins } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/forcefield/forcefield.h000066400000000000000000000042141474375334400245510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_FORCEFIELD_H #define AVOGADRO_QTPLUGINS_FORCEFIELD_H #include #include #include class QAction; class QDialog; namespace Avogadro { namespace Calc { class EnergyCalculator; } namespace QtPlugins { /** * @brief The Forcefield class implements the extension interface for * forcefield (and other) optimization * @author Geoffrey R. Hutchison */ class Forcefield : public QtGui::ExtensionPlugin { Q_OBJECT public: enum Minimizer { SteepestDescent = 0, ConjugateGradients, LBFGS, FIRE, }; explicit Forcefield(QObject* parent = 0); ~Forcefield() override; QString name() const override { return tr("Forcefield optimization"); } QString description() const override { return tr("Forcefield minimization, including scripts"); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule* mol) override; void setupMethod(); std::string recommendedForceField() const; public slots: /** * Scan for new scripts in the Forcefield directories. */ void refreshScripts(); void registerScripts(); void unregisterScripts(); void showDialog(); private slots: void energy(); void forces(); void optimize(); void freezeSelected(); void unfreezeSelected(); private: QList m_actions; QtGui::Molecule* m_molecule = nullptr; Calc::EnergyCalculator* m_method = nullptr; std::string m_methodName; bool m_autodetect; // defaults Minimizer m_minimizer = LBFGS; unsigned int m_maxSteps = 100; unsigned int m_nSteps = 5; double m_tolerance = 1.0e-6; double m_gradientTolerance = 1.0e-4; QList m_scripts; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_FORCEFIELD_H avogadrolibs-1.100.0/avogadro/qtplugins/forcefield/forcefielddialog.cpp000066400000000000000000000075541474375334400262760ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "forcefielddialog.h" #include "ui_forcefielddialog.h" #include #include #include #include #include // for log10 namespace Avogadro { namespace QtPlugins { ForceFieldDialog::ForceFieldDialog(const QStringList& forceFields, QWidget* parent_) : QDialog(parent_), ui(new Ui::ForceFieldDialog) { ui->setupUi(this); ui->forceField->addItems(forceFields); updateRecommendedForceField(); connect(ui->useRecommended, SIGNAL(toggled(bool)), SLOT(useRecommendedForceFieldToggled(bool))); QSettings settings; bool autoDetect = settings.value("openbabel/optimizeGeometry/autoDetect", true).toBool(); ui->useRecommended->setChecked(autoDetect); } ForceFieldDialog::~ForceFieldDialog() { delete ui; } QVariantMap ForceFieldDialog::prompt(QWidget* parent_, const QStringList& forceFields, const QVariantMap& startingOptions, const QString& recommendedForceField_) { ForceFieldDialog dlg(forceFields, parent_); dlg.setOptions(startingOptions); dlg.setRecommendedForceField(recommendedForceField_); QVariantMap options; if (static_cast(dlg.exec()) == Accepted) options = dlg.options(); return options; } QVariantMap ForceFieldDialog::options() const { QVariantMap opts; opts["forcefield"] = ui->forceField->currentText(); opts["maxSteps"] = ui->stepLimit->value(); opts["tolerance"] = pow(10, ui->energyConv->value()); opts["gradientTolerance"] = pow(10, ui->gradConv->value()); opts["autodetect"] = ui->useRecommended->isChecked(); return opts; } void ForceFieldDialog::setOptions(const QVariantMap& opts) { if (opts.contains("forcefield") && opts["forcefield"].canConvert()) ui->forceField->setCurrentText(opts["forcefield"].toString()); if (opts.contains("maxSteps") && opts["maxSteps"].canConvert()) ui->stepLimit->setValue(opts["maxSteps"].toInt()); if (opts.contains("tolerance") && opts["tolerance"].canConvert()) ui->energyConv->setValue(log10(opts["tolerance"].toDouble())); if (opts.contains("gradientTolerance") && opts["gradientTolerance"].canConvert()) ui->gradConv->setValue(log10(opts["gradientTolerance"].toDouble())); if (opts.contains("autodetect") && opts["autodetect"].canConvert()) ui->useRecommended->setChecked(opts["autodetect"].toBool()); } void ForceFieldDialog::setRecommendedForceField(const QString& rff) { if (rff == m_recommendedForceField) return; if (ui->forceField->findText(rff) == -1) return; m_recommendedForceField = rff; updateRecommendedForceField(); } void ForceFieldDialog::useRecommendedForceFieldToggled(bool state) { if (!m_recommendedForceField.isEmpty()) { if (state) { int index = ui->forceField->findText(m_recommendedForceField); if (index >= 0) { ui->forceField->setCurrentIndex(index); } } } ui->forceField->setEnabled(!state); QSettings().setValue("forcefield/autoDetect", state); } void ForceFieldDialog::updateRecommendedForceField() { if (m_recommendedForceField.isEmpty()) { ui->useRecommended->hide(); ui->forceField->setEnabled(true); } else { ui->useRecommended->setText( tr("Autodetect (%1)").arg(m_recommendedForceField)); // Force the combo box to update if needed: useRecommendedForceFieldToggled(ui->useRecommended->isChecked()); ui->useRecommended->show(); } } } // namespace QtPlugins } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/forcefield/forcefielddialog.h000066400000000000000000000047561474375334400257440ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_FORCEFIELDDIALOG_H #define AVOGADRO_QTPLUGINS_FORCEFIELDDIALOG_H #include namespace Avogadro { namespace QtPlugins { namespace Ui { class ForceFieldDialog; } /** * @brief The ForceFieldDialog class is used to prompt the user for parameters * to be used in a force field optimization. */ class ForceFieldDialog : public QDialog { Q_OBJECT public: /** * Construct a new dialog using the forcefields in @a forceFields. */ explicit ForceFieldDialog(const QStringList& forceFields, QWidget* parent_ = 0); ~ForceFieldDialog() override; /** * Construct a new dialog using the forcefields in @a forceFields and * initialize the options to those in @a startingOptions (see setOptions). * If the user chooses the recommended force field, @a recommendedForceField_ * will be set. This is useful for preferring a specific force field for a * particular molecule. * When the user closes the dialog, the options they selected are returned. If * the user cancels the dialog, an empty list is returned. */ static QVariantMap prompt(QWidget* parent_, const QStringList& forceFields, const QVariantMap& startingOptions, const QString& recommendedForceField_ = QString()); /** * Get/set the options displayed in the dialog. */ QVariantMap options() const; void setOptions(const QVariantMap& opts); /** * Get/set the recommended forcefield for the current molecule. If an empty * string, the user will not be shown an option to use the recommended * forcefield. * If the string is non-empty (and in the forceFields list passed in the * constructor), the user will have the option of setting the forcefield to * this value. * * @{ */ QString recommendedForceField() const { return m_recommendedForceField; } void setRecommendedForceField(const QString& rff); /**@}*/ private slots: void useRecommendedForceFieldToggled(bool state); private: void updateRecommendedForceField(); Ui::ForceFieldDialog* ui; QString m_recommendedForceField; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_FORCEFIELDDIALOG_H avogadrolibs-1.100.0/avogadro/qtplugins/forcefield/forcefielddialog.ui000066400000000000000000000122031474375334400261140ustar00rootroot00000000000000 Avogadro::QtPlugins::ForceFieldDialog 0 0 365 275 0 0 Geometry Optimization Parameters QLayout::SetFixedSize Qt::Horizontal QDialogButtonBox::Cancel|QDialogButtonBox::Ok Convergence Criteria Energy convergence: Step limit: units 10^ -10 9 -6 steps 0 100000 50 250 Gradient convergence: units 10^ -10 -1 -4 Optimization Method Force field: Autodetect forceField useRecommended energyConv stepLimit buttonBox buttonBox accepted() Avogadro::QtPlugins::ForceFieldDialog accept() 248 254 157 274 buttonBox rejected() Avogadro::QtPlugins::ForceFieldDialog reject() 316 260 286 274 avogadrolibs-1.100.0/avogadro/qtplugins/forcefield/obenergy.cpp000066400000000000000000000154751474375334400246270ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). It links to the Open Babel library, which is released under the GNU GPL v2. ******************************************************************************/ #include "obenergy.h" #include #include #include #include #include #include #include #include #include #include #include #include using namespace OpenBabel; namespace Avogadro::QtPlugins { class OBEnergy::Private { public: // OBMol and OBForceField are owned by this class OBMol* m_obmol = nullptr; OBForceField* m_forceField = nullptr; ~Private() { if (m_obmol != nullptr) delete m_obmol; } }; OBEnergy::OBEnergy(const std::string& method) : m_identifier(method), m_name(method), m_molecule(nullptr) { d = new Private; // make sure we set the Open Babel variables for data files #ifdef _WIN32 QByteArray dataDir = QString(QCoreApplication::applicationDirPath() + "/data").toLocal8Bit(); qputenv("BABEL_DATADIR", dataDir); #else // check if BABEL_DATADIR is set in the environment QStringList filters; filters << "3.*" << "2.*"; if (qgetenv("BABEL_DATADIR").isEmpty()) { QDir dir(QCoreApplication::applicationDirPath() + "/../share/openbabel"); QStringList dirs = dir.entryList(filters); if (dirs.size() == 1) { // versioned data directory QString dataDir = QCoreApplication::applicationDirPath() + "/../share/openbabel/" + dirs[0]; qputenv("BABEL_DATADIR", dataDir.toLocal8Bit()); } else { qDebug() << "Error, Open Babel data directory not found."; } } // Check if BABEL_LIBDIR is set if (qgetenv("BABEL_LIBDIR").isEmpty()) { QDir dir(QCoreApplication::applicationDirPath() + "/../lib/openbabel"); QStringList dirs = dir.entryList(filters); if (dirs.size() == 0) { QString libDir = QCoreApplication::applicationDirPath() + "/../lib/openbabel/"; qputenv("BABEL_LIBDIR", libDir.toLocal8Bit()); } else if (dirs.size() == 1) { QString libDir = QCoreApplication::applicationDirPath() + "/../lib/openbabel/" + dirs[0]; qputenv("BABEL_LIBDIR", libDir.toLocal8Bit()); } else { qDebug() << "Error, Open Babel plugins directory not found."; } } #endif // Ensure the plugins are loaded OBPlugin::LoadAllPlugins(); d->m_forceField = static_cast( OBPlugin::GetPlugin("forcefields", method.c_str())); qDebug() << "OBEnergy: method: " << method.c_str(); if (d->m_forceField == nullptr) { qDebug() << "OBEnergy: method not found: " << method.c_str(); qDebug() << OBPlugin::ListAsString("forcefields").c_str(); } if (method == "UFF") { m_description = tr("Universal Force Field"); m_elements.reset(); for (unsigned int i = 1; i < 102; ++i) m_elements.set(i); } else if (method == "GAFF") { m_description = tr("Generalized Amber Force Field"); // H, C, N, O, F, P, S, Cl, Br, and I m_elements.set(1); m_elements.set(6); m_elements.set(7); m_elements.set(8); m_elements.set(9); m_elements.set(15); m_elements.set(16); m_elements.set(17); m_elements.set(35); m_elements.set(53); } else if (method == "MMFF94") { m_description = tr("Merck Molecular Force Field 94"); m_elements.reset(); // H, C, N, O, F, Si, P, S, Cl, Br, and I m_elements.set(1); m_elements.set(6); m_elements.set(7); m_elements.set(8); m_elements.set(9); m_elements.set(14); m_elements.set(15); m_elements.set(16); m_elements.set(17); m_elements.set(35); m_elements.set(53); } } OBEnergy::~OBEnergy() {} bool OBEnergy::acceptsRadicals() const { if (m_identifier == "UFF") return true; return false; } Calc::EnergyCalculator* OBEnergy::newInstance() const { return new OBEnergy(m_name); } void OBEnergy::setMolecule(Core::Molecule* mol) { m_molecule = mol; if (mol == nullptr || mol->atomCount() == 0) { return; // nothing to do } // set up our internal OBMol d->m_obmol = new OBMol; // copy the atoms, bonds, and coordinates d->m_obmol->BeginModify(); for (size_t i = 0; i < mol->atomCount(); ++i) { const Core::Atom& atom = mol->atom(i); OBAtom* obAtom = d->m_obmol->NewAtom(); obAtom->SetAtomicNum(atom.atomicNumber()); auto pos = atom.position3d().cast(); obAtom->SetVector(pos.x(), pos.y(), pos.z()); } for (size_t i = 0; i < mol->bondCount(); ++i) { const Core::Bond& bond = mol->bond(i); d->m_obmol->AddBond(bond.atom1().index() + 1, bond.atom2().index() + 1, bond.order()); } d->m_obmol->EndModify(); // make sure we can set up the force field if (d->m_forceField != nullptr) { d->m_forceField->Setup(*d->m_obmol); } else { d->m_forceField = static_cast( OBPlugin::GetPlugin("forcefields", m_identifier.c_str())); if (d->m_forceField != nullptr) { d->m_forceField->Setup(*d->m_obmol); } } } Real OBEnergy::value(const Eigen::VectorXd& x) { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return 0.0; // nothing to do // update coordinates in our private OBMol for (size_t i = 0; i < m_molecule->atomCount(); ++i) { Eigen::Vector3d pos(x[i * 3], x[i * 3 + 1], x[i * 3 + 2]); d->m_obmol->GetAtom(i + 1)->SetVector(pos.x(), pos.y(), pos.z()); } double energy = 0.0; if (d->m_forceField != nullptr) { d->m_forceField->SetCoordinates(*d->m_obmol); energy = d->m_forceField->Energy(false); } return energy; } void OBEnergy::gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; // update coordinates in our private OBMol for (size_t i = 0; i < m_molecule->atomCount(); ++i) { Eigen::Vector3d pos(x[i * 3], x[i * 3 + 1], x[i * 3 + 2]); d->m_obmol->GetAtom(i + 1)->SetVector(pos.x(), pos.y(), pos.z()); } if (d->m_forceField != nullptr) { d->m_forceField->SetCoordinates(*d->m_obmol); // make sure gradients are calculated double energy = d->m_forceField->Energy(true); for (size_t i = 0; i < m_molecule->atomCount(); ++i) { OBAtom* atom = d->m_obmol->GetAtom(i + 1); OpenBabel::vector3 obGrad = d->m_forceField->GetGradient(atom); grad[3 * i] = obGrad.x(); grad[3 * i + 1] = obGrad.y(); grad[3 * i + 2] = obGrad.z(); } grad *= -1; // OpenBabel outputs forces, not grads cleanGradients(grad); } } } // namespace Avogadro::QtPlugins #include "obenergy.moc" avogadrolibs-1.100.0/avogadro/qtplugins/forcefield/obenergy.h000066400000000000000000000037271474375334400242710ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). It links to the Open Babel library, which is released under the GNU GPL v2. ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_OBENERGY_H #define AVOGADRO_QTPLUGINS_OBENERGY_H #include #include #include #include namespace Avogadro { namespace QtPlugins { class OBEnergy : public Avogadro::Calc::EnergyCalculator { Q_DECLARE_TR_FUNCTIONS(OBEnergy) public: OBEnergy(const std::string& method = ""); ~OBEnergy() override; std::string method() const { return m_identifier; } void setupProcess(); Calc::EnergyCalculator* newInstance() const override; std::string identifier() const override { return m_identifier; } std::string name() const override { return m_name; } std::string description() const override { return m_description.toStdString(); } Core::Molecule::ElementMask elements() const override { return (m_elements); } // This will check if the molecule is valid for this script // and then start the external process void setMolecule(Core::Molecule* mol) override; // energy Real value(const Eigen::VectorXd& x) override; // gradient (which may be unsupported and fall back to numeric) void gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) override; bool acceptsIons() const override { return true; } // UFF can handle radicals bool acceptsRadicals() const override; private: class Private; Core::Molecule* m_molecule; Private* d; Core::Molecule::ElementMask m_elements; std::string m_identifier; std::string m_name; QString m_description; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_OBENERGY_H avogadrolibs-1.100.0/avogadro/qtplugins/forcefield/obmmenergy.cpp000066400000000000000000000211711474375334400251470ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "obmmenergy.h" #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { OBMMEnergy::OBMMEnergy(const std::string& method) : m_identifier(method), m_name(method), m_process(nullptr), m_molecule(nullptr), #if defined(_WIN32) m_executable("obmm.exe") #else m_executable("obmm") #endif { // eventually CJSON might be nice m_inputFormat = new Io::CmlFormat; if (method == "UFF") { m_description = tr("Universal Force Field"); m_elements.reset(); for (unsigned int i = 1; i < 102; ++i) m_elements.set(i); } else if (method == "GAFF") { m_description = tr("Generalized Amber Force Field"); // H, C, N, O, F, P, S, Cl, Br, and I m_elements.set(1); m_elements.set(6); m_elements.set(7); m_elements.set(8); m_elements.set(9); m_elements.set(15); m_elements.set(16); m_elements.set(17); m_elements.set(35); m_elements.set(53); } else if (method == "MMFF94") { m_description = tr("Merck Molecular Force Field 94"); m_elements.reset(); // H, C, N, O, F, Si, P, S, Cl, Br, and I m_elements.set(1); m_elements.set(6); m_elements.set(7); m_elements.set(8); m_elements.set(9); m_elements.set(14); m_elements.set(15); m_elements.set(16); m_elements.set(17); m_elements.set(35); m_elements.set(53); } } OBMMEnergy::~OBMMEnergy() { delete m_inputFormat; if (m_process != nullptr) delete m_process; } bool OBMMEnergy::acceptsRadicals() const { // UFF will figure something out if (m_identifier == "UFF") return true; return false; } QByteArray OBMMEnergy::writeAndRead(const QByteArray& input) { if (m_process == nullptr) return QByteArray(); QByteArray result, line; m_process->write(input + "\n"); QThread::msleep(1); m_process->waitForReadyRead(5); while (m_process->canReadLine() && !line.startsWith("command >")) { line = m_process->readLine(); result += line; } // check if we've really flushed the output if (!result.contains("invalid command\n command >")) { m_process->write(" \n"); QThread::msleep(1); m_process->waitForReadyRead(5); while (m_process->canReadLine()) { line = m_process->readLine(); result += line; } } result += m_process->readAllStandardOutput(); return result; } void OBMMEnergy::setupProcess() { if (m_process != nullptr) { m_process->kill(); delete m_process; } m_process = new QProcess(); // Read the AVO_OBMM_EXECUTABLE env var to optionally override the // executable used. QByteArray obmmExec = qgetenv("AVO_OBMM_EXECUTABLE"); if (!obmmExec.isEmpty()) { m_executable = obmmExec; } else { // If not overridden, look for an obmm next to the executable. QDir baseDir(QCoreApplication::applicationDirPath()); if (!baseDir.absolutePath().startsWith("/usr/") && QFileInfo(baseDir.absolutePath() + '/' + m_executable).exists()) { m_executable = baseDir.absolutePath() + '/' + m_executable; QProcessEnvironment env = QProcessEnvironment::systemEnvironment(); #if defined(_WIN32) env.insert("BABEL_DATADIR", QCoreApplication::applicationDirPath() + "/data"); #else QDir dir(QCoreApplication::applicationDirPath() + "/../share/openbabel"); QStringList filters; filters << "3.*"; QStringList dirs = dir.entryList(filters); if (dirs.size() == 1) { env.insert("BABEL_DATADIR", QCoreApplication::applicationDirPath() + "/../share/openbabel/" + dirs[0]); } else { qDebug() << "Error, Open Babel data directory not found."; } dir.setPath(QCoreApplication::applicationDirPath() + "/../lib/openbabel"); dirs = dir.entryList(filters); if (dirs.size() == 1) { env.insert("BABEL_LIBDIR", QCoreApplication::applicationDirPath() + "/../lib/openbabel/" + dirs[0]); } else { env.insert("BABEL_LIBDIR", QCoreApplication::applicationDirPath() + "/../lib/openbabel/"); qDebug() << "Error, Open Babel plugins directory not found."; } #endif m_process->setProcessEnvironment(env); } } } Calc::EnergyCalculator* OBMMEnergy::newInstance() const { return new OBMMEnergy(m_name); } void OBMMEnergy::setMolecule(Core::Molecule* mol) { m_molecule = mol; // should check if the molecule is valid for this script // .. this should never happen, but let's be defensive if (mol == nullptr || mol->atomCount() == 0) { return; // nothing to do } setupProcess(); // start the process // we need a tempory file to write the molecule // get a temporary filename QString tempPath = QDir::tempPath(); if (!tempPath.endsWith(QDir::separator())) tempPath += QDir::separator(); QString tempPattern = tempPath + "avogadroOBMMXXXXXX.cml"; m_tempFile.setFileTemplate(tempPattern); if (!m_tempFile.open()) { // appendError("Error creating temporary file."); return; } // write the molecule m_inputFormat->writeFile(m_tempFile.fileName().toStdString(), *mol); m_tempFile.close(); // start the process m_process->start(m_executable, QStringList() << m_tempFile.fileName()); if (!m_process->waitForStarted()) { // appendError("Error starting process."); qDebug() << "OBMM: Error starting process."; return; } QByteArray input, line, result; m_process->waitForReadyRead(); result.clear(); while (!result.contains("command >")) { result += m_process->readLine(); if (!m_process->canReadLine()) break; } result += m_process->readAllStandardOutput(); // set the method m_identifier.c_str() + input = QByteArray("ff ") + m_identifier.c_str(); result = writeAndRead(input); // okay, we need to write "load " to the interpreter // and then read the response input = "load " + m_tempFile.fileName().toLocal8Bit(); result = writeAndRead(input); } Real OBMMEnergy::value(const Eigen::VectorXd& x) { if (m_molecule == nullptr || m_process == nullptr) return 0.0; // nothing to do QByteArray input, result; // write the new coordinates and read the energy input = "coord\n"; for (Index i = 0; i < x.size(); i += 3) { // write as x y z (space separated) input += QString::number(x[i]).toUtf8() + " " + QString::number(x[i + 1]).toUtf8() + " " + QString::number(x[i + 2]).toUtf8() + "\n"; } result = writeAndRead(input); // now ask for the energy input = "energy\n"; result = writeAndRead(input); // go through lines in result until we see "total energy" QStringList lines = QString(result).remove('\r').split('\n'); double energy = 0.0; for (auto line : lines) { if (line.contains("total energy =")) { QStringList items = line.split(" ", Qt::SkipEmptyParts); if (items.size() > 4) energy = items[3].toDouble(); } } return energy; // if conversion fails, returns 0.0 } void OBMMEnergy::gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) { if (m_molecule == nullptr || m_process == nullptr) return; // write the new coordinates and read the energy QByteArray result, input = "coord\n"; for (Index i = 0; i < x.size(); i += 3) { // write as x y z (space separated) input += QString::number(x[i]).toUtf8() + " " + QString::number(x[i + 1]).toUtf8() + " " + QString::number(x[i + 2]).toUtf8() + "\n"; } result = writeAndRead(input); // now ask for the energy input = "grad"; result = writeAndRead(input); // go through lines in result until we see "gradient " QStringList lines = QString(result).remove('\r').split('\n'); bool readingGradient = false; unsigned int i = 0; for (auto line : lines) { if (line.contains("gradient")) { readingGradient = true; continue; } if (readingGradient) { QStringList items = line.split(" ", Qt::SkipEmptyParts); if (items.size() == 3) { grad[3 * i] = items[0].toDouble(); grad[3 * i + 1] = items[1].toDouble(); grad[3 * i + 2] = items[2].toDouble(); ++i; } } } grad *= -1; // OpenBabel outputs forces, not grads cleanGradients(grad); } } // namespace Avogadro::QtPlugins #include "obmmenergy.moc" avogadrolibs-1.100.0/avogadro/qtplugins/forcefield/obmmenergy.h000066400000000000000000000045351474375334400246210ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_OBMMENERGY_H #define AVOGADRO_QTPLUGINS_OBMMENERGY_H #include #include #include #include #include #include class QJsonObject; namespace Avogadro { namespace Io { class FileFormat; } namespace QtPlugins { class OBMMEnergy : public Avogadro::Calc::EnergyCalculator { Q_DECLARE_TR_FUNCTIONS(OBMMEnergy) public: /** Formats that may be written to the script's input. */ enum Format { NotUsed, Cjson, Cml, Mdl, // sdf Pdb, Xyz }; OBMMEnergy(const std::string& method = ""); ~OBMMEnergy() override; std::string method() const { return m_identifier; } void setupProcess(); Calc::EnergyCalculator* newInstance() const override; std::string identifier() const override { return m_identifier; } std::string name() const override { return m_name; } std::string description() const override { return m_description.toStdString(); } Core::Molecule::ElementMask elements() const override { return (m_elements); } // This will check if the molecule is valid for this script // and then start the external process void setMolecule(Core::Molecule* mol) override; // energy Real value(const Eigen::VectorXd& x) override; // gradient (which may be unsupported and fall back to numeric) void gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) override; bool acceptsIons() const override { return true; } // UFF can handle radicals bool acceptsRadicals() const override; /** * @brief Synchronous use of the QProcess. */ QByteArray writeAndRead(const QByteArray& input); private: Core::Molecule* m_molecule; Io::FileFormat* m_inputFormat; QProcess* m_process; QString m_executable; Core::Molecule::ElementMask m_elements; std::string m_identifier; std::string m_name; QString m_description; QTemporaryFile m_tempFile; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_OBMMENERGY_H avogadrolibs-1.100.0/avogadro/qtplugins/forcefield/scriptenergy.cpp000066400000000000000000000271421474375334400255250ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "scriptenergy.h" #include #include // formats supported in scripts #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { ScriptEnergy::ScriptEnergy(const QString& scriptFileName_) : m_interpreter(new QtGui::PythonScript(scriptFileName_)), m_valid(true), m_inputFormat(NotUsed), m_gradients(false), m_ions(false), m_radicals(false), m_unitCells(false) { m_elements.reset(); readMetaData(); } ScriptEnergy::~ScriptEnergy() { delete m_interpreter; } QString ScriptEnergy::scriptFilePath() const { return m_interpreter->scriptFilePath(); } Calc::EnergyCalculator* ScriptEnergy::newInstance() const { return new ScriptEnergy(m_interpreter->scriptFilePath()); } void ScriptEnergy::setMolecule(Core::Molecule* mol) { m_molecule = mol; // should check if the molecule is valid for this script // .. this should never happen, but let's be defensive if (mol == nullptr || m_interpreter == nullptr) { return; // nothing to do } if (!m_unitCells && mol->unitCell()) { // appendError("Unit cell not supported for this script."); return; } if (!m_ions && mol->totalCharge() != 0) { // appendError("Ionized molecules not supported for this script."); return; } if (!m_radicals && mol->totalSpinMultiplicity() != 1) { // appendError("Radical molecules not supported for this script."); return; } // start the process // we need a tempory file to write the molecule QScopedPointer format(createFileFormat(m_inputFormat)); if (format.isNull()) { // appendError("Invalid input format."); return; } // get a temporary filename QString tempPath = QDir::tempPath(); if (!tempPath.endsWith(QDir::separator())) tempPath += QDir::separator(); QString tempPattern = tempPath + "avogadroenergyXXXXXX." + format->fileExtensions()[0].c_str(); m_tempFile.setFileTemplate(tempPattern); if (!m_tempFile.open()) { // appendError("Error creating temporary file."); return; } // write the molecule format->writeFile(m_tempFile.fileName().toStdString(), *mol); m_tempFile.close(); // construct the command line options QStringList options; options << "-f" << m_tempFile.fileName(); // if there was a previous process, kill it m_interpreter->asyncTerminate(); // start the interpreter m_interpreter->asyncExecute(options); } Real ScriptEnergy::value(const Eigen::VectorXd& x) { if (m_molecule == nullptr || m_interpreter == nullptr) return 0.0; // nothing to do // write the new coordinates and read the energy QByteArray input; for (Index i = 0; i < x.size(); i += 3) { // write as x y z (space separated) input += QString::number(x[i]).toUtf8() + " " + QString::number(x[i + 1]).toUtf8() + " " + QString::number(x[i + 2]).toUtf8() + "\n"; } // qDebug() << " wrote coords "; QByteArray result = m_interpreter->asyncWriteAndResponse(input); // qDebug() << " got result " << result; // go through lines in result until we see "AvogadroEnergy: " QStringList lines = QString(result).remove('\r').split('\n'); double energy = 0.0; for (auto line : lines) { if (line.startsWith("AvogadroEnergy:")) { QStringList items = line.split(" ", Qt::SkipEmptyParts); if (items.size() > 1) { energy = items[1].toDouble(); break; } } } return energy; // if conversion fails, returns 0.0 } void ScriptEnergy::gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) { if (!m_gradients) { EnergyCalculator::gradient(x, grad); return; } // Get the gradient from the script // write the new coordinates and read the energy QByteArray input; for (Index i = 0; i < x.size(); i += 3) { // write as x y z (space separated) input += QString::number(x[i]).toUtf8() + " " + QString::number(x[i + 1]).toUtf8() + " " + QString::number(x[i + 2]).toUtf8() + "\n"; } QByteArray result = m_interpreter->asyncWriteAndResponse(input); // parse the result // first split on newlines QStringList lines = QString(result).remove('\r').split('\n'); unsigned int i = 0; bool readingGrad = false; for (auto line : lines) { if (line.startsWith("AvogadroGradient:")) { readingGrad = true; continue; // next line } if (readingGrad) { QStringList items = line.split(" ", Qt::SkipEmptyParts); if (items.size() == 3) { grad[i] = items[0].toDouble(); grad[i + 1] = items[1].toDouble(); grad[i + 2] = items[2].toDouble(); i += 3; } if (i > x.size()) break; } } cleanGradients(grad); } ScriptEnergy::Format ScriptEnergy::stringToFormat(const std::string& str) { if (str == "cjson") return Cjson; else if (str == "cml") return Cml; else if (str == "mdl" || str == "mol") return Mdl; else if (str == "pdb") return Pdb; else if (str == "sdf") return Sdf; else if (str == "xyz") return Xyz; return NotUsed; } Io::FileFormat* ScriptEnergy::createFileFormat(ScriptEnergy::Format fmt) { switch (fmt) { case Cjson: return new Io::CjsonFormat; case Cml: return new Io::CmlFormat; case Mdl: return new Io::MdlFormat; case Pdb: return new Io::PdbFormat; case Sdf: return new Io::SdfFormat; case Xyz: return new Io::XyzFormat; default: case NotUsed: return nullptr; } } void ScriptEnergy::resetMetaData() { m_valid = false; m_gradients = false; m_ions = false; m_radicals = false; m_unitCells = false; m_inputFormat = NotUsed; m_identifier.clear(); m_name.clear(); m_description.clear(); m_formatString.clear(); m_elements.reset(); } void ScriptEnergy::readMetaData() { resetMetaData(); QByteArray output(m_interpreter->execute(QStringList() << "--metadata")); if (m_interpreter->hasErrors()) { qWarning() << tr("Error retrieving metadata for energy script: %1") .arg(scriptFilePath()) << "\n" << m_interpreter->errorList(); return; } QJsonParseError parseError; QJsonDocument doc(QJsonDocument::fromJson(output, &parseError)); if (parseError.error != QJsonParseError::NoError) { qWarning() << tr("Error parsing metadata for energy script: %1") .arg(scriptFilePath()) << "\n" << parseError.errorString(); return; } if (!doc.isObject()) { qWarning() << tr("Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n") .arg(scriptFilePath()); return; } const QJsonObject metaData(doc.object()); // Read required inputs first. std::string identifierTmp; if (!parseString(metaData, "identifier", identifierTmp)) { qWarning() << "Error parsing metadata for energy script:" << scriptFilePath() << "\n" << "Error parsing required member 'identifier'" << "\n" << output; return; } m_identifier = identifierTmp; std::string nameTmp; if (!parseString(metaData, "name", nameTmp)) { qWarning() << "Error parsing metadata for energy script:" << scriptFilePath() << "\n" << "Error parsing required member 'name'" << "\n" << output; return; } m_name = nameTmp; std::string descriptionTmp; parseString(metaData, "description", descriptionTmp); m_description = descriptionTmp; // optional Format inputFormatTmp = NotUsed; std::string inputFormatStrTmp; if (!parseString(metaData, "inputFormat", inputFormatStrTmp)) { qWarning() << "Error parsing metadata for energy script:" << scriptFilePath() << "\n" << "Member 'inputFormat' required for writable formats." << "\n" << output; return; } m_formatString = inputFormatStrTmp.c_str(); // for the json key // Validate the input format inputFormatTmp = stringToFormat(inputFormatStrTmp); if (inputFormatTmp == NotUsed) { qWarning() << "Error parsing metadata for energy script:" << scriptFilePath() << "\n" << "Member 'inputFormat' not recognized:" << inputFormatStrTmp.c_str() << "\nValid values are cjson, cml, mdl/sdf, pdb, or xyz.\n" << output; return; } m_inputFormat = inputFormatTmp; // check ions, radicals, unit cells /* e.g., "unitCell": False, "gradients": True, "ion": False, "radical": False, */ if (!metaData["gradients"].isBool()) { return; // not valid } m_gradients = metaData["gradients"].toBool(); if (!metaData["unitCell"].isBool()) { return; // not valid } m_unitCells = metaData["unitCell"].toBool(); if (!metaData["ion"].isBool()) { return; // not valid } m_ions = metaData["ion"].toBool(); if (!metaData["radical"].isBool()) { return; // not valid } m_radicals = metaData["radical"].toBool(); // get the element mask // (if it doesn't exist, the default is no elements anyway) m_valid = parseElements(metaData); } bool ScriptEnergy::parseString(const QJsonObject& ob, const QString& key, std::string& str) { if (!ob[key].isString()) return false; str = ob[key].toString().toStdString(); return !str.empty(); } void ScriptEnergy::processElementString(const QString& str) { // parse the QString // first turn any commas into whitespace QString str2(str); str2.replace(',', ' '); // then split on whitespace QStringList strList = str2.split(QRegularExpression("\\s+"), Qt::SkipEmptyParts); foreach (QString sstr, strList) { // these should be numbers or ranges (e.g., 1-84) if (sstr.contains('-')) { // range, so split on the dash QStringList strList2 = sstr.split('-'); if (strList2.size() != 2) return; // get the two numbers bool ok; int start = strList2[0].toInt(&ok); if (!ok || start < 1 || start > 119) return; int end = strList2[1].toInt(&ok); if (!ok || end < 1 || end > 119) return; for (int i = start; i <= end; ++i) m_elements.set(i); } bool ok; int i = sstr.toInt(&ok); if (!ok || i < 1 || i > 119) return; m_elements.set(i); } } bool ScriptEnergy::parseElements(const QJsonObject& object) { m_elements.reset(); // we could either get a string or an array (of numbers) if (object["elements"].isString()) { auto str = object["elements"].toString(); processElementString(str); } else if (object["elements"].isArray()) { QJsonArray arr = object["elements"].toArray(); for (auto&& i : arr) { if (i.isString()) { processElementString(i.toString()); } else if (i.isDouble()) { int element = i.toInt(); if (element >= 1 && element <= 119) // check the range m_elements.set(element); } } } return true; } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/forcefield/scriptenergy.h000066400000000000000000000056061474375334400251730ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SCRIPTENERGY_H #define AVOGADRO_QTPLUGINS_SCRIPTENERGY_H #include #include #include #include #include class QJsonObject; namespace Avogadro { namespace Io { class FileFormat; } namespace QtGui { class PythonScript; } namespace QtPlugins { class ScriptEnergy : public Avogadro::Calc::EnergyCalculator { Q_DECLARE_TR_FUNCTIONS(ScriptEnergy) public: /** Formats that may be written to the script's input. */ enum Format { NotUsed, Cjson, Cml, Mdl, Pdb, Sdf, Xyz }; ScriptEnergy(const QString& scriptFileName = ""); ~ScriptEnergy() override; QString scriptFilePath() const; Format inputFormat() const { return m_inputFormat; } bool isValid() const { return m_valid; } Calc::EnergyCalculator* newInstance() const override; std::string identifier() const override { return m_identifier; } std::string name() const override { return m_name; } std::string description() const override { return m_description; } Core::Molecule::ElementMask elements() const override { return m_elements; } bool supportsGradients() const { return m_gradients; } bool acceptsIons() const override { return m_ions; } bool acceptsRadicals() const override { return m_radicals; } bool acceptsUnitCell() const override { return m_unitCells; } // This will check if the molecule is valid for this script // and then start the external process void setMolecule(Core::Molecule* mol) override; // energy Real value(const Eigen::VectorXd& x) override; // gradient (which may be unsupported and fall back to numeric) void gradient(const Eigen::VectorXd& x, Eigen::VectorXd& grad) override; private: static Format stringToFormat(const std::string& str); static Io::FileFormat* createFileFormat(Format fmt); void resetMetaData(); void readMetaData(); bool parseString(const QJsonObject& ob, const QString& key, std::string& str); void processElementString(const QString& str); bool parseElements(const QJsonObject& ob); private: QtGui::PythonScript* m_interpreter; Format m_inputFormat; Core::Molecule* m_molecule; // what's supported by this script Core::Molecule::ElementMask m_elements; bool m_valid; bool m_gradients; bool m_ions; bool m_radicals; bool m_unitCells; std::string m_identifier; std::string m_name; std::string m_description; QString m_formatString; QTemporaryFile m_tempFile; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_SCRIPTENERGY_H avogadrolibs-1.100.0/avogadro/qtplugins/gamessinput/000077500000000000000000000000001474375334400225325ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/gamessinput/CMakeLists.txt000066400000000000000000000005041474375334400252710ustar00rootroot00000000000000# Extension set(gamessinput_srcs gamessinputdialog.cpp gamesshighlighter.cpp gamessinput.cpp ) avogadro_plugin(GamessInput "GAMESS input file generation" ExtensionPlugin gamessinput.h GamessInput "${gamessinput_srcs}" gamessinputdialog.ui ) target_link_libraries(GamessInput PRIVATE Avogadro::MoleQueue) avogadrolibs-1.100.0/avogadro/qtplugins/gamessinput/gamesshighlighter.cpp000066400000000000000000000224611474375334400267410ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2009 Marcus D. Hanwell This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #include "gamesshighlighter.h" namespace Avogadro::QtPlugins { GamessHighlighter::GamessHighlighter(QTextDocument* parent_) : QSyntaxHighlighter(parent_) { HighlightingRule rule; m_keywordFormat.setForeground(Qt::darkBlue); m_keywordFormat.setFontWeight(QFont::Bold); m_keywords << R"(\s\$BASIS\b)" << R"(\s\$CONTRL\b)" << R"(\s\$SYSTEM\b)" << R"(\s\$ZMAT\b)" << R"(\s\$LIBE\b)" << R"(\s\$SCF\b)" << R"(\s\$SCFMI\b)" << R"(\s\$DFT\b)" << R"(\s\$TDDFT\b)" << R"(\s\$CIS\b)" << R"(\s\$CISVEC\b)" << R"(\s\$MP2\b)" << R"(\s\$CCINP\b)" << R"(\s\$EOMINP\b)" << R"(\s\$MOPAC\b)" << R"(\s\$GUESS\b)" << R"(\s\$VEC\b)" << R"(\s\$MOFRZ\b)" << R"(\s\$STATPT\b)" << R"(\s\$TRUDGE\b)" << R"(\s\$TRURST\b)" << R"(\s\$FORCE\b)" << R"(\s\$CPHF\b)" << R"(\s\$MASS\b)" << R"(\s\$HESS\b)" << R"(\s\$GRAD\b)" << R"(\s\$DIPDR\b)" << R"(\s\$VIB\b)" << R"(\s\$VIB2\b)" << R"(\s\$VSCF\b)" << R"(\s\$VIBSCF\b)" << R"(\s\$GAMMA\b)" << R"(\s\$EQGEOM\b)" << R"(\s\$HLOWT\b)" << R"(\s\$GLOWT\b)" << R"(\s\$IRC\b)" << R"(\s\$DRC\b)" << R"(\s\$MEX\b)" << R"(\s\$MD\b)" << R"(\s\$RDF\b)" << R"(\s\$GLOBOP\b)" << R"(\s\$GRADEX\b)" << R"(\s\$SURF\b)" << R"(\s\$LOCAL\b)" << R"(\s\$TWOEI\b)" << R"(\s\$TRUNCN\b)" << R"(\s\$ELMOM\b)" << R"(\s\$ELPOT\b)" << R"(\s\$ELDENS\b)" << R"(\s\$ELFLDG\b)" << R"(\s\$POINTS\b)" << R"(\s\$GRID\b)" << R"(\s\$PDC\b)" << R"(\s\$MOLGRF\b)" << R"(\s\$STONE\b)" << R"(\s\$RAMAN\b)" << R"(\s\$ALPDR\b)" << R"(\s\$NMR\b)" << R"(\s\$MOROKM\b)" << R"(\s\$FFCALC\b)" << R"(\s\$TDHF\b)" << R"(\s\$TDHFX\b)" << R"(\s\$EFRAG\b)" << R"(\s\$FRAGNAME\b)" << R"(\s\$FRGRPL\b)" << R"(\s\$EWALD\b)" << R"(\s\$MAKEFP\b)" << R"(\s\$PRTEFP\b)" << R"(\s\$DAMP\b)" << R"(\s\$DAMPGS\b)" << R"(\s\$PCM\b)" << R"(\s\$PCMGRD\b)" << R"(\s\$PCMCAV\b)" << R"(\s\$TESCAV\b)" << R"(\s\$NEWCAV\b)" << R"(\s\$IEFPCM\b)" << R"(\s\$PCMITR\b)" << R"(\s\$DISBS\b)" << R"(\s\$DISREP\b)" << R"(\s\$SVP\b)" << R"(\s\$SVPIRF\b)" << R"(\s\$COSGMS\b)" << R"(\s\$SCRF\b)" << R"(\s\$ECP\b)" << R"(\s\$MCP\b)" << R"(\s\$RELWFN\b)" << R"(\s\$EFIELD\b)" << R"(\s\$INTGRL\b)" << R"(\s\$FMM\b)" << R"(\s\$TRANS\b)" << R"(\s\$FMO\b)" << R"(\s\$FMOPRP\b)" << R"(\s\$FMOXYZ\b)" << R"(\s\$OPTFMO\b)" << R"(\s\$FMOHYB\b)" << R"(\s\$FMOBND\b)" << R"(\s\$FMOENM\b)" << R"(\s\$FMOEND\b)" << R"(\s\$OPTRST\b)" << R"(\s\$GDDI\b)" << R"(\s\$ELG\b)" << R"(\s\$DANDC\b)" << R"(\s\$DCCORR\b)" << R"(\s\$SUBSCF\b)" << R"(\s\$SUBCOR\b)" << R"(\s\$MP2RES\b)" << R"(\s\$CCRES\b)" << R"(\s\$CIINP\b)" << R"(\s\$DET\b)" << R"(\s\$CIDET\b)" << R"(\s\$GEN\b)" << R"(\s\$CIGEN\b)" << R"(\s\$ORMAS\b)" << R"(\s\$CEEIS\b)" << R"(\s\$CEDATA\b)" << R"(\s\$GCILST\b)" << R"(\s\$GMCPT\b)" << R"(\s\$PDET\b)" << R"(\s\$ADDDET\b)" << R"(\s\$REMDET\b)" << R"(\s\$SODET\b)" << R"(\s\$DRT\b)" << R"(\s\$CIDRT\b)" << R"(\s\$MCSCF\b)" << R"(\s\$MRMP\b)" << R"(\s\$DETPT\b)" << R"(\s\$MCQDPT\b)" << R"(\s\$CASCI\b)" << R"(\s\$IVOORB\b)" << R"(\s\$CISORT\b)" << R"(\s\$GUGEM\b)" << R"(\s\$GUGDIA\b)" << R"(\s\$GUGDM\b)" << R"(\s\$GUGDM2\b)" << R"(\s\$LAGRAN\b)" << R"(\s\$TRFDM2\b)" << R"(\s\$TRANST\b)" << R"(\s\$DATA\b)"; rule.format = m_keywordFormat; foreach (const QString& pattern, m_keywords) { rule.pattern = QRegularExpression(pattern); m_highlightingRules.append(rule); } rule.pattern = QRegularExpression(R"(\s\$END\b)"); m_highlightingRules.append(rule); m_singleLineCommentFormat.setForeground(Qt::green); rule.pattern = QRegularExpression("![^\n]*"); rule.format = m_singleLineCommentFormat; m_highlightingRules.append(rule); m_numberFormat.setForeground(Qt::blue); rule.pattern = QRegularExpression(R"((\b|[\s-])[0-9]+\.([0-9]+\b)?|\.[0-9]+\b)"); rule.format = m_numberFormat; m_highlightingRules.append(rule); m_numberFormat.setForeground(Qt::blue); rule.pattern = QRegularExpression(R"((\b|[\s-])[0-9]+\.([0-9]+\b)?|\.[0-9]+\b)"); rule.format = m_numberFormat; m_highlightingRules.append(rule); rule.pattern = QRegularExpression(R"((\b|[\s-])[0-9]+([0-9]+\b)?|\.[0-9]+\b)"); rule.format = m_numberFormat; m_highlightingRules.append(rule); m_inDataBlockFormat.setForeground(Qt::gray); m_errorFormat.setForeground(Qt::red); m_errorFormat.setBackground(Qt::yellow); } void GamessHighlighter::highlightBlock(const QString& text) { // Single line comments QRegularExpression pattern("![^\n]*"); QRegularExpressionMatch commentMatch = pattern.match(text); if (commentMatch.hasMatch()) setFormat(commentMatch.capturedStart(), commentMatch.capturedLength(), m_singleLineCommentFormat); setCurrentBlockState(0); int startIndex = 0; int keywordLength = 0; if (previousBlockState() != 1) { foreach (const QString& regexString, m_keywords) { QRegularExpression startExpression( regexString, QRegularExpression::CaseInsensitiveOption); QRegularExpressionMatch startMatch = startExpression.match(text); startIndex = startMatch.capturedStart(); keywordLength = startMatch.capturedLength(); if (startMatch.hasMatch()) { setFormat(startIndex, keywordLength, m_keywordFormat); break; } } } while (startIndex >= 0) { QRegularExpression endExpression(R"(\s\$END\b)", QRegularExpression::CaseInsensitiveOption); QRegularExpressionMatch match = endExpression.match(text, startIndex); int endIndex = match.capturedStart(); int blockLength; if (endIndex == -1) { setCurrentBlockState(1); blockLength = text.length() - startIndex - keywordLength; } else { setFormat(endIndex, match.capturedLength(), m_keywordFormat); blockLength = endIndex - startIndex - keywordLength; } setFormat(startIndex + keywordLength, blockLength, m_inDataBlockFormat); bool found = false; foreach (const QString& regexString, m_keywords) { QRegularExpression newExpression(regexString); QRegularExpressionMatch newMatch = newExpression.match(text, startIndex + blockLength); int index = newMatch.capturedStart(); if (index > startIndex) { found = true; startIndex = index; keywordLength = newMatch.capturedLength(); setFormat(startIndex, keywordLength, m_keywordFormat); break; } } if (!found) break; } if (previousBlockState() == 1) { // Anything outside of data blocks is a comment foreach (const HighlightingRule& rule, m_highlightingRules) { QRegularExpression otherExpression(rule.pattern); otherExpression.setPatternOptions( QRegularExpression::CaseInsensitiveOption); QRegularExpressionMatchIterator iterator = otherExpression.globalMatch(text); while (iterator.hasNext()) { QRegularExpressionMatch otherMatch = iterator.next(); int index = otherMatch.capturedStart(); int length = otherMatch.capturedLength(); setFormat(index, length, rule.format); } } } // Anything over 80 columns will not be read if (text.length() > 80) setFormat(80, text.length(), m_errorFormat); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/gamessinput/gamesshighlighter.h000066400000000000000000000023731474375334400264060ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef GAMESSHIGHLIGHTER_H #define GAMESSHIGHLIGHTER_H #include #include #include #include class QTextDocument; namespace Avogadro { namespace QtPlugins { class GamessHighlighter : public QSyntaxHighlighter { Q_OBJECT public: GamessHighlighter(QTextDocument* parent_ = nullptr); protected: void highlightBlock(const QString& text) override; private: struct HighlightingRule { QRegularExpression pattern; QTextCharFormat format; }; QVector m_highlightingRules; QStringList m_keywords; QRegularExpression m_commentStartExpression; QRegularExpression m_commentEndExpression; QTextCharFormat m_keywordFormat; QTextCharFormat m_numberFormat; QTextCharFormat m_singleLineCommentFormat; QTextCharFormat m_inDataBlockFormat; QTextCharFormat m_errorFormat; }; } // End namespace QtPlugins } // End namespace Avogadro #endif // GAMESSHIGHLIGHTER_H avogadrolibs-1.100.0/avogadro/qtplugins/gamessinput/gamessinput.cpp000066400000000000000000000055061474375334400256030ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "gamessinput.h" #include "gamessinputdialog.h" #include #include #include #include #include #include #include namespace Avogadro { namespace Core { class Molecule; } namespace QtPlugins { using MoleQueue::JobObject; GamessInput::GamessInput(QObject* parent_) : ExtensionPlugin(parent_), m_action(new QAction(this)), m_molecule(nullptr), m_dialog(nullptr), m_outputFormat(nullptr) { m_action->setEnabled(true); m_action->setText(tr("&GAMESS…")); connect(m_action, SIGNAL(triggered()), SLOT(menuActivated())); } GamessInput::~GamessInput() {} QList GamessInput::actions() const { QList actions_; actions_.append(m_action); return actions_; } QStringList GamessInput::menuPath(QAction*) const { QStringList path; path << tr("&Input"); return path; } void GamessInput::setMolecule(QtGui::Molecule* mol) { if (m_dialog) m_dialog->setMolecule(mol); m_molecule = mol; } void GamessInput::openJobOutput(const JobObject& job) { m_outputFormat = nullptr; m_outputFileName.clear(); QString outputPath(job.value("outputDirectory").toString()); using QtGui::FileFormatDialog; FileFormatDialog::FormatFilePair result = FileFormatDialog::fileToRead( qobject_cast(parent()), tr("Open Output File"), outputPath); if (result.first == nullptr) // User canceled return; m_outputFormat = result.first; m_outputFileName = result.second; emit moleculeReady(1); } bool GamessInput::readMolecule(QtGui::Molecule& mol) { Io::FileFormat* reader = m_outputFormat->newInstance(); bool success = reader->readFile(m_outputFileName.toStdString(), mol); if (!success) { QMessageBox::information(qobject_cast(parent()), tr("Error"), tr("Error reading output file '%1':\n%2") .arg(m_outputFileName) .arg(QString::fromStdString(reader->error()))); } m_outputFormat = nullptr; m_outputFileName.clear(); return success; } void GamessInput::menuActivated() { if (!m_dialog) { m_dialog = new GamessInputDialog(qobject_cast(parent())); connect(m_dialog, SIGNAL(openJobOutput(Avogadro::MoleQueue::JobObject)), this, SLOT(openJobOutput(Avogadro::MoleQueue::JobObject))); } m_dialog->setMolecule(m_molecule); m_dialog->show(); } } // namespace QtPlugins } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/gamessinput/gamessinput.h000066400000000000000000000030341474375334400252420ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_GAMESSINPUT_H #define AVOGADRO_QTPLUGINS_GAMESSINPUT_H #include class QAction; class QDialog; namespace Avogadro { namespace Io { class FileFormat; } namespace MoleQueue { class JobObject; } namespace QtPlugins { class GamessInputDialog; class GamessInput : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit GamessInput(QObject* parent = nullptr); ~GamessInput() override; QString name() const override { return tr("GAMESS input"); } QString description() const override { return tr("Generate input for GAMESS."); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule* mol) override; public slots: /** * Emitted when the user requests that a job's output be loaded in Avogadro. */ void openJobOutput(const MoleQueue::JobObject& job); bool readMolecule(QtGui::Molecule& mol) override; private slots: void menuActivated(); private: QAction* m_action; QtGui::Molecule* m_molecule; GamessInputDialog* m_dialog; const Io::FileFormat* m_outputFormat; QString m_outputFileName; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_GAMESSINPUT_H avogadrolibs-1.100.0/avogadro/qtplugins/gamessinput/gamessinputdialog.cpp000066400000000000000000000455271474375334400267720ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "gamessinputdialog.h" #include "gamesshighlighter.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::MoleQueue::JobObject; using Avogadro::MoleQueue::MoleQueueDialog; using Avogadro::MoleQueue::MoleQueueManager; namespace Avogadro::QtPlugins { enum CalculateOption { CalculateSinglePoint = 0, CalculateEquilibriumGeometry, CalculateTransitionState, CalculateFrequencies, CalculateCount }; enum TheoryOption { TheoryAM1 = 0, TheoryPM3, TheoryRHF, TheoryB3LYP, TheoryMP2, TheoryCCSDT, TheoryCount }; enum BasisOption { BasisSTO3G = 0, BasisMINI, Basis321G, Basis631Gd, Basis631Gdp, Basis631PlusGdp, Basis631PlusG2dp, Basis6311PlusPlusG2dp, BasisCorePotential, BasisCount }; enum StateOption { StateGas = 0, StateWater, StateCount }; enum MultiplicityOption { MultiplicitySinglet = 0, MultiplicityDoublet, MultiplicityTriplet, MultiplicityCount }; enum ChargeOption { ChargeDication = 0, ChargeCation, ChargeNeutral, ChargeAnion, ChargeDianion, ChargeCount }; GamessInputDialog::GamessInputDialog(QWidget* parent_, Qt::WindowFlags f) : QDialog(parent_, f), m_molecule(nullptr), m_highlighter(nullptr), m_updatePending(false) { ui.setupUi(this); m_highlighter = new GamessHighlighter(ui.previewText->document()); buildOptions(); connectBasic(); connectPreview(); connectButtons(); setBasicDefaults(); updatePreviewText(); } GamessInputDialog::~GamessInputDialog() {} void GamessInputDialog::setMolecule(QtGui::Molecule* mol) { if (mol == m_molecule) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; connect(mol, SIGNAL(changed(unsigned int)), SLOT(updatePreviewText())); connect(mol, SIGNAL(changed(unsigned int)), SLOT(updateTitlePlaceholder())); updateTitlePlaceholder(); updatePreviewText(); } void GamessInputDialog::showEvent(QShowEvent* e) { QWidget::showEvent(e); // Update the preview text if an update was requested while hidden. Use a // single shot to allow the dialog to show before popping up any warnings. if (m_updatePending) QTimer::singleShot(0, this, SLOT(updatePreviewText())); } void GamessInputDialog::connectBasic() { connect(ui.titleEdit, SIGNAL(textChanged(QString)), this, SLOT(updatePreviewText())); connect(ui.calculateCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.calculateCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updateTitlePlaceholder())); connect(ui.theoryCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.theoryCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updateTitlePlaceholder())); connect(ui.basisCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.basisCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updateTitlePlaceholder())); connect(ui.stateCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.multiplicityCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); connect(ui.chargeCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updatePreviewText())); } void GamessInputDialog::connectPreview() {} void GamessInputDialog::connectButtons() { connect(ui.resetAllButton, SIGNAL(clicked()), SLOT(resetClicked())); connect(ui.defaultsButton, SIGNAL(clicked()), SLOT(defaultsClicked())); connect(ui.generateButton, SIGNAL(clicked()), SLOT(generateClicked())); connect(ui.computeButton, SIGNAL(clicked()), SLOT(computeClicked())); connect(ui.closeButton, SIGNAL(clicked()), SLOT(close())); } void GamessInputDialog::buildOptions() { buildCalculateOptions(); buildTheoryOptions(); buildBasisOptions(); buildStateOptions(); buildMultiplicityOptions(); buildChargeOptions(); } void GamessInputDialog::updateOptionCache() { m_optionCache.clear(); m_optionCache.insert(ui.calculateCombo, ui.calculateCombo->currentIndex()); m_optionCache.insert(ui.theoryCombo, ui.theoryCombo->currentIndex()); m_optionCache.insert(ui.basisCombo, ui.basisCombo->currentIndex()); m_optionCache.insert(ui.stateCombo, ui.stateCombo->currentIndex()); m_optionCache.insert(ui.multiplicityCombo, ui.multiplicityCombo->currentIndex()); m_optionCache.insert(ui.chargeCombo, ui.chargeCombo->currentIndex()); } void GamessInputDialog::restoreOptionCache() { foreach (QComboBox* combo, m_optionCache.keys()) { combo->blockSignals(true); combo->setCurrentIndex(m_optionCache.value(combo, 0)); combo->blockSignals(false); } } void GamessInputDialog::buildCalculateOptions() { for (int i = 0; i < static_cast(CalculateCount); ++i) { QString text = ""; switch (static_cast(i)) { case CalculateSinglePoint: text = tr("Single Point"); break; case CalculateEquilibriumGeometry: text = tr("Equilibrium Geometry"); break; case CalculateTransitionState: text = tr("Transition State"); break; case CalculateFrequencies: text = tr("Frequencies"); break; default: break; } ui.calculateCombo->addItem(text); } } void GamessInputDialog::buildTheoryOptions() { for (int i = 0; i < static_cast(TheoryCount); ++i) { QString text = ""; switch (static_cast(i)) { case TheoryAM1: text = "AM1"; break; case TheoryPM3: text = "PM3"; break; case TheoryRHF: text = "RHF"; break; case TheoryB3LYP: text = "B3LYP"; break; case TheoryMP2: text = "MP2"; break; case TheoryCCSDT: text = "CCSD(T)"; break; default: break; } ui.theoryCombo->addItem(text); } } void GamessInputDialog::buildBasisOptions() { for (int i = 0; i < static_cast(BasisCount); ++i) { QString text = ""; switch (static_cast(i)) { case BasisSTO3G: text = "STO-3G"; break; case BasisMINI: text = "MINI"; break; case Basis321G: text = "3-21 G"; break; case Basis631Gd: text = "6-31 G(d)"; break; case Basis631Gdp: text = "6-31 G(d,p)"; break; case Basis631PlusGdp: text = "6-31+G(d,p)"; break; case Basis631PlusG2dp: text = "6-31+G(2d,p)"; break; case Basis6311PlusPlusG2dp: text = "6-311++G(2d,p)"; break; case BasisCorePotential: text = tr("Core Potential"); break; default: break; } ui.basisCombo->addItem(text); } } void GamessInputDialog::buildStateOptions() { for (int i = 0; i < static_cast(StateCount); ++i) { QString text = ""; switch (static_cast(i)) { case StateGas: text = tr("Gas"); break; case StateWater: text = tr("Water"); break; default: break; } ui.stateCombo->addItem(text); } } void GamessInputDialog::buildMultiplicityOptions() { for (int i = 0; i < static_cast(MultiplicityCount); ++i) { QString text = ""; switch (static_cast(i)) { case MultiplicitySinglet: text = tr("Singlet"); break; case MultiplicityDoublet: text = tr("Doublet"); break; case MultiplicityTriplet: text = tr("Triplet"); break; default: break; } ui.multiplicityCombo->addItem(text); } } void GamessInputDialog::buildChargeOptions() { for (int i = 0; i < static_cast(ChargeCount); ++i) { QString text = ""; switch (static_cast(i)) { case ChargeDication: text = tr("Dication"); break; case ChargeCation: text = tr("Cation"); break; case ChargeNeutral: text = tr("Neutral"); break; case ChargeAnion: text = tr("Anion"); break; case ChargeDianion: text = tr("Dianion"); break; default: break; } ui.chargeCombo->addItem(text); } } void GamessInputDialog::setBasicDefaults() { ui.titleEdit->setText(QString()); ui.calculateCombo->setCurrentIndex(CalculateSinglePoint); ui.theoryCombo->setCurrentIndex(TheoryB3LYP); ui.basisCombo->setCurrentIndex(Basis321G); ui.stateCombo->setCurrentIndex(StateGas); ui.multiplicityCombo->setCurrentIndex(MultiplicitySinglet); ui.chargeCombo->setCurrentIndex(ChargeNeutral); } QString GamessInputDialog::generateJobTitle() const { QString calculation(ui.calculateCombo->currentText()); QString theory(ui.theoryCombo->currentText()); QString basis(ui.basisCombo->currentText()); QString formula(m_molecule ? QString::fromStdString(m_molecule->formula()) : tr("[no molecule]")); // Merge theory/basis into theory theory += "/" + basis; theory.replace(QRegularExpression("\\s+"), ""); return QString("%1 | %2 | %3").arg(formula, calculation, theory); } void GamessInputDialog::updatePreviewText() { // If the dialog is not shown, delay the update in case we need to prompt the // user to overwrite changes. Set the m_updatePending flag to true so we'll // know to update in the show event. if (!isVisible()) { m_updatePending = true; return; } m_updatePending = false; // Has the preview text been modified? if (ui.previewText->document()->isModified()) { QString message = tr("The input file has been modified. " "Would you like to overwrite your changes to reflect " "the new geometry or job options?"); int response = QMessageBox::question( this, tr("Overwrite modified input file?"), message, QMessageBox::Yes | QMessageBox::No, QMessageBox::No); if (static_cast(response) != QMessageBox::Yes) { restoreOptionCache(); return; } } // Gather options: QString title(ui.titleEdit->text()); if (title.isEmpty()) title = generateJobTitle(); auto calculate( static_cast(ui.calculateCombo->currentIndex())); auto theory(static_cast(ui.theoryCombo->currentIndex())); auto basis(static_cast(ui.basisCombo->currentIndex())); auto state(static_cast(ui.stateCombo->currentIndex())); auto multiplicity( static_cast(ui.multiplicityCombo->currentIndex())); auto charge(static_cast(ui.chargeCombo->currentIndex())); // Disable basis selection for semiempirical methods. ui.basisCombo->setEnabled(theory != TheoryAM1 && theory != TheoryPM3); // Generate text. // Variables: QString runTyp; QString scfTyp; QString gBasis; QString mult; QString iCharg; // Extra options for lines QString extraBasis; QString extraContrl; // Optional lines QString statPt; QString force; QString pcm; switch (calculate) { case CalculateSinglePoint: runTyp = "ENERGY"; break; case CalculateEquilibriumGeometry: runTyp = "OPTIMIZE"; statPt = " $STATPT OPTTOL=0.0001 NSTEP=20 $END\n"; break; case CalculateTransitionState: runTyp = "SADPOINT"; statPt = " $STATPT OPTTOL=0.0001 NSTEP=20 $END\n"; break; case CalculateFrequencies: runTyp = "HESSIAN"; force = " $FORCE METHOD=ANALYTIC VIBANL=.TRUE. $END\n"; break; default: break; } switch (theory) { case TheoryAM1: gBasis = "AM1"; break; case TheoryPM3: gBasis = "PM3"; break; case TheoryRHF: break; case TheoryB3LYP: extraContrl += " DFTTYP=B3LYP"; break; case TheoryMP2: extraContrl += " MPLEVL=2"; break; case TheoryCCSDT: extraContrl += " CCTYP=CCSD(T)"; break; default: break; } if (theory != TheoryAM1 && theory != TheoryPM3) { switch (basis) { case BasisSTO3G: gBasis = "STO"; extraBasis += " NGAUSS=3"; break; case BasisMINI: gBasis = "MINI"; break; case Basis321G: gBasis = "N21"; extraBasis += " NGAUSS=3"; break; case Basis631Gd: gBasis = "N31"; extraBasis += " NGAUSS=6 NDFUNC=1"; break; case Basis631Gdp: gBasis = "N31"; extraBasis += " NGAUSS=6 NDFUNC=1 NPFUNC=1"; break; case Basis631PlusGdp: gBasis = "N31"; extraBasis += " NGAUSS=6 NDFUNC=1 NPFUNC=1 DIFFSP=.TRUE."; break; case Basis631PlusG2dp: gBasis = "N31"; extraBasis += " NGAUSS=6 NDFUNC=2 NPFUNC=1 DIFFSP=.TRUE."; break; case Basis6311PlusPlusG2dp: gBasis = "N311"; extraBasis += " NGAUSS=6 NDFUNC=2 NPFUNC=1 DIFFSP=.TRUE. DIFFS=.TRUE."; break; case BasisCorePotential: gBasis = "SBK"; extraBasis += " NGAUSS=3 NDFUNC=1"; extraContrl += " ECP=SBK"; break; default: break; } } switch (state) { case StateGas: break; case StateWater: pcm = " $PCM SOLVNT=WATER $END\n"; break; default: break; } switch (multiplicity) { case MultiplicitySinglet: scfTyp = "RHF"; mult = "1"; break; case MultiplicityDoublet: scfTyp = "ROHF"; mult = "2"; break; case MultiplicityTriplet: scfTyp = "ROHF"; mult = "3"; break; default: break; } switch (charge) { case ChargeDication: iCharg = "2"; break; case ChargeCation: iCharg = "1"; break; case ChargeNeutral: iCharg = "0"; break; case ChargeAnion: iCharg = "-1"; break; case ChargeDianion: iCharg = "-2"; break; default: break; } // build up the input file: QString file; file += QString("! %1\n").arg(title); file += QString(" $BASIS GBASIS=%1%2 $END\n").arg(gBasis, extraBasis); file += pcm; file += QString(" $CONTRL SCFTYP=%1 RUNTYP=%2 ICHARG=%3 MULT=%4%5 $END\n") .arg(scfTyp, runTyp, iCharg, mult, extraContrl); file += statPt; file += force; file += "\n"; file += " $DATA\n"; file += "Title\n"; file += "C1\n"; if (m_molecule) { for (size_t i = 0; i < m_molecule->atomCount(); ++i) { Core::Atom atom = m_molecule->atom(i); file += QString("%1 %2 %3 %4 %5\n") .arg(Core::Elements::symbol(atom.atomicNumber()), -3) .arg(static_cast(atom.atomicNumber()), 5, 'f', 1) .arg(atom.position3d().x(), 9, 'f', 5) .arg(atom.position3d().y(), 9, 'f', 5) .arg(atom.position3d().z(), 9, 'f', 5); } } file += " $END\n"; ui.previewText->setText(file); ui.previewText->document()->setModified(false); updateOptionCache(); } void GamessInputDialog::resetClicked() { setBasicDefaults(); updatePreviewText(); } void GamessInputDialog::defaultsClicked() { setBasicDefaults(); updatePreviewText(); } void GamessInputDialog::generateClicked() { QSettings settings; QString fileName = (ui.baseNameEdit->text().isEmpty() ? ui.baseNameEdit->placeholderText() : ui.baseNameEdit->text()) + ".inp"; QString targetFile = settings.value("gamessInput/outputDirectory", QDir::homePath()).toString(); targetFile = QDir(QFileInfo(targetFile).absoluteDir()).absoluteFilePath(fileName); fileName = QFileDialog::getSaveFileName(this, tr("Save GAMESS input file"), targetFile); // User cancel: if (fileName.isNull()) return; settings.setValue("gamessInput/outputDirectory", fileName); QFile file(fileName); bool success = false; if (file.open(QFile::WriteOnly | QFile::Text)) { if (file.write(ui.previewText->toPlainText().toLocal8Bit()) > 0) { success = true; } file.close(); } if (!success) { QMessageBox::critical(this, tr("Output Error"), tr("Failed to write to file %1.").arg(fileName)); } } void GamessInputDialog::computeClicked() { // Verify that molequeue is running: MoleQueueManager& mqManager = MoleQueueManager::instance(); if (!mqManager.connectIfNeeded()) { QMessageBox::information(this, tr("Cannot connect to MoleQueue"), tr("Cannot connect to MoleQueue server. Please " "ensure that it is running and try again.")); return; } QString description(ui.titleEdit->text()); if (description.isEmpty()) description = generateJobTitle(); QString fileNameBase = ui.baseNameEdit->text().isEmpty() ? ui.baseNameEdit->placeholderText() : ui.baseNameEdit->text(); JobObject job; job.setProgram("GAMESS"); job.setDescription(description); job.setInputFile(QString("%1.inp").arg(fileNameBase), ui.previewText->toPlainText()); MoleQueueDialog::SubmitStatus submitStatus = MoleQueueDialog::submitJob(this, tr("Submit GAMESS Calculation"), job, MoleQueueDialog::WaitForSubmissionResponse | MoleQueueDialog::SelectProgramFromTemplate); switch (submitStatus) { default: case MoleQueueDialog::SubmissionSuccessful: case MoleQueueDialog::SubmissionFailed: case MoleQueueDialog::SubmissionAttempted: case MoleQueueDialog::SubmissionAborted: // The dialog handles these cases adequately, we don't need to do // anything. break; case MoleQueueDialog::JobFailed: // Inform the user: QMessageBox::information(this, tr("Job Failed"), tr("The job did not complete successfully."), QMessageBox::Ok); break; case MoleQueueDialog::JobFinished: // Let the world know that the job is ready to open. job has been // overwritten with the final job details. emit openJobOutput(job); hide(); break; } } void GamessInputDialog::updateTitlePlaceholder() { ui.titleEdit->setPlaceholderText(generateJobTitle()); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/gamessinput/gamessinputdialog.h000066400000000000000000000036501474375334400264260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef GAMESSINPUTDIALOG_H #define GAMESSINPUTDIALOG_H #include #include #include #include "ui_gamessinputdialog.h" #include class QJsonObject; namespace Avogadro { namespace MoleQueue { class JobObject; } namespace QtGui { class Molecule; } namespace QtPlugins { class GamessHighlighter; class GamessInputDialog : public QDialog { Q_OBJECT public: explicit GamessInputDialog(QWidget* parent_ = nullptr, Qt::WindowFlags f = {}); ~GamessInputDialog() override; void setMolecule(QtGui::Molecule* mol); signals: /** * Emitted when the user requests that a job's output be loaded in Avogadro. */ void openJobOutput(const Avogadro::MoleQueue::JobObject& job); protected: void showEvent(QShowEvent* e) override; private slots: void updatePreviewText(); void defaultsClicked(); void resetClicked(); void generateClicked(); void computeClicked(); void updateTitlePlaceholder(); private: void connectBasic(); void connectPreview(); void connectButtons(); void buildOptions(); void updateOptionCache(); void restoreOptionCache(); void buildCalculateOptions(); void buildTheoryOptions(); void buildBasisOptions(); void buildStateOptions(); void buildMultiplicityOptions(); void buildChargeOptions(); void setBasicDefaults(); QString generateJobTitle() const; Ui::GamessInputDialog ui; QtGui::Molecule* m_molecule; GamessHighlighter* m_highlighter; bool m_updatePending; QMap m_optionCache; }; } // end namespace QtPlugins } // end namespace Avogadro #endif // GAMESSINPUTDIALOG_H avogadrolibs-1.100.0/avogadro/qtplugins/gamessinput/gamessinputdialog.ui000066400000000000000000000220201474375334400266040ustar00rootroot00000000000000 GamessInputDialog 0 0 785 660 GAMESS Input 0 1 0 &Basic Setup Qt::Horizontal 40 20 In: Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter stateCombo Multiplicity: Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter multiplicityCombo With: Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter theoryCombo Title: titleEdit Qt::Horizontal 40 20 Qt::Horizontal 40 20 Qt::Horizontal 16 20 Charge: chargeCombo Qt::Horizontal 40 20 Calculate: Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter calculateCombo Qt::Vertical 20 0 Filename Base: job Reset All Defaults Qt::Horizontal QSizePolicy::MinimumExpanding 10 20 Submit Calculation… Save File… Close modeTab titleEdit calculateCombo theoryCombo basisCombo stateCombo multiplicityCombo chargeCombo previewText resetAllButton defaultsButton generateButton closeButton avogadrolibs-1.100.0/avogadro/qtplugins/hydrogens/000077500000000000000000000000001474375334400221755ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/hydrogens/CMakeLists.txt000066400000000000000000000002301474375334400247300ustar00rootroot00000000000000avogadro_plugin(Hydrogens "Extension that adds/removes hydrogens on a molecule." ExtensionPlugin hydrogens.h Hydrogens "hydrogens.cpp" "" ) avogadrolibs-1.100.0/avogadro/qtplugins/hydrogens/hydrogens.cpp000066400000000000000000000064121474375334400247060ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "hydrogens.h" #include #include #include #include #include namespace Avogadro::QtPlugins { Hydrogens::Hydrogens(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_molecule(nullptr) { auto* action = new QAction(tr("&Adjust Hydrogens"), this); action->setShortcut(QKeySequence("Ctrl+Alt+H")); action->setProperty("menu priority", 760); connect(action, SIGNAL(triggered()), SLOT(adjustHydrogens())); m_actions.append(action); action = new QAction(tr("Add Hydrogens"), this); action->setProperty("menu priority", 750); connect(action, SIGNAL(triggered()), SLOT(addHydrogens())); m_actions.append(action); action = new QAction(tr("Remove E&xtra Hydrogens"), this); action->setProperty("menu priority", 740); connect(action, SIGNAL(triggered()), SLOT(removeHydrogens())); m_actions.append(action); action = new QAction(tr("&Remove All Hydrogens"), this); action->setProperty("menu priority", 730); connect(action, SIGNAL(triggered()), SLOT(removeAllHydrogens())); m_actions.append(action); } Hydrogens::~Hydrogens() { } QString Hydrogens::description() const { return tr("Add/remove hydrogens from the current molecule."); } QList Hydrogens::actions() const { return m_actions; } QStringList Hydrogens::menuPath(QAction*) const { return QStringList() << tr("&Build") << tr("&Hydrogens"); } void Hydrogens::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void Hydrogens::adjustHydrogens() { if (m_molecule) { QtGui::HydrogenTools::adjustHydrogens(*(m_molecule->undoMolecule()), QtGui::HydrogenTools::AddAndRemove); // Assume molecule changes... m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Bonds | QtGui::Molecule::Added | QtGui::Molecule::Removed); } } void Hydrogens::addHydrogens() { if (m_molecule) { QtGui::HydrogenTools::adjustHydrogens(*(m_molecule->undoMolecule()), QtGui::HydrogenTools::Add); // Assume molecule changes... m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Bonds | QtGui::Molecule::Added); } } void Hydrogens::removeHydrogens() { if (m_molecule) { QtGui::HydrogenTools::adjustHydrogens(*(m_molecule->undoMolecule()), QtGui::HydrogenTools::Remove); // Assume molecule changes... m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Bonds | QtGui::Molecule::Removed); } } void Hydrogens::removeAllHydrogens() { if (m_molecule) { QtGui::HydrogenTools::removeAllHydrogens(*(m_molecule->undoMolecule())); // Assume molecule changes... m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Bonds | QtGui::Molecule::Removed); } } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/hydrogens/hydrogens.h000066400000000000000000000023241474375334400243510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the MoleQueue project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_HYDROGENS_H #define AVOGADRO_QTPLUGINS_HYDROGENS_H #include namespace Avogadro { namespace QtPlugins { /** * @brief The Hydrogens class is an extension to modify hydrogens. */ class Hydrogens : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit Hydrogens(QObject* parent_ = nullptr); ~Hydrogens() override; QString name() const override { return tr("Hydrogens"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; private slots: void adjustHydrogens(); void addHydrogens(); void removeHydrogens(); void removeAllHydrogens(); private: QList m_actions; QtGui::Molecule* m_molecule; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_HYDROGENS_H avogadrolibs-1.100.0/avogadro/qtplugins/importpqr/000077500000000000000000000000001474375334400222305ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/importpqr/CMakeLists.txt000066400000000000000000000007221474375334400247710ustar00rootroot00000000000000# Extension set(importpqr_srcs importpqr.cpp pqrwidget.cpp pqrrequest.cpp ) avogadro_plugin(ImportPQR "Download molecules from the Pitt Quantum Repository" ExtensionPlugin importpqr.h ImportPQR "${importpqr_srcs}" pqrwidget.ui "" ) target_link_libraries(ImportPQR PRIVATE Qt::Network nlohmann_json::nlohmann_json) if(WIN32) # for https support target_link_libraries(ImportPQR PRIVATE OpenSSL::SSL OpenSSL::Crypto OpenSSL::applink) endif() avogadrolibs-1.100.0/avogadro/qtplugins/importpqr/importpqr.cpp000066400000000000000000000044521474375334400247760ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "importpqr.h" #include "pqrwidget.h" #include #include #include #include #include namespace Avogadro::QtPlugins { ImportPQR::ImportPQR(QObject* parent_) : ExtensionPlugin(parent_), m_action(new QAction(this)), m_molecule(nullptr), m_dialog(nullptr), m_outputFormat(nullptr), m_manager(new QNetworkAccessManager(this)) { m_action->setEnabled(false); m_action->setText(tr("&Search PQR…")); connect(m_action, SIGNAL(triggered()), SLOT(menuActivated())); // check if PQR is up connect(m_manager, SIGNAL(finished(QNetworkReply*)), SLOT(checkAccess(QNetworkReply*))); m_manager->get(QNetworkRequest(QUrl("https://pqr.pitt.edu"))); } ImportPQR::~ImportPQR() { delete m_outputFormat; m_manager->deleteLater(); } void ImportPQR::checkAccess(QNetworkReply* reply) { // only enable if we can access the site if (reply->error() == QNetworkReply::NoError) { m_action->setEnabled(true); } reply->deleteLater(); } QList ImportPQR::actions() const { QList actions_; actions_.append(m_action); return actions_; } QStringList ImportPQR::menuPath(QAction*) const { QStringList path; path << tr("&File") << tr("&Import"); return path; } void ImportPQR::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } bool ImportPQR::readMolecule(QtGui::Molecule& mol) { bool readOK = Io::FileFormatManager::instance().readString( mol, m_moleculeData.data(), "mol2"); if (readOK) // worked, so set the filename mol.setData("name", m_moleculeName.toStdString()); return readOK; } void ImportPQR::menuActivated() { if (!m_dialog) m_dialog = new PQRWidget(qobject_cast(this), this); m_dialog->show(); } // called by widget void ImportPQR::setMoleculeData(QByteArray& molData, QString name) { m_moleculeName = name; m_moleculeData = molData; m_dialog->hide(); emit moleculeReady(1); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/importpqr/importpqr.h000066400000000000000000000032421474375334400244370ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_IMPORTPQR_H #define AVOGADRO_QTPLUGINS_IMPORTPQR_H #include #include #include #include #include #include class QAction; class QDialog; namespace Avogadro { namespace QtPlugins { class PQRWidget; class ImportPQR : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit ImportPQR(QObject* parent = nullptr); ~ImportPQR() override; QString name() const override { return tr("Import From PQR"); } QString description() const override { return tr("Download a molecule from PQR."); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMoleculeData(QByteArray& molData, QString name); public slots: void setMolecule(QtGui::Molecule* mol) override; bool readMolecule(QtGui::Molecule& mol) override; private slots: void menuActivated(); void checkAccess(QNetworkReply* reply); private: QAction* m_action; QtGui::Molecule* m_molecule; PQRWidget* m_dialog; const Io::FileFormat* m_outputFormat; QString m_moleculeName; QString m_moleculePath; QByteArray m_moleculeData; QNetworkAccessManager* m_manager; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_IMPORTPQR_H avogadrolibs-1.100.0/avogadro/qtplugins/importpqr/pqrrequest.cpp000066400000000000000000000165001474375334400251510ustar00rootroot00000000000000#include "pqrrequest.h" #include "pqrwidget.h" #include #include using json = nlohmann::json; namespace Avogadro::QtPlugins { /** * @brief Constructor to initialize the NetworkAccessManager and set pointers to * the widget's ui elements. */ PQRRequest::PQRRequest(QTableWidget* tw, QLabel* gv, QLineEdit* nd, QLabel* fd, PQRWidget* w) { // set pointers to ui elements now instead of in individual functions table = tw; // pointer to ui table pngPreview = gv; // png QLabel nameDisplay = nd; // name formulaDisplay = fd; // formula // used to load molecule in Avogadro when downloaded widget = w; oNetworkAccessManager = new QNetworkAccessManager(this); } /** * @brief Free the ui pointers */ PQRRequest::~PQRRequest() { delete oNetworkAccessManager; } /** * @brief Sends a network request to search for molecules from PQR; * @param url The url to query */ void PQRRequest::sendRequest(QString url) { reply = oNetworkAccessManager->get(QNetworkRequest(QUrl(url))); connect(reply, SIGNAL(finished()), this, SLOT(parseJson())); } /** * @brief Sends a network request to download a file from PQR * @param url The url to send the request to * @param mol2 The mol2 representation of the molecule to download */ void PQRRequest::sendRequest(QString url, QString) { reply = oNetworkAccessManager->get(QNetworkRequest(QUrl(url))); currentMolName = nameDisplay->text(); // needed to load mol into Avogadro connect(reply, SIGNAL(finished()), this, SLOT(getFile())); } /** * @brief Sends a network request to download a png form PQR * @param url The url to send the request to */ void PQRRequest::sendPNGRequest(QString url) { reply = oNetworkAccessManager->get(QNetworkRequest(QUrl(url))); connect(reply, SIGNAL(finished()), this, SLOT(SetPNG())); } /** * @brief Called when a molecule is selected to display information about the * molecule and start grabbing the SVG preview. * @param num The row number of the table result selected * @returns The mol2 of the result for the widget to reference */ QString PQRRequest::molSelected(int num) { if (results.empty() || num > static_cast(results.size())) return QString("N/A"); QString mol2 = results[num].mol2url; QString url = "https://pqr.pitt.edu/static/data/png/" + mol2 + ".png"; sendPNGRequest(url); formulaDisplay->setText(parseSubscripts(results[num].formula)); nameDisplay->setText(results[num].name); return mol2; } /** * @brief Parses the JSON response from querying PQR */ void PQRRequest::parseJson() { if (reply->error() == QNetworkReply::NoError) { // Reading the data from the response QByteArray bytes = reply->readAll(); // parse the json json root = json::parse(bytes.data()); int resultSize = root.size(); results.clear(); if (resultSize == 0) { table->setRowCount(1); table->setItem(0, 0, new QTableWidgetItem("No Results!")); table->setCellWidget(0, 1, new QLabel()); table->setItem(0, 2, new QTableWidgetItem("N/A")); } else { table->setRowCount(resultSize); for (int i = 0; i < resultSize; i++) { results.emplace_back(); // Loop through the keys for (auto it = root[i].cbegin(); it != root[i].cend(); ++it) { if (it.key() == "formula" && it.value().is_string()) results[i].formula = it.value().get().c_str(); else if (it.key() == "inchikey" && it.value().is_string()) results[i].inchikey = it.value().get().c_str(); else if (it.key() == "mol2url" && it.value().is_string()) results[i].mol2url = it.value().get().c_str(); else if (it.key() == "name" && it.value().is_string()) results[i].name = it.value().get().c_str(); } results[i].mass = getMolMass(results[i].formula); table->setItem(i, 0, new QTableWidgetItem(results[i].name)); // clear possible QTableWidget if there were no results previously table->setItem(i, 1, nullptr); // use this to display subscripts, should automatically delete previous // QLabel according to documentation table->setCellWidget(i, 1, new QLabel(parseSubscripts(results[i].formula))); // table->setItem(i, 2, new // QTableWidgetItem(QString::number(results[i].mass, 'f', 3) + QString(" // g/mol"))); auto* massItem = new QTableWidgetItem(); massItem->setData(Qt::DisplayRole, results[i].mass); table->setItem(i, 2, massItem); } } } else { table->setRowCount(3); table->setItem(0, 0, new QTableWidgetItem("Network Error!")); table->setItem(0, 1, new QTableWidgetItem("N/A")); table->setItem(0, 2, new QTableWidgetItem(reply->errorString())); } reply->deleteLater(); } /** * @brief Creates a file after requesting a file from PQR */ void PQRRequest::getFile() { QByteArray molData = reply->readAll(); widget->loadMolecule(molData, currentMolName); reply->deleteLater(); } /** * @brief Loads PNG data after sending a request */ void PQRRequest::SetPNG() { QByteArray pngData = reply->readAll(); widget->loadPNG(pngData); reply->deleteLater(); } /** * @brief Takes a formula string and returns a QString with subscript tags * @param formula The formula string */ QString PQRRequest::parseSubscripts(QString formula) { std::string str = formula.toStdString(); QString toReturn; for (char i : str) { if (isdigit(i)) { toReturn.append(""); toReturn.append(i); toReturn.append(""); } else { toReturn.append(i); } } return toReturn; } /** * @brief Takes a formula string and returns the molecular mass of the molecule * @param formula The formula string */ float PQRRequest::getMolMass(QString formula) { std::string str = formula.toStdString(); float totalMass = 0.0; int subscript = 1; std::string element; unsigned char atomicNum; for (size_t i = 0; i < str.length(); i++) { // each element will start with a capital letter if (isupper(str[i])) { // if next letter is a lower case then we know the whole element if (islower(str[i + 1])) { element = { str[i], str[i + 1] }; // this might be the last element of the formula if (isdigit(str[i + 2])) { subscript = (int)str[i + 2] - '0'; i += 2; // increment past lowercase and numeral } else { i += 1; subscript = 1; } } // get the subscript else if (isdigit(str[i + 1])) { if (isdigit(str[i + 2])) { // might be 2 digit subscript subscript = (int)str[i + 1] - '0'; subscript *= 10; // shift forward one decimal place subscript += (int)str[i + 2] - '0'; element = { str[i] }; i += 2; } else { subscript = (int)str[i + 1] - '0'; element = { str[i] }; i += 1; } } // if the next letter is another uppercase or null, the current subscript // is 1 else if (isupper(str[i + 1]) || str[i + 1] == 0) { subscript = 1; element = { str[i] }; } atomicNum = Core::Elements::atomicNumberFromSymbol(element); totalMass += (subscript * Core::Elements::mass(atomicNum)); } } return totalMass; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/importpqr/pqrrequest.h000066400000000000000000000071151474375334400246200ustar00rootroot00000000000000#ifndef PQRREQUEST_H #define PQRREQUEST_H #include #include #include #include #include #include #include #include #include #include #include #include #include #include /** * @brief The PQRRequest class sends and receives network requests to PQR and * updates ui elements from the widget. */ namespace Avogadro { namespace QtPlugins { class PQRWidget; class PQRRequest : public QObject { Q_OBJECT public: /** * @brief Constructor to initialize the NetworkAccessManager and set pointers to * the widget's ui elements. * @param tw Pointer to ui's table widget * @param gv Pointer to ui's graphics view for SVG preview * @param nd Pointer to the name display * @param fd Pointer to the formula display */ PQRRequest(QTableWidget*, QLabel*, QLineEdit*, QLabel*, PQRWidget*); /** * @brief Free the ui pointers */ ~PQRRequest() override; /** * @brief Sends a network request to search for molecules from PQR; * @param url The url to query */ void sendRequest(QString); /** * @brief Sends a network request to download a file from PQR * @param url The url to send the request to * @param mol2 The mol2 representation of the molecule to download */ void sendRequest(QString, QString); /** * @brief Sends a network request to download a png form PQR * @param url The url to send the request to */ void sendPNGRequest(QString url); /** * @brief Called when a molecule is selected to display information about the * molecule and start grabbing the SVG preview. * @param num The row number of the table result selected * @returns The mol2 of the result for the widget to reference */ QString molSelected(int); private slots: /** * @brief Parses the JSON response from querying PQR */ void parseJson(); /** * @brief Creates a file after requesting a file from PQR */ void getFile(); /** * @brief Loads PNG data after sending a request */ void SetPNG(); private: /** * @brief The result struct holds all data received in each result from * querying PQR */ struct result { QString inchikey; QString name; QString mol2url; QString formula; float mass; // Default constructor result() : inchikey("Error"), name("Error"), mol2url("Error"), formula("Error"), mass(-1.0) {} }; /** An array to hold all results from a query */ std::vector results; /** Holds a reply from a network request */ QNetworkReply* reply; /** Used to send/receive network request */ QNetworkAccessManager* oNetworkAccessManager; /** Used to parse JSON results */ QVariantMap m_jsonResult; /** Pointer to dialog */ PQRWidget* widget; /** Pointers to a widget's ui elements */ QTableWidget* table; QLineEdit* nameDisplay; QLabel* formulaDisplay; QLabel* pngPreview; /** Variables to fold file download information for getFile() */ QString currentMolName; /** * @brief Takes a formula string and returns a QString with subscript tags * @param formula The formula string */ QString parseSubscripts(QString); /** * @brief Takes a formula string and returns the molecular mass of the * molecule * @param formula The formula string */ float getMolMass(QString); }; } // namespace QtPlugins } // namespace Avogadro #endif // PQRRequest_H avogadrolibs-1.100.0/avogadro/qtplugins/importpqr/pqrwidget.cpp000066400000000000000000000053501474375334400247450ustar00rootroot00000000000000#include "pqrwidget.h" #include "importpqr.h" #include "pqrrequest.h" #include "ui_pqrwidget.h" namespace Avogadro::QtPlugins { PQRWidget::PQRWidget(QWidget* parent, ImportPQR* p) : QDialog(parent), ui(new Ui::PQRWidget) { plugin = p; ui->setupUi(this); ui->tableWidget->setColumnCount(3); ui->tableWidget->setHorizontalHeaderLabels(QStringList() << "Name" << "Formula" << "Mass (g/mol)"); ui->tableWidget->horizontalHeader()->setStretchLastSection(true); ui->tableWidget->setEditTriggers(QAbstractItemView::NoEditTriggers); ui->tableWidget->setSelectionBehavior(QAbstractItemView::SelectRows); ui->tableWidget->setSortingEnabled(true); connect(ui->searchButton, SIGNAL(clicked(bool)), this, SLOT(searchAction())); connect(ui->downloadButton, SIGNAL(clicked(bool)), this, SLOT(downloadMol())); connect(ui->tableWidget, SIGNAL(cellClicked(int, int)), this, SLOT(molSelected(int, int))); request = new PQRRequest(ui->tableWidget, ui->pngPreview, ui->nameDisplay, ui->formulaDisplay, this); } PQRWidget::~PQRWidget() { delete request; delete ui; } /** * @brief Called when the search button is clicked to send a query to PQR */ void PQRWidget::searchAction() { ui->downloadButton->setEnabled(false); QString url = "https://pqr.pitt.edu/api/browse/" + ui->molName->text() + "/" + ui->searchTypeBox->currentText(); request->sendRequest(url); } /** * @brief Called when a table result is double clicked to display preview * information * about the result before downloading. * @param row The row of the result selected. * @param col The column of the result selected. */ void PQRWidget::molSelected(int row, int) { currentlySelectedMol = request->molSelected(row); if (currentlySelectedMol == "N/A") return; ui->downloadButton->setEnabled(true); } /** * @brief Called when PNG data is ready to be loaded */ void PQRWidget::loadPNG(QByteArray& pngData) { QPixmap pixmap; pixmap.loadFromData(pngData, "PNG"); pixmap = pixmap.scaled(300, 300); ui->pngPreview->setPixmap(pixmap); ui->pngPreview->show(); } /** * @brief Called when the download button is clicked to send a request to * download * molecule information from PQR. */ void PQRWidget::downloadMol() { QString mol2url = currentlySelectedMol; if (mol2url != "N/A" && mol2url != "") { mol2url.remove(0, 3); // remove first 3 characters to map to PQR's url QString url = "https://pqr.pitt.edu/api/mol/" + mol2url; request->sendRequest(url, mol2url); } } void PQRWidget::loadMolecule(QByteArray& molData, QString name) { plugin->setMoleculeData(molData, name); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/importpqr/pqrwidget.h000066400000000000000000000034461474375334400244160ustar00rootroot00000000000000#ifndef AVOGADRO_PQRWIDGET_H #define AVOGADRO_PQRWIDGET_H #include #include #include #include #include #include #include #include #include #include #include /** * PQRWidget is a class extending QDialog to provide the ui for * importing/downloading * molecules from PQR. */ namespace Ui { class PQRWidget; } namespace Avogadro { namespace QtGui { class Molecule; } namespace QtPlugins { class PQRRequest; class ImportPQR; class PQRWidget : public QDialog { Q_OBJECT public: PQRWidget(QWidget* parent = nullptr, ImportPQR* p = nullptr); ~PQRWidget() override; void loadMolecule(QByteArray&, QString); void loadPNG(QByteArray&); private slots: /** * @brief Called when the search button is clicked to send a query to PQR */ void searchAction(); /** * @brief Called when a table result is double clicked to display preview * information * about the result before downloading. * @param row The row of the result selected. * @param col The column of the result selected. */ void molSelected(int, int); /** * @brief Called when the download button is clicked to send a request to * download * molecule information from PQR. */ void downloadMol(); private: /** The mol2 of the molecule result currently selected */ QString currentlySelectedMol; /** Pointer to the ui objects */ Ui::PQRWidget* ui; /** Pointer to a PQRRequest object to handle network requests */ PQRRequest* request; /** Pointer to the plugin that opened the dialog */ ImportPQR* plugin; }; } } #endif // AVOGADRO_PQRWIDGET_H avogadrolibs-1.100.0/avogadro/qtplugins/importpqr/pqrwidget.ui000066400000000000000000000111411474375334400245730ustar00rootroot00000000000000 PQRWidget 0 0 1087 674 0 0 Import From PQR… 0 0 Search 0 0 name tag synonym formula inchi 0 0 Search By: true Formula: 5 0 750 500 false Download Name: 0 0 300 300 300 300 avogadrolibs-1.100.0/avogadro/qtplugins/insertdna/000077500000000000000000000000001474375334400221625ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/insertdna/CMakeLists.txt000066400000000000000000000003341474375334400247220ustar00rootroot00000000000000avogadro_plugin(NucleicInput "Insert DNA/RNA sequences." ExtensionPlugin insertdna.h InsertDna "insertdna.cpp" "insertdnadialog.ui" ) target_link_libraries(NucleicInput PRIVATE nlohmann_json::nlohmann_json) avogadrolibs-1.100.0/avogadro/qtplugins/insertdna/insertdna.cpp000066400000000000000000000136251474375334400246640ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "insertdna.h" #include "ui_insertdnadialog.h" #include #include #include #include #include #include #include #include #include #include using json = nlohmann::json; using Avogadro::Io::FileFormat; using Avogadro::QtGui::FileFormatDialog; namespace Avogadro::QtPlugins { class InsertDNADialog : public QDialog, public Ui::InsertDNADialog { public: InsertDNADialog(QWidget* parent = nullptr) : QDialog(parent) { setWindowFlags(Qt::Dialog | Qt::Tool); setupUi(this); } }; InsertDna::InsertDna(QObject* p) : Avogadro::QtGui::ExtensionPlugin(p), m_molecule(nullptr), m_reader(nullptr), m_dialog(nullptr) { auto* action = new QAction(tr("DNA/RNA…"), this); action->setProperty("menu priority", 870); connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.append(action); } InsertDna::~InsertDna() { delete m_reader; } QList InsertDna::actions() const { return m_actions; } QStringList InsertDna::menuPath(QAction*) const { return QStringList() << tr("&Build") << tr("&Insert"); } void InsertDna::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void InsertDna::showDialog() { if (m_molecule == nullptr) return; // check to see if FASTA format is available from Open Babel QWidget* parentAsWidget = qobject_cast(parent()); const FileFormat::Operations ops = FileFormat::Read | FileFormat::String; const FileFormat* fmt = FileFormatDialog::findFileFormat( parentAsWidget, tr("Insert DNA/RNA…"), QString("file.fasta"), ops); if (fmt == nullptr) { return; } else { m_reader = fmt->newInstance(); } // Prompt user for input: if (m_dialog == nullptr) { constructDialog(); } m_dialog->show(); } void InsertDna::constructDialog() { if (m_dialog == nullptr) { m_dialog = new InsertDNADialog(qobject_cast(parent())); auto* numStrands = new QButtonGroup(m_dialog); numStrands->addButton(m_dialog->singleStrandRadio, 0); numStrands->addButton(m_dialog->doubleStrandRadio, 1); numStrands->setExclusive(true); connect(m_dialog->insertButton, SIGNAL(clicked()), this, SLOT(performInsert())); connect(m_dialog->bpCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(updateBPTurns(int))); connect(m_dialog->typeComboBox, SIGNAL(currentIndexChanged(int)), this, SLOT(changeNucleicType(int))); // Set the nucleic buttons to update the sequence foreach (const QToolButton* child, m_dialog->findChildren()) { connect(child, SIGNAL(clicked()), this, SLOT(updateText())); } connect(m_dialog, SIGNAL(destroyed()), this, SLOT(dialogDestroyed())); } m_dialog->sequenceText->setPlainText(QString()); } void InsertDna::updateText() { auto* button = qobject_cast(sender()); if (button) { QString sequenceText = m_dialog->sequenceText->toPlainText(); sequenceText += button->text(); m_dialog->sequenceText->setPlainText(sequenceText); } } void InsertDna::updateBPTurns(int type) { switch (type) { case 0: // A-DNA m_dialog->bpTurnsSpin->setValue(11.0); break; case 1: // B-DNA m_dialog->bpTurnsSpin->setValue(10.5); break; case 2: // Z-DNA m_dialog->bpTurnsSpin->setValue(12.0); break; default: // anything the user wants break; } } void InsertDna::changeNucleicType(int type) { if (type == 1) { // RNA m_dialog->bpCombo->setCurrentIndex(3); // other m_dialog->bpTurnsSpin->setValue(11.0); // standard RNA m_dialog->singleStrandRadio->setChecked(true); m_dialog->singleStrandRadio->setEnabled(false); m_dialog->doubleStrandRadio->setEnabled(false); m_dialog->toolButton_TU->setText(tr("U", "uracil")); m_dialog->toolButton_TU->setToolTip(tr("Uracil")); return; } // DNA m_dialog->singleStrandRadio->setEnabled(true); m_dialog->doubleStrandRadio->setEnabled(true); m_dialog->toolButton_TU->setText(tr("T", "thymine")); m_dialog->toolButton_TU->setToolTip(tr("Thymine")); } void InsertDna::performInsert() { if (m_dialog == nullptr || m_molecule == nullptr || m_reader == nullptr) return; QString sequence = m_dialog->sequenceText->toPlainText().toLower(); bool dna = (m_dialog->typeComboBox->currentIndex() == 0); if (sequence.isEmpty()) return; // also nothing to do // Add DNA/RNA tag for FASTA sequence = '>' + m_dialog->typeComboBox->currentText() + '\n' + sequence; // options // if DNA, check if the user wants single-strands json options; json arguments; // if it's DNA, allow single-stranded if (dna && m_dialog->singleStrandRadio->isChecked()) arguments.push_back("-a1"); // Add the number of turns QString turns = QString("-at %1").arg(m_dialog->bpTurnsSpin->value()); arguments.push_back(turns.toStdString()); options["arguments"] = arguments; options["format"] = "pdb"; QProgressDialog progDlg; progDlg.setModal(true); progDlg.setWindowTitle(tr("Insert Molecule…")); progDlg.setLabelText(tr("Generating 3D molecule…")); progDlg.setRange(0, 0); progDlg.setValue(0); progDlg.show(); QtGui::Molecule newMol; m_reader->setOptions(options.dump()); m_reader->readString(sequence.toStdString(), newMol); m_molecule->undoMolecule()->appendMolecule(newMol, "Insert Molecule"); emit requestActiveTool("Manipulator"); } void InsertDna::dialogDestroyed() { m_dialog = nullptr; } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/insertdna/insertdna.h000066400000000000000000000030601474375334400243210ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_INSERTDNA_H #define AVOGADRO_QTPLUGINS_INSERTDNA_H #include #include #include namespace Avogadro { namespace Io { class FileFormat; } namespace QtPlugins { class InsertDNADialog; /** * @brief Load single-line molecule descriptors through an input dialog. */ class InsertDna : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit InsertDna(QObject* parent_ = nullptr); ~InsertDna() override; QString name() const override { return tr("InsertDNA"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule*) override; private slots: void showDialog(); void performInsert(); void updateText(); void updateBPTurns(int type); void changeNucleicType(int type); void dialogDestroyed(); private: QList m_actions; QtGui::Molecule* m_molecule; Io::FileFormat* m_reader; InsertDNADialog *m_dialog; void constructDialog(); }; inline QString InsertDna::description() const { return tr("Insert DNA / RNA fragments through a dialog."); } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_INSERTDNA_H avogadrolibs-1.100.0/avogadro/qtplugins/insertdna/insertdnadialog.ui000066400000000000000000000162761474375334400257040ustar00rootroot00000000000000 InsertDNADialog 0 0 365 384 Insert Nucleic Acids DNA/RNA Builder DNA RNA Nucleic Acids: Adenine A Cytosine C Guanine G Thymine T Qt::Horizontal 40 20 Sequence: Qt::StrongFocus the number of base pairs per helix turn 1 A B Z Other the number of base pairs per helix turn 1 0.000000000000000 15.000000000000000 10.500000000000000 Bases Per Turn: Strands: Single Double true Qt::Horizontal 40 20 Insert true Qt::Horizontal 40 20 Qt::Vertical 20 0 avogadrolibs-1.100.0/avogadro/qtplugins/insertfragment/000077500000000000000000000000001474375334400232235ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/insertfragment/CMakeLists.txt000066400000000000000000000026301474375334400257640ustar00rootroot00000000000000include(ExternalProject) avogadro_plugin(InsertFragment "Insert molecular fragments and crystals." ExtensionPlugin insertfragment.h InsertFragment insertfragment.cpp ) # Install the fragments & crystals # TODO - make this a for loop set(_molecules "${AvogadroLibs_SOURCEDATA_DIR}/molecules") set(_crystals "${AvogadroLibs_SOURCEDATA_DIR}/crystals") # Look in parallel directory for the molecule fragment repository if(NOT EXISTS "${_molecules}") # download molecules... ExternalProject_Add(molecules GIT_REPOSITORY https://github.com/openchemistry/molecules # or https://github.com/OpenChemistry/molecules/archive/refs/heads/master.zip SOURCE_DIR "${AvogadroLibs_SOURCEDATA_DIR}/molecules" CONFIGURE_COMMAND "" BUILD_COMMAND "" INSTALL_COMMAND "" ) endif() install(DIRECTORY "${AvogadroLibs_SOURCEDATA_DIR}/molecules" DESTINATION "${INSTALL_DATA_DIR}/avogadro2" PATTERN ".git" EXCLUDE ) # crystals if(NOT EXISTS "${_crystals}") # download molecules... ExternalProject_Add(crystals GIT_REPOSITORY https://github.com/openchemistry/crystals # or https://github.com/OpenChemistry/crystals/archive/refs/heads/master.zip SOURCE_DIR "${AvogadroLibs_SOURCEDATA_DIR}/crystals" CONFIGURE_COMMAND "" BUILD_COMMAND "" INSTALL_COMMAND "" ) endif() install(DIRECTORY "${AvogadroLibs_SOURCEDATA_DIR}/crystals" DESTINATION "${INSTALL_DATA_DIR}/avogadro2" PATTERN ".git" EXCLUDE ) avogadrolibs-1.100.0/avogadro/qtplugins/insertfragment/insertfragment.cpp000066400000000000000000000075211474375334400267640ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "insertfragment.h" #include #include #include #include #include #include #include #include #include #include using Avogadro::Io::FileFormatManager; using Avogadro::QtGui::InsertFragmentDialog; using Avogadro::QtGui::Molecule; namespace Avogadro::QtPlugins { InsertFragment::InsertFragment(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_crystalDialog(nullptr), m_moleculeDialog(nullptr), m_reader(nullptr), m_molecule(nullptr) { auto* action = new QAction(tr("Molecule…"), this); action->setProperty("menu priority", 890); action->setData("molecules"); // will also work for crystals connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.append(action); action = new QAction(tr("Crystal…"), this); action->setData("crystals"); // will also work for crystals action->setProperty("menu priority", 170); connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.append(action); } InsertFragment::~InsertFragment() { delete m_reader; } QList InsertFragment::actions() const { return m_actions; } QStringList InsertFragment::menuPath(QAction* action) const { if (action->data() == "crystals") return QStringList() << tr("&File") << tr("&Import"); else return QStringList() << tr("&Build") << tr("&Insert"); } void InsertFragment::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void InsertFragment::showDialog() { if (!m_molecule) return; QWidget* parentAsWidget = qobject_cast(parent()); auto* theSender = qobject_cast(sender()); // Prompt user for input: bool crystal = theSender->data().toString() == "crystals"; if (crystal) { // create the dialog if it doesn't exist if (!m_crystalDialog) { m_crystalDialog = new InsertFragmentDialog(parentAsWidget, "crystals"); connect(m_crystalDialog, &InsertFragmentDialog::performInsert, this, &InsertFragment::performInsert); } m_crystalDialog->show(); } else { // fragments - create the dialog if it doesn't exist if (!m_moleculeDialog) { m_moleculeDialog = new InsertFragmentDialog(parentAsWidget, "molecules"); connect(m_moleculeDialog, &InsertFragmentDialog::performInsert, this, &InsertFragment::performInsert); } m_moleculeDialog->show(); } } void InsertFragment::performInsert(const QString& fileName, bool crystal) { if (m_molecule == nullptr) return; // read the file into the new fragment Avogadro::QtGui::Molecule newMol(m_molecule->parent()); bool ok = Io::FileFormatManager::instance().readFile(newMol, fileName.toStdString()); if (!ok) { QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Error reading file (%1).").arg(fileName)); return; } if (crystal) { Molecule::MoleculeChanges changes = (Molecule::Atoms | Molecule::Bonds | Molecule::Added | Molecule::Removed); m_molecule->undoMolecule()->modifyMolecule(newMol, changes, tr("Import Crystal")); emit requestActiveTool("Navigator"); } else { // insert mol into m_molecule m_molecule->undoMolecule()->appendMolecule(newMol, tr("Insert Fragment")); emit requestActiveTool("Manipulator"); } } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/insertfragment/insertfragment.h000066400000000000000000000032131474375334400264230ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_INSERTFRAGMENT_H #define AVOGADRO_QTPLUGINS_INSERTFRAGMENT_H #include #include #include namespace Avogadro { namespace Io { class FileFormat; } namespace QtGui { class InsertFragmentDialog; } namespace QtPlugins { /** * @brief Load molecules through a tree browser. */ class InsertFragment : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit InsertFragment(QObject* parent_ = nullptr); ~InsertFragment() override; QString name() const override { return tr("InsertFragment"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule*) override; private slots: void showDialog(); void performInsert(const QString& fileName, bool crystal); private: QList m_actions; QtGui::InsertFragmentDialog* m_moleculeDialog; QtGui::InsertFragmentDialog* m_crystalDialog; /// Maps identifier to extension: QMap m_formats; QtGui::Molecule* m_molecule; Io::FileFormat* m_reader; }; inline QString InsertFragment::description() const { return tr("Insert molecular fragments for building larger molecules."); } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_INSERTFRAGMENT_H avogadrolibs-1.100.0/avogadro/qtplugins/label/000077500000000000000000000000001474375334400212525ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/label/CMakeLists.txt000066400000000000000000000012321474375334400240100ustar00rootroot00000000000000avogadro_plugin(Label "Labels rendering scheme" ScenePlugin label.h Label label.cpp "") set(label_rcs label.qrc ) set(label_srcs labeleditor.cpp ) avogadro_plugin(LabelEditor "Labels rendering scheme" ToolPlugin labeleditor.h LabelEditor "${label_srcs}" "" "${label_rcs}" ) target_link_libraries(Label LINK_PRIVATE Avogadro::Rendering) target_link_libraries(Label PRIVATE Avogadro::Calc) target_link_libraries(LabelEditor LINK_PRIVATE Avogadro::Rendering Avogadro::QtOpenGL) target_include_directories(LabelEditor PRIVATE ${CMAKE_CURRENT_BINARY_DIR}/../../rendering ${CMAKE_CURRENT_BINARY_DIR}/../../qtopengl) avogadrolibs-1.100.0/avogadro/qtplugins/label/label.cpp000066400000000000000000000414541474375334400230450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "label.h" #include #include #include // for partial charges #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using Avogadro::Rendering::TextLabel3D; using Core::Array; using Core::Atom; using Core::Elements; using Core::Molecule; using QtGui::PluginLayerManager; using Rendering::GeometryNode; using Rendering::GroupNode; using std::map; typedef Array NeighborListType; namespace { TextLabel3D* createLabel(const std::string& text, const Vector3f& pos, float radius, const Vector3ub& color) { Rendering::TextProperties tprop; tprop.setAlign(Rendering::TextProperties::HCenter, Rendering::TextProperties::VCenter); tprop.setFontFamily(Rendering::TextProperties::SansSerif); tprop.setColorRgb(color.data()); auto* label = new TextLabel3D; label->setText(text); label->setRenderPass(Rendering::TranslucentPass); label->setTextProperties(tprop); label->setRadius(radius); label->setAnchor(pos); return label; } } // namespace struct LayerLabel : Core::LayerData { enum LabelOptions { None = 0, Index = 1, Name = 2, Custom = 4, Ordinal = 8, UniqueID = 16, PartialCharge = 32, Length = 64 // for bonds obviously }; unsigned short atomOptions; unsigned short residueOptions; unsigned short bondOptions; QWidget* widget; float radiusScalar; Vector3ub color; LayerLabel() { widget = nullptr; QSettings settings; atomOptions = settings.value("label/atomoptions", LabelOptions::Name).toInt(); residueOptions = settings.value("label/residueoptions", LabelOptions::None).toInt(); bondOptions = settings.value("label/bondoptions", LabelOptions::None).toInt(); radiusScalar = settings.value("label/radiusscalar", 0.5).toDouble(); auto q_color = settings.value("label/color", QColor(Qt::white)).value(); color[0] = static_cast(q_color.red()); color[1] = static_cast(q_color.green()); color[2] = static_cast(q_color.blue()); } LayerLabel(std::string settings) { widget = nullptr; deserialize(settings); } LayerData* clone() final { return new LayerLabel(serialize()); } ~LayerLabel() override { if (widget) widget->deleteLater(); } std::string serialize() final { std::stringstream output; output << atomOptions << " " << residueOptions << " " << radiusScalar << " " << (int)color[0] << " " << (int)color[1] << " " << (int)color[2] << " " << bondOptions; return output.str(); } void deserialize(std::string text) final { std::stringstream ss(text); std::string aux; ss >> aux; atomOptions = std::stoi(aux); ss >> aux; residueOptions = std::stoi(aux); ss >> aux; radiusScalar = std::stof(aux); ss >> aux; color[0] = std::stoi(aux); ss >> aux; color[1] = std::stoi(aux); ss >> aux; color[2] = std::stoi(aux); ss >> aux; if (!aux.empty()) bondOptions = std::stoi(aux); // backwards compatibility } void setupWidget(Label* slot) { if (!widget) { widget = new QWidget(qobject_cast(slot->parent())); auto* v = new QVBoxLayout; auto* form = new QFormLayout; // color button auto* colorButton = new QtGui::ColorButton; QObject::connect(colorButton, SIGNAL(colorChanged(const QColor&)), slot, SLOT(setColor(const QColor&))); form->addRow(QObject::tr("Color:"), colorButton); // radius scalar auto* spin = new QDoubleSpinBox; spin->setRange(0.0, 1.5); spin->setSingleStep(0.1); spin->setDecimals(1); spin->setValue(radiusScalar); QObject::connect(spin, SIGNAL(valueChanged(double)), slot, SLOT(setRadiusScalar(double))); form->addRow(QObject::tr("Distance from center:"), spin); auto* atom = new QComboBox; atom->setObjectName("atom"); // set up the various atom options char val = LabelOptions::None; QStringList text; // first add the individual options atom->addItem(QObject::tr("None"), int(LabelOptions::None)); atom->addItem(QObject::tr("Index"), int(LabelOptions::Index)); atom->addItem(QObject::tr("Unique ID"), int(LabelOptions::UniqueID)); atom->addItem(QObject::tr("Element"), int(LabelOptions::Name)); atom->addItem(QObject::tr("Element & Number"), int(LabelOptions::Ordinal)); atom->addItem(QObject::tr("Element & ID"), int(LabelOptions::Name | LabelOptions::UniqueID)); atom->addItem(QObject::tr("Partial Charge", "atomic partial charge"), int(LabelOptions::PartialCharge)); atom->addItem(QObject::tr("Custom"), int(LabelOptions::Custom)); // check for current option based on item data for (int i = 0; i < atom->count(); ++i) { if (atom->itemData(i).toInt() == atomOptions) { atom->setCurrentIndex(i); break; } } QObject::connect(atom, SIGNAL(currentIndexChanged(int)), slot, SLOT(atomLabelType(int))); form->addRow(QObject::tr("Atom Label:"), atom); // bond label auto* bond = new QComboBox; bond->setObjectName("bond"); // set up the various bond options bond->addItem(QObject::tr("None"), int(LabelOptions::None)); bond->addItem(QObject::tr("Length"), int(LabelOptions::Length)); bond->addItem(QObject::tr("Index"), int(LabelOptions::Index)); bond->addItem(QObject::tr("Custom"), int(LabelOptions::Custom)); QObject::connect(bond, SIGNAL(currentIndexChanged(int)), slot, SLOT(bondLabelType(int))); form->addRow(QObject::tr("Bond Label:"), bond); auto* residue = new QComboBox; residue->setObjectName("residue"); for (char i = 0x00; i < std::pow(2, 2); ++i) { if (i == 0) { residue->addItem(QObject::tr("None"), QVariant(LabelOptions::None)); } else { char val = 0x00; QStringList text; if (i & LabelOptions::Index) { text << QObject::tr("ID"); val |= LabelOptions::Index; } if (i & LabelOptions::Name) { text << QObject::tr("Name"); val |= LabelOptions::Name; } if (val != 0x00) { QString join = QObject::tr(" & "); residue->addItem(text.join(join), QVariant(val)); if (val == residueOptions) { residue->setCurrentText(text.join(join)); } } } } QObject::connect(residue, SIGNAL(currentIndexChanged(int)), slot, SLOT(residueLabelType(int))); // residue->model()->sort(0, Qt::AscendingOrder); form->addRow(QObject::tr("Residue Label:"), residue); v->addLayout(form); v->addStretch(1); widget->setLayout(v); } } }; Label::Label(QObject* parent_) : QtGui::ScenePlugin(parent_) { m_layerManager = PluginLayerManager(m_name); } Label::~Label() {} void Label::process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) { m_layerManager.load(); for (size_t layer = 0; layer < m_layerManager.layerCount(); ++layer) { auto* interface = m_layerManager.getSetting(layer); if (interface->residueOptions) { processResidue(molecule, node, layer); } if (interface->atomOptions) { processAtom(molecule, node, layer); } if (interface->bondOptions) { processBond(molecule, node, layer); } } } void Label::processResidue(const Core::Molecule& molecule, Rendering::GroupNode& node, size_t layer) { auto* geometry = new GeometryNode; node.addChild(geometry); for (const auto& residue : molecule.residues()) { Atom caAtom = residue.getAtomByName("CA"); if (!caAtom.isValid() || !m_layerManager.atomEnabled(layer, caAtom.index())) { continue; } auto name = residue.residueName(); const auto atoms = residue.residueAtoms(); Vector3f pos = Vector3f::Zero(); for (const auto& atom : atoms) { pos += atom.position3d().cast(); } pos /= static_cast(atoms.size()); float radius = 0.0f; for (const auto& atom : atoms) { unsigned char atomicNumber = atom.atomicNumber(); auto auxR = static_cast(Elements::radiusVDW(atomicNumber)); auxR += (atom.position3d().cast() - pos).norm(); if (auxR > radius) { auxR = radius; } } auto* interface = m_layerManager.getSetting(layer); Vector3ub color = interface->color; std::string text = ""; if (interface->residueOptions & LayerLabel::LabelOptions::Index) { text = std::to_string(residue.residueId()); } if (interface->residueOptions & LayerLabel::LabelOptions::Name) { text += (text == "" ? "" : " / ") + name; } TextLabel3D* residueLabel = createLabel(text, pos, radius, color); geometry->addDrawable(residueLabel); } } QString partialCharge(Molecule* molecule, int atom) { // TODO: we need to track type and/or calling the charge calculator float charge = 0.0; std::set types = molecule->partialChargeTypes(); if (types.size() > 0) { auto first = types.cbegin(); MatrixX charges = molecule->partialCharges((*first)); charge = charges(atom, 0); } else { // find something const auto options = Calc::ChargeManager::instance().identifiersForMolecule(*molecule); if (options.size() > 0) { // look for GFN2 or AM1BCC, then MMFF94 then Gasteiger std::string type; if (options.find("GFN2") != options.end()) type = "GFN2"; else if (options.find("am1bcc") != options.end()) type = "am1bcc"; else if (options.find("mmff94") != options.end()) type = "mmff94"; else if (options.find("gasteiger") != options.end()) type = "gasteiger"; else type = *options.begin(); MatrixX charges = Calc::ChargeManager::instance().partialCharges(type, *molecule); charge = charges(atom, 0); } } // e.g. '-0.12' => 5 characters return QString("%L1").arg(charge, 5, 'f', 2); } void Label::processAtom(const Core::Molecule& molecule, Rendering::GroupNode& node, size_t layer) { auto* geometry = new GeometryNode; node.addChild(geometry); std::map atomCount; for (Index i = 0; i < molecule.atomCount(); ++i) { Core::Atom atom = molecule.atom(i); unsigned char atomicNumber = atom.atomicNumber(); if (atomCount.find(atomicNumber) == atomCount.end()) { atomCount[atomicNumber] = 1; } else { ++atomCount[atomicNumber]; } if (!m_layerManager.atomEnabled(layer, i)) { continue; } auto* interface = m_layerManager.getSetting(layer); std::string text = atom.label(); if (interface->atomOptions & LayerLabel::LabelOptions::PartialCharge) { QString charge = partialCharge(const_cast(&molecule), i); text += charge.toStdString(); } if (interface->atomOptions & LayerLabel::LabelOptions::Custom) { // already set } if (interface->atomOptions & LayerLabel::LabelOptions::Index) { text += (text == "" ? "" : " / ") + std::to_string(atom.index() + 1); } if (interface->atomOptions & LayerLabel::LabelOptions::Name) { text += (text == "" ? "" : " / ") + std::string(Elements::symbol(atomicNumber)); } if (interface->atomOptions & LayerLabel::LabelOptions::Ordinal) { text += (text == "" ? "" : " / ") + std::string(Elements::symbol(atomicNumber) + std::to_string(atomCount[atomicNumber])); } if (interface->atomOptions & LayerLabel::LabelOptions::UniqueID) { text += (text == "" ? "" : " / ") + std::to_string(atom.index()); } if (text != "") { const Vector3f pos(atom.position3d().cast()); Vector3ub color = interface->color; float radius = static_cast(Elements::radiusVDW(atomicNumber)) * interface->radiusScalar; TextLabel3D* atomLabel = createLabel(text, pos, radius, color); geometry->addDrawable(atomLabel); } } } void Label::processBond(const Core::Molecule& molecule, Rendering::GroupNode& node, size_t layer) { auto* geometry = new GeometryNode; node.addChild(geometry); std::map bondCount; for (Index i = 0; i < molecule.bondCount(); ++i) { Core::Bond bond = molecule.bond(i); // check if the bond is enabled in this layer if (!m_layerManager.bondEnabled(bond.atom1().index(), bond.atom2().index())) { continue; } // get the options for this bond Core::Atom atom1 = bond.atom1(); Core::Atom atom2 = bond.atom2(); auto* interface1 = m_layerManager.getSetting( m_layerManager.getLayerID(atom1.index())); auto* interface2 = m_layerManager.getSetting( m_layerManager.getLayerID(atom2.index())); // get the union of the options char options = interface1->bondOptions | interface2->bondOptions; Vector3ub color = interface1->color; unsigned char atomicNumber1 = atom1.atomicNumber(); unsigned char atomicNumber2 = atom2.atomicNumber(); float radiusVDW1 = static_cast(Elements::radiusVDW(atomicNumber1)); float radiusVDW2 = static_cast(Elements::radiusVDW(atomicNumber2)); float radius = (radiusVDW1 + radiusVDW2) * interface1->radiusScalar / 2.0f; std::stringstream text; // hopefully not all at once if (options & LayerLabel::LabelOptions::Index) { text << bond.index(); } if (options & LayerLabel::LabelOptions::Custom) { text << bond.label(); } if (options & LayerLabel::LabelOptions::Length) { text << std::fixed << std::setprecision(2) << bond.length(); } // position will be between the two atoms Vector3f pos = (atom1.position3d().cast() + atom2.position3d().cast()) / 2.0f; TextLabel3D* bondLabel = createLabel(text.str(), pos, radius, color); geometry->addDrawable(bondLabel); } } void Label::setColor(const QColor& color) { auto* interface = m_layerManager.getSetting(); interface->color[0] = static_cast(color.red()); interface->color[1] = static_cast(color.green()); interface->color[2] = static_cast(color.blue()); emit drawablesChanged(); QSettings settings; settings.setValue("label/color", color); } void Label::atomLabelType(int index) { auto* interface = m_layerManager.getSetting(); interface->atomOptions = char(setupWidget() ->findChildren("atom")[0] ->itemData(index) .toInt()); emit drawablesChanged(); } void Label::bondLabelType(int index) { auto* interface = m_layerManager.getSetting(); interface->bondOptions = char(setupWidget() ->findChildren("bond")[0] ->itemData(index) .toInt()); emit drawablesChanged(); } void Label::residueLabelType(int index) { auto* interface = m_layerManager.getSetting(); interface->residueOptions = char(setupWidget() ->findChildren("residue")[0] ->itemData(index) .toInt()); emit drawablesChanged(); } void Label::setRadiusScalar(double radius) { auto* interface = m_layerManager.getSetting(); interface->radiusScalar = float(radius); emit drawablesChanged(); QSettings settings; settings.setValue("label/radiusScalar", interface->radiusScalar); } QWidget* Label::setupWidget() { auto* interface = m_layerManager.getSetting(); interface->setupWidget(this); return interface->widget; } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/label/label.h000066400000000000000000000034641474375334400225110ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_LABEL_H #define AVOGADRO_QTPLUGINS_LABEL_H #include #include namespace Avogadro { namespace QtPlugins { /** * @brief Render labels to each atom. */ class Label : public QtGui::ScenePlugin { Q_OBJECT public: explicit Label(QObject* parent = nullptr); ~Label() override; QString name() const override { return tr("Labels"); } QString description() const override { return tr("Display labels on ball and stick style."); } QWidget* setupWidget() override; bool hasSetupWidget() const override { return true; } void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; DefaultBehavior defaultBehavior() const override { return DefaultBehavior::False; } public slots: void atomLabelType(int index); void bondLabelType(int index); void residueLabelType(int index); void setRadiusScalar(double radius); void setColor(const QColor& color); private: void processAtom(const Core::Molecule& molecule, Rendering::GroupNode& node, size_t layer); void processBond(const Core::Molecule& molecule, Rendering::GroupNode& node, size_t layer); void processResidue(const Core::Molecule& molecule, Rendering::GroupNode& node, size_t layer); Rendering::GroupNode* m_group; std::string m_name = "Labels"; Vector3ub m_color; }; } // end namespace QtPlugins } // end namespace Avogadro #endif // AVOGADRO_QTPLUGINS_LABEL_H avogadrolibs-1.100.0/avogadro/qtplugins/label/label.qrc000066400000000000000000000002071474375334400230370ustar00rootroot00000000000000 label_light.svg label_dark.svg avogadrolibs-1.100.0/avogadro/qtplugins/label/label_dark.svg000066400000000000000000000060161474375334400240560ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/label/label_light.svg000066400000000000000000000060161474375334400242440ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/label/labeleditor.cpp000066400000000000000000000102661474375334400242510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "labeleditor.h" #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using Core::Elements; using QtGui::RWAtom; using Rendering::GeometryNode; using Rendering::Identifier; using Rendering::TextLabel3D; LabelEditor::LabelEditor(QObject* parent_) : QtGui::ToolPlugin(parent_), m_activateAction(new QAction(this)), m_molecule(nullptr), m_glWidget(nullptr), m_renderer(nullptr), m_selected(false), m_text("") { QString shortcut = tr("Ctrl+4", "control-key 4"); m_activateAction->setText(tr("Edit Labels")); m_activateAction->setToolTip( tr("Atom Label Tool \t(%1)\n\n" "Left Mouse: \tClick on Atoms to add Custom Labels") .arg(shortcut)); setIcon(); } LabelEditor::~LabelEditor() {} void LabelEditor::setIcon(bool darkTheme) { if (darkTheme) m_activateAction->setIcon(QIcon(":/icons/label_dark.svg")); else m_activateAction->setIcon(QIcon(":/icons/label_light.svg")); } QUndoCommand* LabelEditor::mouseReleaseEvent(QMouseEvent* e) { e->ignore(); return nullptr; } QUndoCommand* LabelEditor::mouseMoveEvent(QMouseEvent* e) { e->ignore(); return nullptr; } QUndoCommand* LabelEditor::keyPressEvent(QKeyEvent* e) { if (m_selected && !e->text().isEmpty()) { e->accept(); const QChar text = e->text()[0]; if (text.isPrint()) { m_text.append(text); } else if (e->key() == Qt::Key_Backspace) { m_text.chop(1); } else if (e->key() == Qt::Key_Enter || e->key() == Qt::Key_Return) { save(); } emit drawablesChanged(); } return nullptr; } void LabelEditor::save() { m_molecule->beginMergeMode(tr("Create Label")); m_selectedAtom.setLabel(m_text.toStdString()); m_molecule->endMergeMode(); m_text.clear(); m_selectedAtom = RWAtom(); // make sure the label display is made active emit requestActiveDisplayTypes(QStringList() << "Labels"); } QUndoCommand* LabelEditor::mousePressEvent(QMouseEvent* e) { if (!m_renderer || !m_molecule) return nullptr; if (e->buttons() & Qt::LeftButton) { if (m_selectedAtom.isValid()) { e->accept(); save(); emit drawablesChanged(); } Identifier clickedObject = m_renderer->hit(e->pos().x(), e->pos().y()); m_selected = (clickedObject.type == Rendering::AtomType); if (m_selected) { e->accept(); m_selectedAtom = m_molecule->atom(clickedObject.index); m_text = QString::fromStdString(m_selectedAtom.label()); emit drawablesChanged(); } else { // clicked on empty space e->ignore(); } } else { e->ignore(); } return nullptr; } namespace { TextLabel3D* createLabel(const std::string& text, const Vector3f& pos, float radius) { Rendering::TextProperties tprop; tprop.setAlign(Rendering::TextProperties::HCenter, Rendering::TextProperties::VCenter); tprop.setFontFamily(Rendering::TextProperties::SansSerif); tprop.setColorRgb(255, 255, 255); auto* label = new TextLabel3D; label->setText(text); label->setRenderPass(Rendering::Overlay3DPass); label->setTextProperties(tprop); label->setRadius(radius); label->setAnchor(pos); return label; } } // namespace void LabelEditor::draw(Rendering::GroupNode& node) { if (m_renderer == nullptr || m_molecule == nullptr || !m_selected || !m_selectedAtom.isValid()) { return; } auto* geometry = new GeometryNode; node.addChild(geometry); unsigned char atomicNumber = m_selectedAtom.atomicNumber(); const Vector3f pos(m_selectedAtom.position3d().cast()); float radius = static_cast(Elements::radiusVDW(atomicNumber)) * 0.6f; TextLabel3D* atomLabel = createLabel(m_text.toStdString(), pos, radius); geometry->addDrawable(atomLabel); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/label/labeleditor.h000066400000000000000000000037241474375334400237170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_LABELEDITOR_H #define AVOGADRO_QTPLUGINS_LABELEDITOR_H #include #include #include namespace Avogadro { namespace QtPlugins { class LabelEditor : public QtGui::ToolPlugin { Q_OBJECT public: explicit LabelEditor(QObject* parent_ = nullptr); ~LabelEditor() override; QString name() const override { return tr("Label editor tool"); } QString description() const override { return tr("Label editor tool"); } unsigned char priority() const override { return 25; } QAction* activateAction() const override { return m_activateAction; } void setIcon(bool darkTheme = false) override; void setMolecule(QtGui::Molecule* mol) override { if (mol) m_molecule = mol->undoMolecule(); } void setEditMolecule(QtGui::RWMolecule* mol) override { m_molecule = mol; } void setGLWidget(QtOpenGL::GLWidget* widget) override { m_glWidget = widget; } void setGLRenderer(Rendering::GLRenderer* renderer) override { m_renderer = renderer; } QWidget* toolWidget() const override { return nullptr; } QUndoCommand* mousePressEvent(QMouseEvent* e) override; QUndoCommand* mouseReleaseEvent(QMouseEvent* e) override; QUndoCommand* mouseMoveEvent(QMouseEvent* e) override; QUndoCommand* keyPressEvent(QKeyEvent* e) override; void draw(Rendering::GroupNode& node) override; private: void save(); QAction* m_activateAction; QtGui::RWMolecule* m_molecule; QtOpenGL::GLWidget* m_glWidget; Rendering::GLRenderer* m_renderer; bool m_selected; QtGui::RWAtom m_selectedAtom; QString m_text; }; } // namespace QtPlugins } // namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/qtplugins/lammpsinput/000077500000000000000000000000001474375334400225445ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/lammpsinput/CMakeLists.txt000066400000000000000000000004201474375334400253000ustar00rootroot00000000000000# Extension set(gamessinput_srcs lammpsinputdialog.cpp lammpsinput.cpp ) avogadro_plugin(LammpsInput "LAMMPS input file generation" ExtensionPlugin lammpsinput.h LammpsInput "${gamessinput_srcs}" lammpsinputdialog.ui ) target_link_libraries(LammpsInput) avogadrolibs-1.100.0/avogadro/qtplugins/lammpsinput/lammpsinput.cpp000066400000000000000000000040571474375334400256270ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "lammpsinput.h" #include "lammpsinputdialog.h" #include #include #include #include #include #include namespace Avogadro { namespace Core { class Molecule; } namespace QtPlugins { LammpsInput::LammpsInput(QObject* parent_) : ExtensionPlugin(parent_), m_action(new QAction(this)), m_molecule(nullptr), m_dialog(nullptr), m_outputFormat(nullptr) { m_action->setEnabled(true); m_action->setText(tr("&LAMMPS…")); connect(m_action, SIGNAL(triggered()), SLOT(menuActivated())); } LammpsInput::~LammpsInput() { } QList LammpsInput::actions() const { QList actions_; actions_.append(m_action); return actions_; } QStringList LammpsInput::menuPath(QAction*) const { QStringList path; path << tr("&Input"); return path; } void LammpsInput::setMolecule(QtGui::Molecule* mol) { if (m_dialog) m_dialog->setMolecule(mol); m_molecule = mol; } bool LammpsInput::readMolecule(QtGui::Molecule& mol) { Io::FileFormat* reader = m_outputFormat->newInstance(); bool success = reader->readFile(m_outputFileName.toStdString(), mol); if (!success) { QMessageBox::information(qobject_cast(parent()), tr("Error"), tr("Error reading output file '%1':\n%2") .arg(m_outputFileName) .arg(QString::fromStdString(reader->error()))); } m_outputFormat = nullptr; m_outputFileName.clear(); return success; } void LammpsInput::menuActivated() { if (!m_dialog) { m_dialog = new LammpsInputDialog(qobject_cast(parent())); } m_dialog->setMolecule(m_molecule); m_dialog->show(); } } } avogadrolibs-1.100.0/avogadro/qtplugins/lammpsinput/lammpsinput.h000066400000000000000000000027111474375334400252670ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_LAMMPSINPUT_H #define AVOGADRO_QTPLUGINS_LAMMPSINPUT_H #include class QAction; class QDialog; namespace Avogadro { namespace Io { class FileFormat; } namespace QtPlugins { class LammpsInputDialog; class LammpsInput : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit LammpsInput(QObject* parent = nullptr); ~LammpsInput() override; QString name() const override { return tr("LAMMPS input"); } QString description() const override { return tr("Generate input for LAMMPS."); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule* mol) override; public slots: /** * Emitted when the user requests that a job's output be loaded in Avogadro. */ // void openJobOutput(const MoleQueue::JobObject& job); bool readMolecule(QtGui::Molecule& mol) override; private slots: void menuActivated(); private: QAction* m_action; QtGui::Molecule* m_molecule; LammpsInputDialog* m_dialog; const Io::FileFormat* m_outputFormat; QString m_outputFileName; }; } } #endif // AVOGADRO_QTPLUGINS_LAMMPSINPUT_H avogadrolibs-1.100.0/avogadro/qtplugins/lammpsinput/lammpsinputdialog.cpp000066400000000000000000000633021474375334400270050ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "lammpsinputdialog.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { LammpsInputDialog::LammpsInputDialog(QWidget* parent, Qt::WindowFlags flag) : QDialog(parent, flag), m_molecule(nullptr), m_unitType(real), m_title("Title"), m_savePath(""), m_dimensionType(d3), m_xBoundaryType(p), m_yBoundaryType(p), m_zBoundaryType(p), m_atomStyle(full), m_waterPotential(NONE), m_ensemble(NVT), m_temperature(298.15), m_nhChain(1), m_timeStep(2.0), m_runSteps(50), m_xReplicate(1), m_yReplicate(1), m_zReplicate(1), m_dumpStep(1), m_velocityDist(gaussian), m_velocityTemp(298.15), m_zeroMOM(true), m_zeroL(true), m_thermoStyle(one), m_thermoInterval(50), m_output(), m_dirty(false), m_warned(false), readData(false), m_jobEdit(nullptr), m_moleculeEdit(nullptr) { ui.setupUi(this); // Connect the GUI elements to the correct slots connect(ui.titleLine, SIGNAL(editingFinished()), this, SLOT(setTitle())); // now for something useful connect(ui.unitsCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setUnits(int))); connect(ui.atomStyleCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setAtomStyle(int))); connect(ui.dimensionCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setDimensionType(int))); connect(ui.xBoundaryCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setXBoundaryType(int))); connect(ui.yBoundaryCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setYBoundaryType(int))); connect(ui.zBoundaryCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setZBoundaryType(int))); connect(ui.waterPotentialCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setWaterPotential(int))); connect(ui.readDataLine, SIGNAL(editingFinished()), this, SLOT(setReadData())); connect(ui.ensembleCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setEnsemble(int))); connect(ui.tempSpin, SIGNAL(valueChanged(double)), this, SLOT(setTemperature(double))); connect(ui.nhChainSpin, SIGNAL(valueChanged(int)), this, SLOT(setNHChain(int))); connect(ui.stepSpin, SIGNAL(valueChanged(double)), this, SLOT(setTimeStep(double))); connect(ui.runSpin, SIGNAL(valueChanged(int)), this, SLOT(setRunSteps(int))); connect(ui.xReplicateSpin, SIGNAL(valueChanged(int)), this, SLOT(setXReplicate(int))); connect(ui.yReplicateSpin, SIGNAL(valueChanged(int)), this, SLOT(setYReplicate(int))); connect(ui.zReplicateSpin, SIGNAL(valueChanged(int)), this, SLOT(setZReplicate(int))); connect(ui.dumpXYZEdit, SIGNAL(editingFinished()), this, SLOT(setDumpXYZ())); connect(ui.dumpStepSpin, SIGNAL(valueChanged(int)), this, SLOT(setDumpStep(int))); connect(ui.velocityDistCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setVelocityDist(int))); connect(ui.velocityTempSpin, SIGNAL(valueChanged(double)), this, SLOT(setVelocityTemp(double))); connect(ui.zeroMOMCheck, SIGNAL(toggled(bool)), this, SLOT(setZeroMOM(bool))); connect(ui.zeroLCheck, SIGNAL(toggled(bool)), this, SLOT(setZeroL(bool))); connect(ui.thermoStyleCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setThermoStyle(int))); connect(ui.thermoSpin, SIGNAL(valueChanged(int)), this, SLOT(setThermoInterval(int))); connect(ui.generateButton, SIGNAL(clicked()), this, SLOT(generateClicked())); connect(ui.resetButton, SIGNAL(clicked()), this, SLOT(resetClicked())); connect(ui.enableFormButton, SIGNAL(clicked()), this, SLOT(enableFormClicked())); QSettings settings; readSettings(settings); // Generate an initial preview of the input deck updatePreviewText(); addMoleculeDataTab(); } LammpsInputDialog::~LammpsInputDialog() { QSettings settings; writeSettings(settings); } void LammpsInputDialog::showEvent(QShowEvent*) { updatePreviewText(); addMoleculeDataTab(); } void LammpsInputDialog::updatePreviewText() { if (!isVisible()) return; int jobTabPosition = 0; // Store the currently displayed tab int currIndex = ui.tabWidget->currentIndex(); // Generate the input deck and display it if (m_dirty) { QString message = tr("Would you like to update the preview text, losing all " "changes made in the Lammps input deck preview pane?"); int response = QMessageBox::question( this, tr("Overwrite modified input files?"), message, QMessageBox::Yes | QMessageBox::No, QMessageBox::No); if (static_cast(response) == QMessageBox::No) { return; } } ui.tabWidget->removeTab(jobTabPosition); m_jobFileName = (ui.baseNameEdit->text().isEmpty() ? ui.baseNameEdit->placeholderText() : ui.baseNameEdit->text()) + ".lmp"; m_jobEdit = new QTextEdit(this); m_jobEdit->setObjectName(m_jobFileName); m_jobEdit->setFontFamily("monospace"); connect(m_jobEdit, SIGNAL(textChanged()), this, SLOT(textEditModified())); m_jobEdit->setText(generateInputDeck()); ui.tabWidget->insertTab(jobTabPosition, m_jobEdit, m_jobFileName); deckDirty(false); // Restore current tab ui.tabWidget->setCurrentIndex(currIndex); } void LammpsInputDialog::addMoleculeDataTab() { int molTabPosition = 1; if (m_molecule) { ui.tabWidget->removeTab(molTabPosition); std::string molOutput, extension = "lmpdat"; m_moleculeFileName = (ui.baseNameEdit->text().isEmpty() ? ui.baseNameEdit->placeholderText() : ui.baseNameEdit->text()) + "." + QString::fromStdString(extension); bool writeSDF = Io::FileFormatManager::instance().writeString( *m_molecule, molOutput, extension); if (writeSDF) { m_moleculeEdit = new QTextEdit(this); m_moleculeEdit->setObjectName(m_moleculeFileName); m_moleculeEdit->setFontFamily("monospace"); m_moleculeEdit->setText(QString::fromStdString(molOutput)); ui.tabWidget->insertTab(molTabPosition, m_moleculeEdit, m_moleculeFileName); } } } void LammpsInputDialog::textEditModified() { if (auto* edit = qobject_cast(sender())) { if (edit->document()->isModified()) { deckDirty(true); } else { deckDirty(false); } } } void LammpsInputDialog::resetClicked() { // Reset the form to defaults deckDirty(false); ui.unitsCombo->setCurrentIndex(1); ui.atomStyleCombo->setCurrentIndex(7); ui.dimensionCombo->setCurrentIndex(1); ui.xBoundaryCombo->setCurrentIndex(0); ui.yBoundaryCombo->setCurrentIndex(0); ui.zBoundaryCombo->setCurrentIndex(0); ui.waterPotentialCombo->setCurrentIndex(0); ui.ensembleCombo->setCurrentIndex(0); ui.tempSpin->setValue(298.15); ui.nhChainSpin->setValue(1); ui.stepSpin->setValue(2.0); ui.runSpin->setValue(50); ui.xReplicateSpin->setValue(1); ui.yReplicateSpin->setValue(1); ui.zReplicateSpin->setValue(1); ui.dumpStepSpin->setValue(1); ui.thermoStyleCombo->setCurrentIndex(0); ui.thermoSpin->setValue(50); updatePreviewText(); addMoleculeDataTab(); } void LammpsInputDialog::generateClicked() { QSettings settings; QString directory = settings.value("lammpsInput/outputDirectory", QDir::homePath()).toString(); if (directory.isEmpty()) directory = QDir::homePath(); directory = QFileDialog::getExistingDirectory( this, tr("Select output directory"), directory); // User cancel: if (directory.isNull()) return; settings.setValue("lammpsInput/outputDirectory", directory); QDir dir(directory); // Check for problems: QStringList errors; bool fatalError = false; do { // Do/while to break on fatal errors if (!dir.exists()) { errors << tr("%1: Directory does not exist!").arg(dir.absolutePath()); fatalError = true; break; } if (!dir.isReadable()) { errors << tr("%1: Directory cannot be read!").arg(dir.absolutePath()); fatalError = true; break; } QFileInfo jobFileInfo(dir.absoluteFilePath(m_jobFileName)); if (jobFileInfo.exists()) { errors << tr("%1: File will be overwritten.") .arg(jobFileInfo.absoluteFilePath()); } // Attempt to open the file for writing if (!QFile(jobFileInfo.absoluteFilePath()).open(QFile::WriteOnly)) { errors << tr("%1: File is not writable.").arg(jobFileInfo.absoluteFilePath()); fatalError = true; break; } QFileInfo molFileInfo(dir.absoluteFilePath(m_moleculeFileName)); if (molFileInfo.exists()) { errors << tr("%1: File will be overwritten.") .arg(molFileInfo.absoluteFilePath()); } // Attempt to open the file for writing if (!QFile(molFileInfo.absoluteFilePath()).open(QFile::WriteOnly)) { errors << tr("%1: File is not writable.").arg(molFileInfo.absoluteFilePath()); fatalError = true; break; } } while (false); // only run once // Handle fatal errors: if (fatalError) { QString formattedError; switch (errors.size()) { case 0: formattedError = tr("The input files cannot be written due to an unknown error."); break; case 1: formattedError = tr("The input files cannot be written:\n\n%1").arg(errors.first()); break; default: { // If a fatal error occurred, it will be last one in the list. Pop it off // and tell the user that it was the reason we had to stop. QString fatal = errors.last(); QStringList tmp(errors); tmp.pop_back(); formattedError = tr("The input files cannot be written:\n\n%1\n\nWarnings:\n\n%2") .arg(fatal, tmp.join("\n")); break; } } QMessageBox::critical(this, tr("Output Error"), formattedError); return; } // Non-fatal errors: if (!errors.isEmpty()) { QString formattedError = tr("Warning:\n\n%1\n\nWould you like to continue?") .arg(errors.join("\n")); QMessageBox::StandardButton reply = QMessageBox::warning(this, tr("Write input files"), formattedError, QMessageBox::Yes | QMessageBox::No, QMessageBox::No); if (reply != QMessageBox::Yes) return; } bool success = false; if (m_jobEdit && m_moleculeEdit) { QFile jobFile(dir.absoluteFilePath(m_jobFileName)); if (jobFile.open(QFile::WriteOnly | QFile::Text)) { if (jobFile.write(m_jobEdit->toPlainText().toLocal8Bit()) > 0) { success = true; } jobFile.close(); } if (!success) { QMessageBox::critical( this, tr("Output Error"), tr("Failed to write to file %1.").arg(jobFile.fileName())); } QFile molFile(dir.absoluteFilePath(m_moleculeFileName)); if (molFile.open(QFile::WriteOnly | QFile::Text)) { if (molFile.write(m_moleculeEdit->toPlainText().toLocal8Bit()) > 0) { success = true; } molFile.close(); } if (!success) { QMessageBox::critical( this, tr("Output Error"), tr("Failed to write to file %1.").arg(molFile.fileName())); } } } void LammpsInputDialog::enableFormClicked() { updatePreviewText(); } void LammpsInputDialog::setTitle() { m_title = ui.titleLine->text(); updatePreviewText(); } void LammpsInputDialog::setUnits(int n) { m_unitType = (LammpsInputDialog::unitType)n; ui.unitsCombo->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setAtomStyle(int n) { m_atomStyle = (LammpsInputDialog::atomStyle)n; ui.atomStyleCombo->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setDimensionType(int n) { m_dimensionType = static_cast(n); ui.dimensionCombo->setEnabled(true); if (n == 0) { setZBoundaryType(0); ui.zBoundaryCombo->setCurrentIndex(0); ui.zBoundaryCombo->setEnabled(false); ui.zReplicateSpin->setValue(1); ui.zReplicateSpin->setEnabled(false); } if (n == 1) { ui.zBoundaryCombo->setEnabled(true); ui.zReplicateSpin->setEnabled(true); } updatePreviewText(); } void LammpsInputDialog::setXBoundaryType(int n) { m_xBoundaryType = static_cast(n); ui.xBoundaryCombo->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setYBoundaryType(int n) { m_yBoundaryType = static_cast(n); ui.yBoundaryCombo->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setZBoundaryType(int n) { m_zBoundaryType = static_cast(n); // should be careful here // z boundary must be p for 2d!!! ui.zBoundaryCombo->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setWaterPotential(int n) { m_waterPotential = static_cast(n); ui.waterPotentialCombo->setEnabled(true); if (n == 1) { setAtomStyle(7); ui.atomStyleCombo->setCurrentIndex(7); ui.atomStyleCombo->setEnabled(false); } if (n == 0) { ui.atomStyleCombo->setEnabled(true); } updatePreviewText(); } void LammpsInputDialog::setReadData() { m_readData = ui.readDataLine->text(); if (m_readData != "") readData = true; else readData = false; updatePreviewText(); } void LammpsInputDialog::setMolecule(QtGui::Molecule* molecule) { // Disconnect the old molecule first... if (molecule == m_molecule) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = molecule; // Update the preview text whenever primitives are changed connect(molecule, SIGNAL(changed(unsigned int)), SLOT(updatePreviewText())); updatePreviewText(); } void LammpsInputDialog::setEnsemble(int n) { m_ensemble = static_cast(n); ui.ensembleCombo->setEnabled(true); if (n == 1) { ui.tempSpin->setValue(0.0); ui.tempSpin->setEnabled(false); ui.nhChainSpin->setValue(0); ui.nhChainSpin->setEnabled(false); } else if (n == 0) { ui.tempSpin->setEnabled(true); ui.nhChainSpin->setEnabled(true); ui.nhChainSpin->setValue(1); } updatePreviewText(); } void LammpsInputDialog::setTemperature(double n) { m_temperature = n; ui.tempSpin->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setNHChain(int n) { m_nhChain = n; ui.nhChainSpin->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setTimeStep(double n) { m_timeStep = n; ui.stepSpin->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setRunSteps(int n) { m_runSteps = n; ui.runSpin->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setXReplicate(int n) { m_xReplicate = n; ui.xReplicateSpin->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setYReplicate(int n) { m_yReplicate = n; ui.yReplicateSpin->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setZReplicate(int n) { m_zReplicate = n; ui.zReplicateSpin->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setDumpStep(int n) { m_dumpStep = n; ui.dumpStepSpin->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setDumpXYZ() { m_dumpXYZ = ui.dumpXYZEdit->text(); updatePreviewText(); } void LammpsInputDialog::setVelocityDist(int n) { m_velocityDist = static_cast(n); ui.velocityDistCombo->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setVelocityTemp(double n) { m_velocityTemp = n; ui.velocityTempSpin->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setZeroMOM(bool state) { m_zeroMOM = state; ui.zeroMOMCheck->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setZeroL(bool state) { m_zeroL = state; ui.zeroLCheck->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setThermoStyle(int n) { m_thermoStyle = static_cast(n); ui.thermoStyleCombo->setEnabled(true); updatePreviewText(); } void LammpsInputDialog::setThermoInterval(int n) { m_thermoInterval = n; ui.thermoSpin->setEnabled(true); updatePreviewText(); } QString LammpsInputDialog::generateInputDeck() { // Generate an input deck based on the settings of the dialog QString buffer; QTextStream mol(&buffer); mol << "# LAMMPS Input file generated by Avogadro\n"; mol << "# " << m_title << "\n\n"; mol << "# Initialization\n"; mol << "units " << getUnitType(m_unitType) << "\n"; mol << "dimension " << getDimensionType(m_dimensionType) << "\n"; mol << "boundary " << getXBoundaryType(m_xBoundaryType) << " " << getYBoundaryType(m_yBoundaryType) << " " << getZBoundaryType(m_zBoundaryType) << "\n"; mol << "atom_style " << getAtomStyle(m_atomStyle) << "\n"; mol << "\n"; mol << "# Atom Definition\n"; if (readData) mol << "read_data " << m_readData << "\n"; mol << "replicate " << m_xReplicate << " " << m_yReplicate << " " << m_zReplicate << "\n"; mol << "\n" << getWaterPotential(m_waterPotential) << "\n"; mol << "# Settings\n"; mol << "velocity all create " << Qt::fixed << qSetRealNumberPrecision(2) << m_velocityTemp << " " << "4928459 " << "rot " << getZeroL() << " " << "mom " << getZeroMOM() << " " << "dist " << getVelocityDist(m_velocityDist) << "\n"; mol << getEnsemble(m_ensemble) << "\n"; mol << "timestep " << Qt::fixed << qSetRealNumberPrecision(1) << m_timeStep << "\n"; mol << "\n"; mol << "# Output\n"; if (m_dumpXYZ != "") { mol << "dump dumpXYZ all xyz " << m_dumpStep << " " << m_dumpXYZ << "\n"; } mol << "thermo_style " << getThermoStyle(m_thermoStyle) << "\n"; mol << "thermo " << m_thermoInterval << "\n"; mol << "\n"; mol << "# Run the simulation\n"; mol << "run " << m_runSteps << "\n"; mol << "\n"; return buffer; } QString LammpsInputDialog::getUnitType(unitType t) { // Translate the enum to text for the output generation switch (t) { case lj: return "lj"; case real: return "real"; case metal: return "metal"; case si: return "si"; case cgs: return "cgs"; case u_electron: return "electron"; default: return "lj"; } } QString LammpsInputDialog::getAtomStyle(atomStyle t) { switch (t) { case angle: return "angle"; case atomic: return "atomic"; case bond: return "bond"; case charge: return "charge"; case dipole: return "dipole"; case a_electron: return "electron"; case ellipsoid: return "ellipsoid"; case full: return "full"; case line: return "line"; case meso: return "meso"; case molecular: return "molecular"; case peri: return "peri"; case sphere: return "sphere"; case tri: return "tri"; case wavepacket: return "wavepacket"; default: return "full"; } } QString LammpsInputDialog::getDimensionType(dimensionType t) { switch (t) { case d2: return "2d"; case d3: return "3d"; default: return "3d"; } } QString LammpsInputDialog::getXBoundaryType(boundaryType t) { switch (t) { case p: return "p"; case f: return "f"; case s: return "s"; case m: return "m"; case fs: return "fs"; case fm: return "fm"; default: return "p"; } } QString LammpsInputDialog::getYBoundaryType(boundaryType t) { switch (t) { case p: return "p"; case f: return "f"; case s: return "s"; case m: return "m"; case fs: return "fs"; case fm: return "fm"; default: return "p"; } } QString LammpsInputDialog::getZBoundaryType(boundaryType t) { switch (t) { case p: return "p"; case f: return "f"; case s: return "s"; case m: return "m"; case fs: return "fs"; case fm: return "fm"; default: return "p"; } } QString LammpsInputDialog::getWaterPotential(waterPotential t) { switch (t) { case NONE: { QString waterPotentialInput; QTextStream water(&waterPotentialInput); water << ""; return waterPotentialInput; } case SPC: { QString waterPotentialInput; QTextStream water(&waterPotentialInput); int Hydrogen; int Oxygen; determineAtomTypesSPC(Hydrogen, Oxygen); water << "# The SPC water potential\n" << "pair_style lj/cut/coul/cut 9.8 9.8\n" << "pair_coeff " << Oxygen << " " << Oxygen << " 0.15535 3.5533\n" << "pair_coeff " << "* " << Hydrogen << " 0.00000 0.0000\n" << "bond_style harmonic\n" << "angle_style harmonic\n" << "dihedral_style none\n" << "improper_style none\n" << "bond_coeff 1 100.00 1.000\n" << "angle_coeff 1 100.00 109.47\n" << "special_bonds lj/coul 0.0 0.0 0.5\n" << "fix RigidOHBonds all shake 0.0001 20 0 b 1 a 1\n"; return waterPotentialInput; } case SPCE: { QString waterPotentialInput; QTextStream water(&waterPotentialInput); int Hydrogen; int Oxygen; determineAtomTypesSPC(Hydrogen, Oxygen); water << "# The SPC/E water potential\n" << "pair_style lj/cut/coul/long 9.8 9.8\n" << "kspace_style pppm 1.0e-4\n" << "pair_coeff " << Oxygen << " " << Oxygen << " 0.15535 3.5533\n" << "pair_coeff " << "* " << Hydrogen << " 0.00000 0.0000\n" << "bond_style harmonic\n" << "angle_style harmonic\n" << "dihedral_style none\n" << "improper_style none\n" << "bond_coeff 1 100.00 1.000\n" << "angle_coeff 1 100.00 109.47\n" << "special_bonds lj/coul 0.0 0.0 0.5\n" << "fix RigidOHBonds all shake 0.0001 20 0 b 1 a 1\n"; return waterPotentialInput; } default: { QString waterPotentialInput; QTextStream water(&waterPotentialInput); water << "\n"; return waterPotentialInput; } } } QString LammpsInputDialog::getEnsemble(ensemble t) { switch (t) { case NVT: { QString ensembleInput; QTextStream fix(&ensembleInput); fix << "fix ensemble all nvt" << " temp " << Qt::fixed << qSetRealNumberPrecision(2) << m_temperature << " " << Qt::fixed << qSetRealNumberPrecision(2) << m_temperature << " 100 " << "tchain " << m_nhChain << "\n"; return ensembleInput; } case NVE: { QString ensembleInput; QTextStream fix(&ensembleInput); fix << "fix ensemble all nve\n"; return ensembleInput; } default: { QString ensembleInput; QTextStream fix(&ensembleInput); fix << "fix ensemble all nvt" << " temp " << Qt::fixed << qSetRealNumberPrecision(2) << m_temperature << " " << Qt::fixed << qSetRealNumberPrecision(2) << m_temperature << " 100 " << "tchain " << m_nhChain << "\n"; return ensembleInput; } } } QString LammpsInputDialog::getVelocityDist(velocityDist t) { switch (t) { case gaussian: return "gaussian"; case uniform: return "uniform"; default: return "gaussian"; } } QString LammpsInputDialog::getZeroMOM() { if (m_zeroMOM) return "yes"; else return "no"; } QString LammpsInputDialog::getZeroL() { if (m_zeroL) return "yes"; else return "no"; } QString LammpsInputDialog::getThermoStyle(thermoStyle t) { switch (t) { case one: return "one"; case multi: return "multi"; default: return "one"; } } void LammpsInputDialog::deckDirty(bool dirty) { m_dirty = dirty; ui.titleLine->setEnabled(!dirty); // ui.calculationCombo->setEnabled(!dirty); // ui.theoryCombo->setEnabled(!dirty); // ui.basisCombo->setEnabled(!dirty); // ui.multiplicitySpin->setEnabled(!dirty); // ui.chargeSpin->setEnabled(!dirty); ui.enableFormButton->setEnabled(dirty); } void LammpsInputDialog::readSettings(QSettings& settings) { m_savePath = settings.value("lammps/savepath").toString(); } void LammpsInputDialog::writeSettings(QSettings& settings) const { settings.setValue("lammps/savepath", m_savePath); } void LammpsInputDialog::determineAtomTypesSPC(int& hyd, int& oxy) { double ThisMass; QString ThisAtom; // QList atoms = m_molecule->atoms(); for (size_t i = 0; i < m_molecule->atomCount(); ++i) { Core::Atom atom = m_molecule->atom(i); ThisMass = Core::Elements::mass(atom.atomicNumber()); ThisAtom = Core::Elements::symbol(atom.atomicNumber()); AtomMass[ThisAtom] = ThisMass; } int AtomIndex = 0; // Set AtomType integer for (itr = AtomMass.begin(); itr != AtomMass.end(); ++itr) { AtomIndex++; AtomType[itr.key()] = AtomIndex; } // this is on purpose due to the use of // unordered_map in OpenBabel, which // returns a different order for O and H. hyd = AtomType.value("O"); oxy = AtomType.value("H"); } } avogadrolibs-1.100.0/avogadro/qtplugins/lammpsinput/lammpsinputdialog.h000066400000000000000000000104721474375334400264520ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef LAMMPSINPUTDIALOG_H #define LAMMPSINPUTDIALOG_H #include "ui_lammpsinputdialog.h" #include #include class QJsonObject; class QTextEdit; namespace Avogadro { namespace QtGui { class Molecule; } namespace QtPlugins { class LammpsInputDialog : public QDialog { Q_OBJECT public: explicit LammpsInputDialog(QWidget* parent = nullptr, Qt::WindowFlags flag = Qt::WindowFlags()); ~LammpsInputDialog(); void readSettings(QSettings&); void writeSettings(QSettings&) const; enum unitType { lj, real, metal, si, cgs, u_electron }; enum dimensionType { d2, d3 }; enum boundaryType { p, s, f, m, fs, fm }; enum atomStyle { angle, atomic, bond, charge, dipole, a_electron, ellipsoid, full, line, meso, molecular, peri, sphere, tri, wavepacket }; enum waterPotential { NONE, SPC, SPCE }; void setMolecule(QtGui::Molecule* molecule); enum ensemble { NVT, NVE }; enum velocityDist { gaussian, uniform }; enum thermoStyle { one, multi }; protected: /** * Reimplemented to update the dialog when it is shown */ void showEvent(QShowEvent* event); private: Ui::LammpsInputDialog ui; QtGui::Molecule* m_molecule; // QString m_title; QString m_readData; unitType m_unitType; QString m_title; QString m_savePath; dimensionType m_dimensionType; boundaryType m_xBoundaryType; boundaryType m_yBoundaryType; boundaryType m_zBoundaryType; atomStyle m_atomStyle; waterPotential m_waterPotential; // coordType m_coordType; ensemble m_ensemble; double m_temperature; int m_nhChain; double m_timeStep; int m_runSteps; int m_xReplicate; int m_yReplicate; int m_zReplicate; QString m_dumpXYZ; int m_dumpStep; velocityDist m_velocityDist; double m_velocityTemp; bool m_zeroMOM; bool m_zeroL; thermoStyle m_thermoStyle; int m_thermoInterval; QString m_output; bool m_dirty; bool m_warned; bool readData; QTextEdit* m_jobEdit; QTextEdit* m_moleculeEdit; QString m_moleculeFileName; QString m_jobFileName; // Generate an input deck as a string QString generateInputDeck(); QString getUnitType(unitType t); QString getAtomStyle(atomStyle t); QString getDimensionType(dimensionType t); QString getXBoundaryType(boundaryType t); QString getYBoundaryType(boundaryType t); QString getZBoundaryType(boundaryType t); QString getWaterPotential(waterPotential t); QString getEnsemble(ensemble t); QString getVelocityDist(velocityDist t); QString getZeroMOM(); QString getZeroL(); QString getThermoStyle(thermoStyle t); // Translate enums to strings // QString getCalculationType(calculationType t); // QString getWavefunction(void); // QString getTheoryType(theoryType t); // QString getBasisType(basisType t); // Enable/disable form elements void deckDirty(bool); void determineAtomTypesSPC(int& hyd, int& oxy); void addMoleculeDataTab(); // system typing QHash AtomType; QHash AtomMass; QHash::iterator itr; public Q_SLOTS: void updatePreviewText(); private Q_SLOTS: //! Button Slots void textEditModified(); void resetClicked(); void generateClicked(); void enableFormClicked(); void setTitle(); void setReadData(); void setUnits(int); void setAtomStyle(int); void setDimensionType(int); void setXBoundaryType(int); void setYBoundaryType(int); void setZBoundaryType(int); void setWaterPotential(int); void setEnsemble(int); void setTemperature(double); void setNHChain(int); void setTimeStep(double); void setRunSteps(int); void setXReplicate(int); void setYReplicate(int); void setZReplicate(int); void setDumpXYZ(); void setDumpStep(int); void setVelocityDist(int); void setVelocityTemp(double); void setZeroMOM(bool); void setZeroL(bool); void setThermoStyle(int); void setThermoInterval(int); }; } } #endif avogadrolibs-1.100.0/avogadro/qtplugins/lammpsinput/lammpsinputdialog.ui000066400000000000000000000725741474375334400266530ustar00rootroot00000000000000 LammpsInputDialog 0 0 774 697 0 0 LAMMPS Input true QLayout::SetNoConstraint QLayout::SetDefaultConstraint Input file comments Title: titleLine Input file comments Title Filename Base: job Select the unit style to be used during the simulation. <!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0//EN" "http://www.w3.org/TR/REC-html40/strict.dtd"> <html><head><meta name="qrichtext" content="1" /><style type="text/css"> p, li { white-space: pre-wrap; } </style></head><body style=" font-family:'Sans Serif'; font-size:10pt; font-weight:400; font-style:normal;"> <p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><a href="http://lammps.sandia.gov/doc/units.html"><span style=" text-decoration: underline; color:#0057ae;">http://lammps.sandia.gov/doc/units.html</span></a></p></body></html> Units unitsCombo Select the unit style to be used during the simulation. <!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0//EN" "http://www.w3.org/TR/REC-html40/strict.dtd"> <html><head><meta name="qrichtext" content="1" /><style type="text/css"> p, li { white-space: pre-wrap; } </style></head><body style=" font-family:'Sans Serif'; font-size:10pt; font-weight:400; font-style:normal;"> <p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><a href="http://lammps.sandia.gov/doc/units.html"><span style=" text-decoration: underline; color:#0057ae;">http://lammps.sandia.gov/doc/units.html</span></a></p></body></html> 1 lj real metal si cgs electron Water Potential NONE SPC SPC/E Qt::Horizontal Select atom_style used by the data file. <!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0//EN" "http://www.w3.org/TR/REC-html40/strict.dtd"> <html><head><meta name="qrichtext" content="1" /><style type="text/css"> p, li { white-space: pre-wrap; } </style></head><body style=" font-family:'Sans Serif'; font-size:10pt; font-weight:400; font-style:normal;"> <p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><a href="http://lammps.sandia.gov/doc/atom_style.html"><span style=" text-decoration: underline; color:#0057ae;">http://lammps.sandia.gov/doc/atom_style.html</span></a></p></body></html> Atom Style atomStyleCombo Select atom_style used by the data file. <!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0//EN" "http://www.w3.org/TR/REC-html40/strict.dtd"> <html><head><meta name="qrichtext" content="1" /><style type="text/css"> p, li { white-space: pre-wrap; } </style></head><body style=" font-family:'Sans Serif'; font-size:10pt; font-weight:400; font-style:normal;"> <p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><a href="http://lammps.sandia.gov/doc/atom_style.html"><span style=" text-decoration: underline; color:#0057ae;">http://lammps.sandia.gov/doc/atom_style.html</span></a></p></body></html> 7 angle atomic bond charge dipole electron ellipsoid full line meso molecular peri sphere tri wavepacket Specify the name to be used for the coordinate file. Coordinate Data File Specify the name to be used for the coordinate file. Ensemble NVT NVE Temperature 2 20000.000000000000000 298.149999999999977 Select the number of Nosé-Hoover chains in the NVT ensemble. NH Chains Select the number of Nosé-Hoover chains in the NVT ensemble. 0 1 Qt::Horizontal 40 20 1 Qt::Horizontal Time step for the simulation in units according to "Units" specification. Time Step Time step for the simulation in units according to "Units" specification. 0.500000000000000 2.000000000000000 Filename of the XYZ file to write during the simulation. Dump XYZ Qt::Horizontal Number of dimensions in the system. Dimensions dimensionCombo Change Z boundary style. 0 p s f m fs fm Change Y boundary style. 0 p s f m fs fm Change X boundary style. 0 p s f m fs fm Select boundary Styles in X, Y and Z directions. Boundary Qt::Horizontal 40 20 Number of replicants in X, Y and Z directions. Replicate Qt::Horizontal 40 20 Replicate the X direction. 1 Replicate the Y direction. 1 Replicate the Z direction. 1 Filename of the XYZ file to write during the simulation. Total number of timesteps to run the simulation. Total Steps Total number of timesteps to run the simulation. 1000000000 50 Qt::Horizontal 40 20 Dump Interval 10000 1 Qt::Horizontal 40 20 Set the initial atom velocities for the simulation. Initial Velocities Select the distribution of initial atom velocities. gaussian uniform Set the initial atom velocities to match this temperature. Temperature Set the initial atom velocities to match this temperature. 20000.000000000000000 0.500000000000000 298.149999999999977 Remove system linear momentum from initial velocities. Zero Linear Momentum true Remove system angular momentum from initial velocities. Zero Angular Momentum true Qt::Horizontal 40 20 Control the thermodynamic output during the simulation. Output Output Interval 10000 50 Qt::Horizontal 40 20 Number of dimensions in the system. 1 2d 3d Thermodynamic output style. One Line Multi Line Qt::Horizontal 40 20 0 0 QLayout::SetFixedSize Reset false Use Form Qt::Horizontal 48 26 Generate… Close titleLine moreButton previewText generateButton closeButton resetButton enableFormButton closeButton clicked() LammpsInputDialog close() 451 411 258 243 avogadrolibs-1.100.0/avogadro/qtplugins/licorice/000077500000000000000000000000001474375334400217645ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/licorice/CMakeLists.txt000066400000000000000000000002571474375334400245300ustar00rootroot00000000000000avogadro_plugin(Licorice "Licorice rendering scheme" ScenePlugin licorice.h Licorice licorice.cpp "") target_link_libraries(Licorice PRIVATE Avogadro::Rendering) avogadrolibs-1.100.0/avogadro/qtplugins/licorice/licorice.cpp000066400000000000000000000141471474375334400242700ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "licorice.h" #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using QtGui::Molecule; using QtGui::PluginLayerManager; using Rendering::CylinderGeometry; using Rendering::GeometryNode; using Rendering::GroupNode; using Rendering::SphereGeometry; struct LayerLicorice : Core::LayerData { QWidget* widget; float opacity; LayerLicorice() { widget = nullptr; QSettings settings; opacity = settings.value("licorice/opacity", 1.0).toFloat(); } LayerLicorice(std::string settings) { widget = nullptr; deserialize(settings); } LayerData* clone() final { return new LayerLicorice(*this); } ~LayerLicorice() override { if (widget) widget->deleteLater(); } std::string serialize() final { return std::to_string(opacity); } void deserialize(std::string text) final { std::stringstream ss(text); std::string aux; ss >> aux; opacity = std::stof(aux); } void setupWidget(Licorice* slot) { if (!widget) { widget = new QWidget(qobject_cast(slot->parent())); auto* form = new QFormLayout; // Opacity auto* slider = new QSlider(Qt::Horizontal); slider->setRange(0, 100); slider->setTickInterval(1); slider->setValue(round(opacity * 100)); QObject::connect(slider, &QSlider::valueChanged, slot, &Licorice::setOpacity); form->addRow(QObject::tr("Opacity:"), slider); widget->setLayout(form); } } }; Licorice::Licorice(QObject* p) : ScenePlugin(p) { m_layerManager = PluginLayerManager(m_name); } Licorice::~Licorice() {} void Licorice::process(const Molecule& molecule, Rendering::GroupNode& node) { m_layerManager.load(); // Use a common radius for all spheres and cylinders. float radius(0.2f); float selectedRadius(radius * 2.0f); // Add a sphere node to contain all of the spheres. auto* geometry = new GeometryNode; node.addChild(geometry); auto* spheres = new SphereGeometry; spheres->identifier().molecule = &molecule; spheres->identifier().type = Rendering::AtomType; auto selectedSpheres = new SphereGeometry; selectedSpheres->setOpacity(0.42); auto translucentSpheres = new SphereGeometry; translucentSpheres->setRenderPass(Rendering::TranslucentPass); translucentSpheres->identifier().molecule = &molecule; translucentSpheres->identifier().type = Rendering::AtomType; geometry->addDrawable(spheres); geometry->addDrawable(selectedSpheres); geometry->addDrawable(translucentSpheres); float opacity = 1.0; for (Index i = 0; i < molecule.atomCount(); ++i) { Core::Atom atom = molecule.atom(i); if (!m_layerManager.atomEnabled(i)) { continue; } Vector3ub color = atom.color(); auto* interface = m_layerManager.getSetting(m_layerManager.getLayerID(i)); opacity = interface->opacity; if (opacity < 1.0f) { translucentSpheres->addSphere(atom.position3d().cast(), color, radius, i); translucentSpheres->setOpacity(opacity); } else spheres->addSphere(atom.position3d().cast(), color, radius, i); if (atom.selected()) { color = Vector3ub(0, 0, 255); selectedSpheres->addSphere(atom.position3d().cast(), color, selectedRadius, i); } } auto* cylinders = new CylinderGeometry; cylinders->identifier().molecule = &molecule; cylinders->identifier().type = Rendering::BondType; auto* translucentCylinders = new CylinderGeometry; translucentCylinders->setRenderPass(Rendering::TranslucentPass); translucentCylinders->identifier().molecule = &molecule; translucentCylinders->identifier().type = Rendering::BondType; geometry->addDrawable(cylinders); geometry->addDrawable(translucentCylinders); for (Index i = 0; i < molecule.bondCount(); ++i) { Core::Bond bond = molecule.bond(i); if (!m_layerManager.bondEnabled(bond.atom1().index(), bond.atom2().index())) { continue; } auto* interface1 = m_layerManager.getSetting( m_layerManager.getLayerID(bond.atom1().index())); auto* interface2 = m_layerManager.getSetting( m_layerManager.getLayerID(bond.atom2().index())); bool doOpaque = true; if (interface1->opacity < 1.0f || interface2->opacity < 1.0f) { opacity = std::min(interface1->opacity, interface2->opacity); translucentCylinders->setOpacity(opacity); doOpaque = false; } Vector3f pos1 = bond.atom1().position3d().cast(); Vector3f pos2 = bond.atom2().position3d().cast(); Vector3ub color1 = bond.atom1().color(); Vector3ub color2 = bond.atom2().color(); Vector3f bondVector = pos2 - pos1; float bondLength = bondVector.norm(); bondVector /= bondLength; if (doOpaque) cylinders->addCylinder(pos1, pos2, radius, color1, color2, i); else translucentCylinders->addCylinder(pos1, pos2, radius, color1, color2, i); } } void Licorice::setOpacity(int opacity) { m_opacity = static_cast(opacity) / 100.0f; auto* interface = m_layerManager.getSetting(); if (m_opacity != interface->opacity) { interface->opacity = m_opacity; emit drawablesChanged(); } QSettings settings; settings.setValue("licorice/opacity", m_opacity); } QWidget* Licorice::setupWidget() { auto* interface = m_layerManager.getSetting(); interface->setupWidget(this); return interface->widget; } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/licorice/licorice.h000066400000000000000000000026171474375334400237340ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_LICORICE_H #define AVOGADRO_QTPLUGINS_LICORICE_H #include namespace Avogadro { namespace QtPlugins { /** * @brief Render a molecule in the licorice style. * @author Marcus D. Hanwell */ class Licorice : public QtGui::ScenePlugin { Q_OBJECT public: explicit Licorice(QObject* parent = nullptr); ~Licorice() override; void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; QString name() const override { return tr("Licorice", "stick / licorice rendering"); } QString description() const override { return tr("Render atoms as licorice / sticks."); } DefaultBehavior defaultBehavior() const override { return DefaultBehavior::False; } QWidget* setupWidget() override; bool hasSetupWidget() const override { return true; } public slots: void setOpacity(int opacity); private: std::string m_name = "Licorice"; QWidget* m_setupWidget = nullptr; float m_opacity = 1.0; }; } // end namespace QtPlugins } // end namespace Avogadro #endif // AVOGADRO_QTPLUGINS_LICORICE_H avogadrolibs-1.100.0/avogadro/qtplugins/lineformatinput/000077500000000000000000000000001474375334400234135ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/lineformatinput/CMakeLists.txt000066400000000000000000000003241474375334400261520ustar00rootroot00000000000000avogadro_plugin(LineFormatInput "Enter line formats in a dialog window." ExtensionPlugin lineformatinput.h LineFormatInput "lineformatinput.cpp;lineformatinputdialog.cpp" "lineformatinputdialog.ui" ) avogadrolibs-1.100.0/avogadro/qtplugins/lineformatinput/lineformatinput.cpp000066400000000000000000000100571474375334400273420ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "lineformatinput.h" #include "lineformatinputdialog.h" #include #include #include #include #include #include #include #include using Avogadro::Io::FileFormat; using Avogadro::Io::FileFormatManager; using Avogadro::QtGui::FileFormatDialog; namespace Avogadro::QtPlugins { LineFormatInput::LineFormatInput(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_molecule(nullptr), m_reader(nullptr) { auto* action = new QAction(tr("SMILES…"), this); action->setProperty("menu priority", 800); action->setData("SMILES"); connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.append(action); action = new QAction(tr("InChI…"), this); action->setProperty("menu priority", 810); action->setData("InChI"); connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.append(action); // These are the line formats that we can load -- key is a user-friendly name, // value is the file extension used to identify the file format. m_formats.insert(tr("InChI"), std::string("inchi")); m_formats.insert(tr("SMILES"), std::string("smi")); } LineFormatInput::~LineFormatInput() { delete m_reader; } QList LineFormatInput::actions() const { return m_actions; } QStringList LineFormatInput::menuPath(QAction*) const { return QStringList() << tr("&Build") << tr("&Insert"); } void LineFormatInput::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void LineFormatInput::showDialog() { if (!m_molecule) return; QWidget* parentAsWidget = qobject_cast(parent()); auto* theSender = qobject_cast(sender()); // Create a list of file formats that we can read: QStringList availableFormats; FileFormatManager& ffm = FileFormatManager::instance(); const FileFormat::Operations ops = FileFormat::Read | FileFormat::String; foreach (const QString& ident, m_formats.keys()) { const std::string& ext = m_formats[ident]; if (!ffm.fileFormatsFromFileExtension(ext, ops).empty()) availableFormats.push_back(ident); } if (availableFormats.empty()) { QMessageBox::warning(parentAsWidget, tr("No descriptors found!"), tr("No line format readers found!"), QMessageBox::Ok); return; } // Prompt user for input: LineFormatInputDialog dlg; dlg.setFormats(availableFormats); if (theSender != nullptr) dlg.setCurrentFormat(theSender->data().toString()); dlg.exec(); // check if the reply is empty if (dlg.descriptor().isEmpty()) return; // nothing to do // Resolve any format conflicts: const std::string& ext = m_formats[dlg.format()]; const FileFormat* fmt = FileFormatDialog::findFileFormat( parentAsWidget, tr("Insert Molecule…"), QString("file.%1").arg(QString::fromStdString(ext)), ops); if (fmt == nullptr) { QMessageBox::warning(parentAsWidget, tr("No descriptors found!"), tr("Unable to load requested format reader."), QMessageBox::Ok); return; } m_reader = fmt->newInstance(); m_descriptor = dlg.descriptor().toStdString(); QProgressDialog progDlg(parentAsWidget); progDlg.setModal(true); progDlg.setWindowTitle(tr("Insert Molecule…")); progDlg.setLabelText(tr("Generating 3D molecule…")); progDlg.setRange(0, 0); progDlg.setValue(0); progDlg.show(); QtGui::Molecule newMol; m_reader->readString(m_descriptor, newMol); m_molecule->undoMolecule()->appendMolecule(newMol, "Insert Molecule"); emit requestActiveTool("Manipulator"); dlg.hide(); m_descriptor.clear(); delete m_reader; m_reader = nullptr; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/lineformatinput/lineformatinput.h000066400000000000000000000027751474375334400270170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_LINEFORMATINPUT_H #define AVOGADRO_QTPLUGINS_LINEFORMATINPUT_H #include #include #include namespace Avogadro { namespace Io { class FileFormat; } namespace QtPlugins { /** * @brief Load single-line molecule descriptors through an input dialog. */ class LineFormatInput : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit LineFormatInput(QObject* parent_ = nullptr); ~LineFormatInput() override; QString name() const override { return tr("LineFormatInput"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule*) override; private slots: void showDialog(); private: QList m_actions; /// Maps identifier to extension: QMap m_formats; QtGui::Molecule* m_molecule; Io::FileFormat* m_reader; std::string m_descriptor; }; inline QString LineFormatInput::description() const { return tr("Load single-line molecule descriptors through an input dialog."); } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_LINEFORMATINPUT_H avogadrolibs-1.100.0/avogadro/qtplugins/lineformatinput/lineformatinputdialog.cpp000066400000000000000000000027561474375334400305310ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "lineformatinputdialog.h" #include "ui_lineformatinputdialog.h" #include namespace Avogadro::QtPlugins { LineFormatInputDialog::LineFormatInputDialog(QWidget* aParent) : QDialog(aParent), m_ui(new Ui::LineFormatInputDialog) { m_ui->setupUi(this); } LineFormatInputDialog::~LineFormatInputDialog() { delete m_ui; } void LineFormatInputDialog::setFormats(const QStringList& indents) { m_ui->formats->clear(); m_ui->formats->addItems(indents); QSettings settings; QString lastUsed = settings.value("lineformatinput/lastUsed").toString(); int index = m_ui->formats->findText(lastUsed); if (index >= 0) m_ui->formats->setCurrentIndex(index); } QString LineFormatInputDialog::format() const { return m_ui->formats->currentText(); } void LineFormatInputDialog::setCurrentFormat(const QString& format) { int index = m_ui->formats->findText(format); if (index >= 0) m_ui->formats->setCurrentIndex(index); } QString LineFormatInputDialog::descriptor() const { return m_ui->descriptor->text(); } void LineFormatInputDialog::accept() { QSettings settings; settings.setValue("lineformatinput/lastUsed", format()); QDialog::accept(); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/lineformatinput/lineformatinputdialog.h000066400000000000000000000021121474375334400301600ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_LINEFORMATINPUTDIALOG_H #define AVOGADRO_QTPLUGINS_LINEFORMATINPUTDIALOG_H #include namespace Avogadro { namespace QtPlugins { namespace Ui { class LineFormatInputDialog; } /** * @brief Dialog to prompt a format and descriptor string. */ class LineFormatInputDialog : public QDialog { Q_OBJECT public: explicit LineFormatInputDialog(QWidget* parent = nullptr); ~LineFormatInputDialog() override; void setFormats(const QStringList& indents); QString format() const; void setCurrentFormat(const QString& format); QString descriptor() const; protected slots: void accept() override; private: Ui::LineFormatInputDialog* m_ui; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_LINEFORMATINPUTDIALOG_H avogadrolibs-1.100.0/avogadro/qtplugins/lineformatinput/lineformatinputdialog.ui000066400000000000000000000061721474375334400303600ustar00rootroot00000000000000 Avogadro::QtPlugins::LineFormatInputDialog 0 0 269 123 0 0 Insert Molecule… QFormLayout::ExpandingFieldsGrow Format: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter Descriptor: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter Qt::Horizontal 40 20 Qt::Horizontal QDialogButtonBox::Cancel|QDialogButtonBox::Ok buttonBox accepted() Avogadro::QtPlugins::LineFormatInputDialog accept() 248 254 157 274 buttonBox rejected() Avogadro::QtPlugins::LineFormatInputDialog reject() 316 260 286 274 avogadrolibs-1.100.0/avogadro/qtplugins/manipulator/000077500000000000000000000000001474375334400225265ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/manipulator/CMakeLists.txt000066400000000000000000000005361474375334400252720ustar00rootroot00000000000000set(manipulator_srcs manipulator.cpp ) set(manipulator_uis manipulatewidget.ui ) set(manipulator_rcs manipulator.qrc ) avogadro_plugin(Manipulator "Manipulator" ToolPlugin manipulator.h Manipulator "${manipulator_srcs}" "${manipulator_uis}" "${manipulator_rcs}" ) target_link_libraries(Manipulator PRIVATE Avogadro::QtOpenGL) avogadrolibs-1.100.0/avogadro/qtplugins/manipulator/manipulatewidget.ui000066400000000000000000000162551474375334400264410ustar00rootroot00000000000000 ManipulateWidget 0 0 371 292 Form Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter Å 4 -999.990000000000009 999.990000000000009 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter Å 4 -999.990000000000009 999.990000000000009 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter Å 4 -999.990000000000009 999.990000000000009 X Y Z Translate by: 0 Rotate around: Origin Center of Molecule Center of Selection Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter ° -360.000000000000000 360.000000000000000 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter ° -360.000000000000000 360.000000000000000 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter ° -360.000000000000000 360.000000000000000 X-axis Y-axis Z-axis 0 Move: Selected Atoms Everything Else QDialogButtonBox::Apply|QDialogButtonBox::Reset true Qt::Vertical 20 262 avogadrolibs-1.100.0/avogadro/qtplugins/manipulator/manipulator.cpp000066400000000000000000000260471474375334400255760ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "manipulator.h" #include "ui_manipulatewidget.h" #include #include #include #include #include #include #include #include #include #include #include using Avogadro::QtGui::Molecule; namespace Avogadro::QtPlugins { using QtGui::Molecule; using QtGui::RWAtom; #define ROTATION_SPEED 0.5 class ManipulateWidget : public QWidget, public Ui::ManipulateWidget { public: ManipulateWidget(QWidget* parent = nullptr) : QWidget(parent) { setupUi(this); } }; Manipulator::Manipulator(QObject* parent_) : QtGui::ToolPlugin(parent_), m_activateAction(new QAction(this)), m_molecule(nullptr), m_renderer(nullptr), m_pressedButtons(Qt::NoButton), m_toolWidget(new ManipulateWidget(dynamic_cast(parent_))), m_currentAction(Nothing) { QString shortcut = tr("Ctrl+6", "control-key 6"); m_activateAction->setText(tr("Manipulate")); m_activateAction->setToolTip( tr("Manipulation Tool \t(%1)\n\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n") .arg(shortcut)); setIcon(); connect(m_toolWidget->buttonBox, SIGNAL(clicked(QAbstractButton*)), this, SLOT(buttonClicked(QAbstractButton*))); } Manipulator::~Manipulator() {} void Manipulator::setIcon(bool darkTheme) { if (darkTheme) m_activateAction->setIcon(QIcon(":/icons/manipulator_dark.svg")); else m_activateAction->setIcon(QIcon(":/icons/manipulator_light.svg")); } QWidget* Manipulator::toolWidget() const { return m_toolWidget; } void Manipulator::buttonClicked(QAbstractButton* button) { if (m_toolWidget == nullptr) return; // clear focus from the boxes (they eat up keystrokes) m_toolWidget->xTranslateSpinBox->clearFocus(); m_toolWidget->yTranslateSpinBox->clearFocus(); m_toolWidget->zTranslateSpinBox->clearFocus(); m_toolWidget->xRotateSpinBox->clearFocus(); m_toolWidget->yRotateSpinBox->clearFocus(); m_toolWidget->zRotateSpinBox->clearFocus(); if (m_toolWidget->buttonBox->buttonRole(button) != QDialogButtonBox::ApplyRole) { // reset values m_toolWidget->xTranslateSpinBox->setValue(0.0); m_toolWidget->yTranslateSpinBox->setValue(0.0); m_toolWidget->zTranslateSpinBox->setValue(0.0); m_toolWidget->xRotateSpinBox->setValue(0.0); m_toolWidget->yRotateSpinBox->setValue(0.0); m_toolWidget->zRotateSpinBox->setValue(0.0); return; } bool moveSelected = (m_toolWidget->moveComboBox->currentIndex() == 0); // apply values Vector3 delta(m_toolWidget->xTranslateSpinBox->value(), m_toolWidget->yTranslateSpinBox->value(), m_toolWidget->zTranslateSpinBox->value()); translate(delta, moveSelected); Vector3 rotation(m_toolWidget->xRotateSpinBox->value(), m_toolWidget->yRotateSpinBox->value(), m_toolWidget->zRotateSpinBox->value()); Vector3 center(0.0, 0.0, 0.0); // Check if we're rotating around the origin, the molecule centroid // or the center of selected atoms // == 0 is the default = origin if (m_toolWidget->rotateComboBox->currentIndex() == 1) { // molecule centroid center = m_molecule->molecule().centerOfGeometry(); } else if (m_toolWidget->rotateComboBox->currentIndex() == 2) { // center of selected atoms unsigned long selectedAtomCount = 0; for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (!m_molecule->atomSelected(i)) continue; center += m_molecule->atomPosition3d(i); selectedAtomCount++; } if (selectedAtomCount > 0) center /= selectedAtomCount; } // Settings are in degrees #ifndef DEG_TO_RAD #define DEG_TO_RAD 0.0174532925 #endif rotate(rotation * DEG_TO_RAD, center, moveSelected); m_molecule->emitChanged(Molecule::Atoms | Molecule::Modified); } QUndoCommand* Manipulator::keyPressEvent(QKeyEvent* e) { switch (e->key()) { case Qt::Key_Left: case Qt::Key_H: case Qt::Key_A: translate(Vector3(-0.1, 0.0, 0.0)); e->accept(); break; case Qt::Key_Right: case Qt::Key_L: case Qt::Key_D: translate(Vector3(+0.1, 0.0, 0.0)); e->accept(); break; case Qt::Key_Up: case Qt::Key_K: case Qt::Key_W: translate(Vector3(0.0, +0.1, 0.0)); e->accept(); break; case Qt::Key_Down: case Qt::Key_J: case Qt::Key_S: translate(Vector3(0.0, -0.1, 0.0)); e->accept(); break; default: e->ignore(); } m_molecule->emitChanged(Molecule::Atoms | Molecule::Modified); return nullptr; } QUndoCommand* Manipulator::mousePressEvent(QMouseEvent* e) { if (!m_renderer) return nullptr; updatePressedButtons(e, false); m_lastMousePosition = e->pos(); Vector2f windowPos(e->localPos().x(), e->localPos().y()); m_lastMouse3D = m_renderer->camera().unProject(windowPos); if (m_molecule) { m_molecule->setInteractive(true); } if (m_pressedButtons & Qt::LeftButton) { m_object = m_renderer->hit(e->pos().x(), e->pos().y()); switch (m_object.type) { case Rendering::AtomType: e->accept(); return nullptr; default: break; } } return nullptr; } QUndoCommand* Manipulator::mouseReleaseEvent(QMouseEvent* e) { if (!m_renderer) return nullptr; updatePressedButtons(e, true); if (m_object.type == Rendering::InvalidType) return nullptr; if (m_molecule) { m_molecule->setInteractive(false); } switch (e->button()) { case Qt::LeftButton: case Qt::RightButton: resetObject(); e->accept(); break; default: break; } return nullptr; } QUndoCommand* Manipulator::mouseMoveEvent(QMouseEvent* e) { // if we're dragging through empty space, just return and ignore // (e.g., fall back to the navigate tool) const Core::Molecule* mol = &m_molecule->molecule(); if (mol->isSelectionEmpty() && m_object.type == Rendering::InvalidType) { e->ignore(); return nullptr; } updatePressedButtons(e, false); e->ignore(); Vector2f windowPos(e->localPos().x(), e->localPos().y()); if (mol->isSelectionEmpty() && m_object.type == Rendering::AtomType && m_object.molecule == &m_molecule->molecule()) { // translate single atom position RWAtom atom = m_molecule->atom(m_object.index); Vector3f oldPos(atom.position3d().cast()); Vector3f newPos = m_renderer->camera().unProject(windowPos, oldPos); atom.setPosition3d(newPos.cast()); } else if (!mol->isSelectionEmpty()) { // update all selected atoms Vector3f newPos = m_renderer->camera().unProject(windowPos); Vector3 delta = (newPos - m_lastMouse3D).cast(); if (m_currentAction == Translation) { translate(delta); } else { // get the center of the selected atoms Vector3 centroid(0.0, 0.0, 0.0); unsigned long selectedAtomCount = 0; for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (!m_molecule->atomSelected(i)) continue; centroid += m_molecule->atomPosition3d(i); selectedAtomCount++; } if (selectedAtomCount > 0) centroid /= selectedAtomCount; if (m_currentAction == Rotation) { rotate(delta, centroid); } else if (m_currentAction == ZoomTilt) { tilt(delta, centroid); } } // now that we've moved things, save the position m_lastMouse3D = newPos; } m_molecule->emitChanged(Molecule::Atoms | Molecule::Modified); e->accept(); return nullptr; } void Manipulator::translate(Vector3 delta, bool moveSelected) { for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (moveSelected && !m_molecule->atomSelected(i)) continue; else if (!moveSelected && m_molecule->atomSelected(i)) continue; Vector3 currentPos = m_molecule->atomPosition3d(i); m_molecule->setAtomPosition3d(i, currentPos + delta.cast()); } } void Manipulator::rotate(Vector3 delta, Vector3 centroid, bool moveSelected) { // Rotate the selected atoms about the center // rotate only selected primitives Rendering::Camera* camera = &m_renderer->camera(); Eigen::Vector3d backTransformX = camera->modelView().cast().linear().row(0).transpose().normalized(); Eigen::Vector3d backTransformY = camera->modelView().cast().linear().row(1).transpose().normalized(); Eigen::Projective3d fragmentRotation; fragmentRotation.matrix().setIdentity(); fragmentRotation.translation() = centroid; fragmentRotation.rotate( Eigen::AngleAxisd(delta[1] * ROTATION_SPEED, backTransformX)); fragmentRotation.rotate( Eigen::AngleAxisd(delta[0] * ROTATION_SPEED, backTransformY)); fragmentRotation.translate(-centroid); for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (moveSelected && !m_molecule->atomSelected(i)) continue; else if (!moveSelected && m_molecule->atomSelected(i)) continue; Vector3 currentPos = m_molecule->atomPosition3d(i); m_molecule->setAtomPosition3d( i, (fragmentRotation * currentPos.homogeneous()).head<3>()); } } void Manipulator::tilt(Vector3 delta, Vector3 centroid) { // Rotate the selected atoms about the center // rotate only selected primitives Rendering::Camera* camera = &m_renderer->camera(); Eigen::Vector3d backTransformZ = camera->modelView().cast().linear().row(2).transpose().normalized(); Eigen::Projective3d fragmentRotation; fragmentRotation.matrix().setIdentity(); fragmentRotation.translation() = centroid; fragmentRotation.rotate( Eigen::AngleAxisd(delta[0] * ROTATION_SPEED, backTransformZ)); fragmentRotation.translate(-centroid); for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (!m_molecule->atomSelected(i)) continue; Vector3 currentPos = m_molecule->atomPosition3d(i); m_molecule->setAtomPosition3d( i, (fragmentRotation * currentPos.homogeneous()).head<3>()); } } void Manipulator::updatePressedButtons(QMouseEvent* e, bool release) { if (release) m_pressedButtons &= e->buttons(); else m_pressedButtons |= e->buttons(); // check for modifier keys (e.g., Mac) if (e->buttons() & Qt::LeftButton && e->modifiers() == Qt::NoModifier) { m_currentAction = Translation; } else if (e->buttons() & Qt::MiddleButton || (e->buttons() & Qt::LeftButton && e->modifiers() == Qt::ShiftModifier)) { m_currentAction = ZoomTilt; } else if (e->buttons() & Qt::RightButton || (e->buttons() & Qt::LeftButton && (e->modifiers() == Qt::ControlModifier || e->modifiers() == Qt::MetaModifier))) { m_currentAction = Rotation; } } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/manipulator/manipulator.h000066400000000000000000000054561474375334400252440ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_MANIPULATOR_H #define AVOGADRO_QTPLUGINS_MANIPULATOR_H #include #include #include #include #include // for Qt:: namespace #include namespace Avogadro { namespace QtPlugins { class ManipulateWidget; /** * @class Manipulator manipulator.h * * @brief The Manipulator class manipulates a molecule's geometry. * @author Allison Vacanti */ class Manipulator : public QtGui::ToolPlugin { Q_OBJECT public: explicit Manipulator(QObject* parent_ = nullptr); ~Manipulator() override; QString name() const override { return tr("Manipulate tool"); } QString description() const override { return tr("Manipulate tool"); } unsigned char priority() const override { return 30; } QAction* activateAction() const override { return m_activateAction; } QWidget* toolWidget() const override; void setIcon(bool darkTheme = false) override; void setMolecule(QtGui::Molecule* mol) override { if (mol) m_molecule = mol->undoMolecule(); } void setEditMolecule(QtGui::RWMolecule* mol) override { m_molecule = mol; } void setGLRenderer(Rendering::GLRenderer* renderer) override { m_renderer = renderer; } QUndoCommand* mousePressEvent(QMouseEvent* e) override; QUndoCommand* mouseReleaseEvent(QMouseEvent* e) override; QUndoCommand* mouseMoveEvent(QMouseEvent* e) override; QUndoCommand* keyPressEvent(QKeyEvent* e) override; public slots: void buttonClicked(QAbstractButton* button); private: /** * Update the currently pressed buttons, accounting for modifier keys. * \todo Account for modifier keys. */ void updatePressedButtons(QMouseEvent*, bool release); void resetObject() { m_object = Rendering::Identifier(); } void translate(Vector3 delta, bool moveSelected = true); void rotate(Vector3 delta, Vector3 centroid, bool moveSelected = true); void tilt(Vector3 delta, Vector3 centroid); QAction* m_activateAction; QtGui::RWMolecule* m_molecule; Rendering::GLRenderer* m_renderer; Rendering::Identifier m_object; QPoint m_lastMousePosition; Vector3f m_lastMouse3D; Qt::MouseButtons m_pressedButtons; ManipulateWidget* m_toolWidget; enum ToolAction { Nothing = 0, Rotation, Translation, ZoomTilt, Zoom }; ToolAction m_currentAction; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTOPENGL_MANIPULATOR_H avogadrolibs-1.100.0/avogadro/qtplugins/manipulator/manipulator.qrc000066400000000000000000000002231474375334400255650ustar00rootroot00000000000000 manipulator_light.svg manipulator_dark.svg avogadrolibs-1.100.0/avogadro/qtplugins/manipulator/manipulator_dark.svg000066400000000000000000000072041474375334400266060ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/manipulator/manipulator_light.svg000066400000000000000000000166231474375334400270010ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/measuretool/000077500000000000000000000000001474375334400225325ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/measuretool/CMakeLists.txt000066400000000000000000000005111474375334400252670ustar00rootroot00000000000000set(measuretool_srcs measuretool.cpp ) set(measuretool_uis ) set(measuretool_rcs measuretool.qrc ) avogadro_plugin(MeasureTool "Measure tool" ToolPlugin measuretool.h MeasureTool "${measuretool_srcs}" "${measuretool_uis}" "${measuretool_rcs}" ) target_link_libraries(MeasureTool PRIVATE Avogadro::QtOpenGL) avogadrolibs-1.100.0/avogadro/qtplugins/measuretool/measure_dark.svg000066400000000000000000000245301474375334400257210ustar00rootroot00000000000000 avogadrolibs-1.100.0/avogadro/qtplugins/measuretool/measure_light.svg000066400000000000000000000243211474375334400261050ustar00rootroot00000000000000 avogadrolibs-1.100.0/avogadro/qtplugins/measuretool/measuretool.cpp000066400000000000000000000207361474375334400256050ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "measuretool.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::Core::Elements; using Avogadro::Rendering::GeometryNode; using Avogadro::Rendering::GroupNode; using Avogadro::Rendering::Identifier; using Avogadro::Rendering::TextLabel2D; using Avogadro::Rendering::TextLabel3D; using Avogadro::Rendering::TextProperties; namespace Avogadro::QtPlugins { MeasureTool::MeasureTool(QObject* parent_) : QtGui::ToolPlugin(parent_), m_activateAction(new QAction(this)), m_molecule(nullptr), m_rwMolecule(nullptr), m_renderer(nullptr) { QString shortcut = tr("Ctrl+8", "control-key 8"); m_activateAction->setText(tr("Measure")); m_activateAction->setToolTip( tr("Measure Tool \t(%1)\n\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements.") .arg(shortcut)); setIcon(); } MeasureTool::~MeasureTool() {} void MeasureTool::setIcon(bool darkTheme) { if (darkTheme) m_activateAction->setIcon(QIcon(":/icons/measure_dark.svg")); else m_activateAction->setIcon(QIcon(":/icons/measure_light.svg")); } QWidget* MeasureTool::toolWidget() const { return nullptr; } QUndoCommand* MeasureTool::mousePressEvent(QMouseEvent* e) { if (e->button() != Qt::LeftButton || !m_renderer) return nullptr; Identifier hit = m_renderer->hit(e->pos().x(), e->pos().y()); // If an atom is clicked, accept the event, but don't add it to the atom list // until the button is released (this way the user can cancel the click by // moving off the atom, and the click won't get passed to the default tool). if (hit.type == Rendering::AtomType) e->accept(); return nullptr; } QUndoCommand* MeasureTool::mouseReleaseEvent(QMouseEvent* e) { // If the click is released on an atom, add it to the list if (e->button() != Qt::LeftButton || !m_renderer) return nullptr; Identifier hit = m_renderer->hit(e->pos().x(), e->pos().y()); // Now add the atom on release. if (hit.type == Rendering::AtomType) { if (toggleAtom(hit)) emit drawablesChanged(); e->accept(); } return nullptr; } QUndoCommand* MeasureTool::mouseDoubleClickEvent(QMouseEvent* e) { // Reset the atom list if (e->button() == Qt::LeftButton && !m_atoms.isEmpty()) { m_atoms.clear(); emit drawablesChanged(); e->accept(); } return nullptr; } template void MeasureTool::createLabels(T* mol, GeometryNode* geo, QVector& positions) { TextProperties atomLabelProp; atomLabelProp.setFontFamily(TextProperties::SansSerif); atomLabelProp.setAlign(TextProperties::HCenter, TextProperties::VCenter); for (int i = 0; i < m_atoms.size(); ++i) { Identifier& ident = m_atoms[i]; Q_ASSERT(ident.type == Rendering::AtomType); Q_ASSERT(ident.molecule != nullptr); typename T::AtomType atom = mol->atom(ident.index); Q_ASSERT(atom.isValid()); unsigned char atomicNumber(atom.atomicNumber()); positions[i] = atom.position3d(); const unsigned char* color = Elements::color(atomicNumber); atomLabelProp.setColorRgb(contrastingColor(Vector3ub(color)).data()); auto* label = new TextLabel3D; label->setText(QString("#%1").arg(i + 1).toStdString()); label->setTextProperties(atomLabelProp); label->setAnchor(positions[i].cast()); label->setRadius( static_cast(Elements::radiusCovalent(atomicNumber)) + 0.1f); geo->addDrawable(label); } } void MeasureTool::draw(Rendering::GroupNode& node) { if (m_atoms.size() == 0) return; auto* geo = new GeometryNode; node.addChild(geo); // Add labels, extract positions QVector positions(m_atoms.size(), Vector3()); if (m_molecule) createLabels(m_molecule, geo, positions); else if (m_rwMolecule) createLabels(m_rwMolecule, geo, positions); // Calculate angles and distances Vector3 v1; Vector3 v2; Vector3 v3; Real v1Norm = -1.f; Real v2Norm = -1.f; Real v3Norm = -1.f; switch (m_atoms.size()) { case 4: v3 = positions[3] - positions[2]; v3Norm = v3.norm(); [[fallthrough]]; case 3: v2 = positions[2] - positions[1]; v2Norm = v2.norm(); [[fallthrough]]; case 2: v1 = positions[1] - positions[0]; v1Norm = v1.norm(); [[fallthrough]]; default: break; } QString overlayText; float angle23 = 361.f; float angle12 = 361.f; QString dihedralLabel = tr("Dihedral:"); QString angleLabel = tr("Angle:"); QString distanceLabel = tr("Distance:"); // Use the longest label size to determine the field width. Negate it to // indicate left-alignment. int labelWidth = -std::max(std::max(dihedralLabel.size(), angleLabel.size()), distanceLabel.size()); switch (m_atoms.size()) { case 4: overlayText += QString("%1 %L2\n") .arg(tr("Dihedral:"), labelWidth) .arg(tr("%L1°").arg(dihedralAngle(v1, v2, v3), 9, 'f', 3), 9); angle23 = bondAngle(v2, v3); // fall through case 3: angle12 = bondAngle(v1, v2); overlayText += QString("%1 %L2 %L3\n") .arg(tr("Angles:"), labelWidth) .arg(tr("%L1°").arg(angle12, 9, 'f', 3), 9) .arg(angle23 < 360.f ? tr("%L1°").arg(angle23, 9, 'f', 3) : QString(), 10); // fall through case 2: overlayText += QString("%1 %L2%L3%L4") .arg(tr("Distance:"), labelWidth) .arg(tr("%L1 Å").arg(v1Norm, 9, 'f', 3), 9) .arg(v2Norm >= 0.f ? tr("%L1 Å").arg(v2Norm, 9, 'f', 3) : QString(), 9) .arg(v3Norm >= 0.f ? tr("%L1 Å").arg(v3Norm, 9, 'f', 3) : QString(), 9); default: break; } if (overlayText.isEmpty()) return; TextProperties overlayTProp; overlayTProp.setFontFamily(TextProperties::Mono); Vector3ub color(64, 255, 220); if (m_renderer) { auto backgroundColor = m_renderer->scene().backgroundColor(); color = contrastingColor( Vector3ub(backgroundColor[0], backgroundColor[1], backgroundColor[2])); } overlayTProp.setColorRgb(color[0], color[1], color[2]); overlayTProp.setAlign(TextProperties::HLeft, TextProperties::VBottom); auto* label = new TextLabel2D; label->setText(overlayText.toStdString()); label->setTextProperties(overlayTProp); label->setRenderPass(Rendering::Overlay2DPass); label->setAnchor(Vector2i(10, 10)); geo->addDrawable(label); } inline Vector3ub MeasureTool::contrastingColor(const Vector3ub& rgb) const { // If we're far 'enough' (+/-32) away from 128, just invert the component. // If we're close to 128, inverting the color will end up too close to the // input -- adjust the component before inverting. const unsigned char minVal = 32; const unsigned char maxVal = 223; Vector3ub result; for (size_t i = 0; i < 3; ++i) { unsigned char input = rgb[i]; if (input > 160 || input < 96) result[i] = static_cast(255 - input); else result[i] = static_cast(255 - (input / 4)); // Clamp to 32-->223 to prevent pure black/white result[i] = std::min(maxVal, std::max(minVal, result[i])); } return result; } bool MeasureTool::toggleAtom(const Rendering::Identifier& atom) { int ind = m_atoms.indexOf(atom); if (ind >= 0) { m_atoms.remove(ind); return true; } if (m_atoms.size() >= 4) return false; m_atoms.push_back(atom); return true; } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/measuretool/measuretool.h000066400000000000000000000051451474375334400252470ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_MEASURETOOL_H #define AVOGADRO_QTPLUGINS_MEASURETOOL_H #include #include #include #include #include namespace Avogadro { namespace QtPlugins { /** * @brief MeasureTool displays distances and angles between selected atoms. * * Based on the Avogadro 1.x implementation by Donald Ephraim Curtis and Marcus * D. Hanwell. */ class MeasureTool : public QtGui::ToolPlugin { Q_OBJECT public: explicit MeasureTool(QObject* parent_ = nullptr); ~MeasureTool() override; QString name() const override { return tr("Measure tool"); } QString description() const override { return tr("Measure tool"); } unsigned char priority() const override { return 60; } QAction* activateAction() const override { return m_activateAction; } QWidget* toolWidget() const override; void setIcon(bool darkTheme = false) override; void setMolecule(QtGui::Molecule*) override; void setEditMolecule(QtGui::RWMolecule*) override; void setGLRenderer(Rendering::GLRenderer* renderer) override; QUndoCommand* mousePressEvent(QMouseEvent* e) override; QUndoCommand* mouseReleaseEvent(QMouseEvent* e) override; QUndoCommand* mouseDoubleClickEvent(QMouseEvent* e) override; void draw(Rendering::GroupNode& node) override; private: Vector3ub contrastingColor(const Vector3ub& rgb) const; bool toggleAtom(const Rendering::Identifier& atom); template void createLabels(T* mol, Rendering::GeometryNode* geo, QVector& positions); QAction* m_activateAction; QtGui::Molecule* m_molecule; QtGui::RWMolecule* m_rwMolecule; Rendering::GLRenderer* m_renderer; QVector m_atoms; }; inline void MeasureTool::setMolecule(QtGui::Molecule* mol) { if (m_molecule != mol) { m_atoms.clear(); m_molecule = mol; m_rwMolecule = nullptr; } } inline void MeasureTool::setEditMolecule(QtGui::RWMolecule* mol) { if (m_rwMolecule != mol) { m_atoms.clear(); m_rwMolecule = mol; m_molecule = nullptr; } } inline void MeasureTool::setGLRenderer(Rendering::GLRenderer* renderer) { m_renderer = renderer; } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_MEASURETOOL_H avogadrolibs-1.100.0/avogadro/qtplugins/measuretool/measuretool.qrc000066400000000000000000000002131474375334400255740ustar00rootroot00000000000000 measure_light.svg measure_dark.svg avogadrolibs-1.100.0/avogadro/qtplugins/meshes/000077500000000000000000000000001474375334400214575ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/meshes/CMakeLists.txt000066400000000000000000000002321474375334400242140ustar00rootroot00000000000000avogadro_plugin(Meshes "Mesh rendering" ScenePlugin meshes.h Meshes meshes.cpp "") target_link_libraries(Meshes PRIVATE Avogadro::Rendering) avogadrolibs-1.100.0/avogadro/qtplugins/meshes/meshes.cpp000066400000000000000000000133641474375334400234560ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "meshes.h" #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using Core::Mesh; using Rendering::GeometryNode; using Rendering::GroupNode; using Rendering::MeshGeometry; Meshes::Meshes(QObject* p) : ScenePlugin(p), m_setupWidget(nullptr) { m_layerManager = QtGui::PluginLayerManager(m_name); QSettings settings; // out of 255 m_opacity = settings.value("meshes/opacity", 150).toUInt(); auto color = settings.value("meshes/color1", QColor(Qt::red)).value(); m_color1[0] = static_cast(color.red()); m_color1[1] = static_cast(color.green()); m_color1[2] = static_cast(color.blue()); color = settings.value("meshes/color2", QColor(Qt::blue)).value(); m_color2[0] = static_cast(color.red()); m_color2[1] = static_cast(color.green()); m_color2[2] = static_cast(color.blue()); } Meshes::~Meshes() {} // Generator for std::generate call below: namespace { struct Sequence { Sequence() : i(0) {} unsigned int operator()() { return i++; } void reset() { i = 0; } unsigned int i; }; } // namespace void Meshes::process(const QtGui::Molecule& mol, GroupNode& node) { if (mol.meshCount()) { auto* geometry = new GeometryNode; node.addChild(geometry); // Handle the first mesh const Mesh* mesh = mol.mesh(0); Core::Array triangles = mesh->triangles(); bool hasColors = (mesh->colors().size() != 0); auto* mesh1 = new MeshGeometry; geometry->addDrawable(mesh1); mesh1->setOpacity(m_opacity); if (hasColors) { auto colors = mesh->colors(); Core::Array colorsRGB(colors.size()); for (size_t i = 0; i < colors.size(); i++) colorsRGB[i] = Vector3ub(static_cast(colors[i].red() * 255), static_cast(colors[i].green() * 255), static_cast(colors[i].blue() * 255)); mesh1->addVertices(mesh->vertices(), mesh->normals(), colorsRGB); } else { mesh1->setColor(m_color1); mesh1->addVertices(mesh->vertices(), mesh->normals()); } // Add the triangles for the first mesh for (size_t i = 0; i < triangles.size(); ++i) { mesh1->addTriangle(triangles[i][0], triangles[i][1], triangles[i][2]); } mesh1->setRenderPass(m_opacity == 255 ? Rendering::SolidPass : Rendering::TranslucentPass); // Handle the second mesh if present if (mol.meshCount() >= 2) { auto* mesh2 = new MeshGeometry; geometry->addDrawable(mesh2); mesh = mol.mesh(1); // Retrieve the second mesh’s triangles Core::Array triangles2 = mesh->triangles(); mesh2->setColor(m_color2); mesh2->setOpacity(m_opacity); mesh2->addVertices(mesh->vertices(), mesh->normals()); // Add the correct triangles for the second mesh for (size_t i = 0; i < triangles2.size(); ++i) { mesh2->addTriangle(triangles2[i][0], triangles2[i][1], triangles2[i][2]); } mesh2->setRenderPass(m_opacity == 255 ? Rendering::SolidPass : Rendering::TranslucentPass); } } } void Meshes::setOpacity(int opacity) { m_opacity = opacity; emit drawablesChanged(); QSettings settings; settings.setValue("meshes/opacity", m_opacity); } void Meshes::setColor1(const QColor& color) { m_color1[0] = static_cast(color.red()); m_color1[1] = static_cast(color.green()); m_color1[2] = static_cast(color.blue()); emit drawablesChanged(); QSettings settings; settings.setValue("meshes/color1", color); } void Meshes::setColor2(const QColor& color) { m_color2[0] = static_cast(color.red()); m_color2[1] = static_cast(color.green()); m_color2[2] = static_cast(color.blue()); emit drawablesChanged(); QSettings settings; settings.setValue("meshes/color2", color); } QWidget* Meshes::setupWidget() { if (!m_setupWidget) { m_setupWidget = new QWidget(qobject_cast(parent())); auto* v = new QVBoxLayout; // Opacity auto* slide = new QSlider(Qt::Horizontal); slide->setRange(0, 255); slide->setTickInterval(5); slide->setValue(m_opacity); connect(slide, SIGNAL(valueChanged(int)), SLOT(setOpacity(int))); auto* form = new QFormLayout; form->addRow(tr("Opacity:"), slide); auto* color1 = new QtGui::ColorButton; color1->setColor(QColor(m_color1[0], m_color1[1], m_color1[2])); connect(color1, SIGNAL(colorChanged(const QColor&)), SLOT(setColor1(const QColor&))); form->addRow(tr("Color:"), color1); auto* color2 = new QtGui::ColorButton; color2->setColor(QColor(m_color2[0], m_color2[1], m_color2[2])); connect(color2, SIGNAL(colorChanged(const QColor&)), SLOT(setColor2(const QColor&))); form->addRow(tr("Color:"), color2); v->addLayout(form); v->addStretch(1); m_setupWidget->setLayout(v); } return m_setupWidget; } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/meshes/meshes.h000066400000000000000000000027041474375334400231170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_MESHES_H #define AVOGADRO_QTPLUGINS_MESHES_H #include #include namespace Avogadro { namespace QtPlugins { /** * @brief Render one or more triangular meshes. * @author Marcus D. Hanwell */ class Meshes : public QtGui::ScenePlugin { Q_OBJECT public: explicit Meshes(QObject* parent = nullptr); ~Meshes() override; void process(const QtGui::Molecule& mol, Rendering::GroupNode& node) override; QString name() const override { return tr("Meshes"); } QString description() const override { return tr("Render polygon meshes."); } QWidget* setupWidget() override; bool hasSetupWidget() const override { return true; } DefaultBehavior defaultBehavior() const override { return DefaultBehavior::False; } private slots: void setColor1(const QColor& color); void setColor2(const QColor& color); void setOpacity(int opacity); private: std::string m_name = "Meshes"; QWidget* m_setupWidget; unsigned char m_opacity; Vector3ub m_color1; Vector3ub m_color2; }; } // end namespace QtPlugins } // end namespace Avogadro #endif // AVOGADRO_QTPLUGINS_MESHES_H avogadrolibs-1.100.0/avogadro/qtplugins/molecularproperties/000077500000000000000000000000001474375334400242735ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/molecularproperties/CMakeLists.txt000066400000000000000000000010221474375334400270260ustar00rootroot00000000000000set(molecularproperties_srcs molecularproperties.cpp molecularmodel.cpp molecularview.cpp ) avogadro_plugin(MolecularProperties "Show a window with basic molecular properties." ExtensionPlugin molecularproperties.h MolecularProperties "${molecularproperties_srcs}" ) # to fetch the molecule name from PubChem target_link_libraries(MolecularProperties PRIVATE Qt::Network) if(WIN32) # for https support target_link_libraries(MolecularProperties PRIVATE OpenSSL::SSL OpenSSL::Crypto OpenSSL::applink) endif() avogadrolibs-1.100.0/avogadro/qtplugins/molecularproperties/molecularmodel.cpp000066400000000000000000000374461474375334400300210ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "molecularmodel.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro { using Avogadro::Core::BasisSet; using Avogadro::Core::GaussianSet; using Avogadro::QtGui::Molecule; using QtGui::Molecule; // CODATA 2022 // https://physics.nist.gov/cgi-bin/cuu/Value?hrev #define AU_TO_EV 27.211386245981 MolecularModel::MolecularModel(QObject* parent) : QAbstractTableModel(parent), m_molecule(nullptr) { m_network = new QNetworkAccessManager(this); connect(m_network, SIGNAL(finished(QNetworkReply*)), this, SLOT(updateNameReady(QNetworkReply*))); } void MolecularModel::setMolecule(QtGui::Molecule* molecule) { m_molecule = molecule; // check if it has a pre-defined name if (molecule) { if (m_molecule->data("name").toString().empty()) m_autoName = true; else m_autoName = false; m_name = QString::fromStdString(molecule->data("name").toString()); } // make sure we know if the molecule changed connect(m_molecule, &QtGui::Molecule::changed, this, &MolecularModel::updateTable); updateTable(QtGui::Molecule::Added); } QString MolecularModel::name() const { if (!m_molecule || m_molecule->atomCount() == 0) return m_name; // empty // if we have a defined name // or we're not ready to update // then return the current name if (!m_autoName || !m_nameUpdateNeeded || m_nameRequestPending) return m_name; // okay, kick off the update m_name = tr("(pending)", "asking server for molecule name"); m_nameRequestPending = true; std::string smiles; Io::FileFormatManager::instance().writeString(*m_molecule, smiles, "smi"); QString smilesString = QString::fromStdString(smiles); smilesString.remove(QRegularExpression("\\s+.*")); QString requestURL = QString("https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/" + QUrl::toPercentEncoding(smilesString) + "/json"); m_network->get(QNetworkRequest(QUrl(requestURL))); // don't update again until we're ready - 5 seconds QTimer::singleShot(5000, this, SLOT(canUpdateName())); return m_name; } void MolecularModel::canUpdateName() { m_nameRequestPending = false; } void MolecularModel::updateNameReady(QNetworkReply* reply) { // finished a request, don't need this until next modification m_nameUpdateNeeded = false; // Read in all the data if (!reply->isReadable()) { reply->deleteLater(); m_name = tr("unknown molecule"); return; } // check if the data came through QByteArray data = reply->readAll(); if (data.contains("Error report") || data.contains("

")) { reply->deleteLater(); m_name = tr("unknown molecule"); return; } // parse the JSON // https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/smiles/…/json // PC_Compounds[0].props // iterate // get "urn" / "name" == "Markup" and "Preferred" // .. get "value" / "sval" QJsonDocument doc = QJsonDocument::fromJson(data); QJsonObject obj = doc.object(); QJsonArray array = obj["PC_Compounds"].toArray(); if (array.isEmpty()) { reply->deleteLater(); m_name = tr("unknown molecule"); return; } obj = array.first().toObject(); array = obj["props"].toArray(); // props is an array of objects for (const QJsonValue& value : array) { obj = value.toObject(); QJsonObject urn = obj["urn"].toObject(); if (urn["name"].toString() == "Markup") { // HTML version for dialog QJsonObject nameValue = obj["value"].toObject(); m_name = nameValue["sval"].toString(); } else if (urn["name"].toString() == "Preferred") { // save this text version for files and copy/paste QJsonObject nameValue = obj["value"].toObject(); m_molecule->setData("name", nameValue["sval"].toString().toStdString()); m_name = nameValue["sval"].toString(); } } emit dataChanged(index(Name, 0), index(Name, 0)); reply->deleteLater(); } int MolecularModel::rowCount(const QModelIndex& parent) const { Q_UNUSED(parent); if (!m_molecule) return 0; return m_propertiesCache.size(); } int MolecularModel::columnCount(const QModelIndex& parent) const { Q_UNUSED(parent); return 1; // values } QString formatFormula(Molecule* molecule) { QString formula = QString::fromStdString(molecule->formula()); QRegularExpression digitParser("(\\d+)"); QRegularExpressionMatchIterator i = digitParser.globalMatch(formula); unsigned int offset = 0; while (i.hasNext()) { const QRegularExpressionMatch match = i.next(); QString digits = match.captured(1); formula.replace(match.capturedStart(1) + offset, digits.size(), QString("%1").arg(digits)); offset += 11; // length of ... } // add total charge as a superscript int charge = molecule->totalCharge(); if (charge < 0) formula += QString("%1").arg(charge); else if (charge > 0) formula += QString("+%1").arg(charge); // add doublet or triplet for spin multiplicity as radical dot int spinMultiplicity = molecule->totalSpinMultiplicity(); if (spinMultiplicity == 2) formula += "•"; else if (spinMultiplicity == 3) formula += "••"; return formula; } QString formatPointGroup(std::string pointgroup) { // first character is in capital // then everything else is in subscript using ... QString formatted = QString::fromStdString(pointgroup); QString output = formatted.at(0).toUpper(); output += QString("%1").arg(formatted.mid(1)); return output; } // Qt calls this for multiple "roles" across row / columns in the index // we also combine multiple types into this class, so lots of special cases QVariant MolecularModel::data(const QModelIndex& index, int role) const { if (!index.isValid() || m_molecule == nullptr) return QVariant(); int row = index.row(); int col = index.column(); // Simple lambda to convert QFlags to variant as in Qt 6 this needs help. auto toVariant = [&](auto flags) { return static_cast(flags); }; // handle text alignments if (role == Qt::TextAlignmentRole) { return toVariant(Qt::AlignRight); } if (role != Qt::UserRole && role != Qt::DisplayRole && role != Qt::EditRole) return QVariant(); const auto map = m_propertiesCache; auto it = map.begin(); switch (row) { case 0: return name(); case 1: return m_molecule->mass(); case 2: return formatFormula(m_molecule); case 3: return QVariant::fromValue(m_molecule->atomCount()); case 4: return QVariant::fromValue(m_molecule->bondCount()); } std::advance(it, row); auto key = it->first; if (key == " 6coordinateSets") return QVariant::fromValue(m_molecule->coordinate3dCount()); else if (key == " 7residues") return QVariant::fromValue(m_molecule->residueCount()); else if (key == " 9totalCharge") return QVariant::fromValue(static_cast(m_molecule->totalCharge())); else if (key == " 9totalSpinMultiplicity") return QVariant::fromValue( static_cast(m_molecule->totalSpinMultiplicity())); else if (key == "pointgroup") return formatPointGroup(it->second.toString()); return QString::fromStdString(it->second.toString()); } QVariant MolecularModel::headerData(int section, Qt::Orientation orientation, int role) const { // Simple lambda to convert QFlags to variant as in Qt 6 this needs help. auto toVariant = [&](auto flags) { return static_cast(flags); }; // handle text alignments if (role == Qt::TextAlignmentRole) { if (orientation == Qt::Vertical) { return toVariant(Qt::AlignLeft); } return toVariant(Qt::AlignHCenter); } if (role != Qt::DisplayRole) return QVariant(); if (orientation == Qt::Horizontal) { return tr("Property"); } else if (orientation == Qt::Vertical) { const auto map = m_propertiesCache; auto it = map.begin(); std::advance(it, section); if (it->first == " 1name") return tr("Molecule Name"); else if (it->first == " 2mass") return tr("Molecular Mass (g/mol)"); else if (it->first == " 3formula") return tr("Chemical Formula"); else if (it->first == " 4atoms") return tr("Number of Atoms"); else if (it->first == " 5bonds") return tr("Number of Bonds"); else if (it->first == " 6coordinateSets") return tr("Coordinate Sets"); else if (it->first == " 7residues") return tr("Number of Residues"); else if (it->first == " 8chains") return tr("Number of Chains"); else if (it->first == " 9totalCharge") return tr("Net Charge"); else if (it->first == " 9totalSpinMultiplicity") return tr("Net Spin Multiplicity"); else if (it->first == "dipoleMoment") return tr("Dipole Moment (Debye)"); else if (it->first == "homoEnergy") return tr("HOMO Energy (eV)", "highest occupied molecular orbital"); else if (it->first == "lumoEnergy") return tr("LUMO Energy (eV)", "lowest unoccupied molecular orbital"); else if (it->first == "somoEnergy") return tr("SOMO Energy (eV)", "singly-occupied molecular orbital"); else if (it->first == "totalEnergy") return tr("Total Energy (Hartree)", "total electronic energy in Hartrees"); else if (it->first == "zpe") return tr("Zero Point Energy (kcal/mol)", "zero point vibrational energy"); else if (it->first == "enthalpy") return tr("Enthalpy (kcal/mol)"); else if (it->first == "entropy") return tr("Entropy (kcal/mol•K)"); else if (it->first == "gibbs") return tr("Gibbs Free Energy (kcal/mol)"); else if (it->first == "pointgroup") return tr("Point Group", "point group symmetry"); else if (it != map.end()) return QString::fromStdString(it->first); return QVariant(); } else // row headers return QVariant(); return QVariant(); } Qt::ItemFlags MolecularModel::flags(const QModelIndex& index) const { if (!index.isValid()) return Qt::ItemIsEnabled; // return QAbstractItemModel::flags(index) | Qt::ItemIsEditable // for the types and columns that can be edited auto editable = Qt::ItemIsEnabled | Qt::ItemIsSelectable | Qt::ItemIsEditable; int row = index.row(); if (row == 0) // name return editable; const auto map = m_propertiesCache; auto it = map.begin(); std::advance(it, row); auto key = it->first; if (key == " 9totalCharge" || key == " 9totalSpinMultiplicity") return editable; return QAbstractItemModel::flags(index); } bool MolecularModel::setData(const QModelIndex& index, const QVariant& value, int role) { if (!index.isValid()) return false; if (role != Qt::EditRole) return false; int row = index.row(); if (row == 0) { // name should always be the first row m_name = value.toString(); m_autoName = false; m_molecule->setData("name", m_name.toStdString()); emit dataChanged(index, index); return true; } const auto map = m_propertiesCache; auto it = map.begin(); std::advance(it, row); auto key = it->first; if (key == " 9totalCharge") { m_molecule->setData("totalCharge", value.toInt()); emit dataChanged(index, index); return true; } else if (key == " 9totalSpinMultiplicity") { int spin = value.toInt(); if (spin < 1) return false; m_molecule->setData("totalSpinMultiplicity", value.toInt()); emit dataChanged(index, index); return true; } return false; } void MolecularModel::updateTable(unsigned int flags) { // cache all the properties m_propertiesCache.clear(); if (m_molecule == nullptr) return; m_nameUpdateNeeded = true; // we use internal key names here and // update the display names in the headerData method m_propertiesCache.setValue(" 1name", name()); m_propertiesCache.setValue(" 2mass", m_molecule->mass()); m_propertiesCache.setValue(" 3formula", formatFormula(m_molecule)); m_propertiesCache.setValue(" 4atoms", m_molecule->atomCount()); m_propertiesCache.setValue(" 5bonds", m_molecule->bondCount()); if (m_molecule->coordinate3dCount() > 0) m_propertiesCache.setValue(" 6coordinateSets", m_molecule->coordinate3dCount()); if (m_molecule->residueCount() > 0) { m_propertiesCache.setValue(" 7residues", m_molecule->residueCount()); // figure out if we have multiple chains unsigned int chainCount = 0; unsigned int offset = 0; for (Index i = 0; i < m_molecule->residueCount(); ++i) { char chainId = m_molecule->residue(i).chainId(); if (chainId >= 'A' && chainId <= 'Z') offset = chainId - 'A'; else if (chainId >= 'a' && chainId <= 'z') offset = chainId - 'a'; else if (chainId >= '0' && chainId <= '9') offset = chainId - '0' + 15; // starts at 'P' chainCount = std::max(chainCount, offset); } m_propertiesCache.setValue(" 8chains", chainCount); } m_propertiesCache.setValue(" 9totalCharge", static_cast(m_molecule->totalCharge())); m_propertiesCache.setValue( " 9totalSpinMultiplicity", static_cast(m_molecule->totalSpinMultiplicity())); if (m_molecule->hasData("dipoleMoment")) { auto dipole = m_molecule->data("dipoleMoment").toVector3(); QString moment = QString::number(dipole.norm(), 'f', 3); m_propertiesCache.setValue("dipoleMoment", moment.toStdString()); } // TODO check for homo, lumo, or somo energies const auto* basis = m_molecule->basisSet(); const GaussianSet* gaussianSet = dynamic_cast(basis); if (gaussianSet != nullptr && gaussianSet->scfType() == Core::Rhf) { unsigned int homo = gaussianSet->homo(); unsigned int lumo = gaussianSet->lumo(); const auto moEnergies = gaussianSet->moEnergy(); if (moEnergies.size() > homo) { m_propertiesCache.setValue("homoEnergy", moEnergies[homo] * AU_TO_EV); } // look for the lumo if there's a degenerate HOMO const double threshold = 0.01 / AU_TO_EV; // 0.01 eV minimal separation while (moEnergies.size() > lumo && std::abs(moEnergies[lumo] - moEnergies[homo]) < threshold) { lumo += 1; } if (moEnergies.size() > lumo) m_propertiesCache.setValue("lumoEnergy", moEnergies[lumo] * AU_TO_EV); } // m_propertiesCache.setValue("somoEnergy", energy); // ignore potentially duplicate properties const auto& properties = m_molecule->dataMap(); for (const auto& key : properties.names()) { if (key == "formula" || key == "name" || key == "fileName" || key == "energies" || key == "totalCharge" || key == "totalSpinMultiplicity") continue; // skip these if (properties.value(key).toString().empty()) continue; // don't bother with an empty value m_propertiesCache.setValue(key, properties.value(key)); } if (flags & Molecule::Added || flags & Molecule::Removed) { // tear it down and rebuild the model beginResetModel(); endResetModel(); } else { // we can just update the current data emit dataChanged( QAbstractItemModel::createIndex(0, 0), QAbstractItemModel::createIndex(rowCount(), columnCount())); } } } // end namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/molecularproperties/molecularmodel.h000066400000000000000000000035761474375334400274630ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef MOLECULARMODEL_H #define MOLECULARMODEL_H #include #include #include #include class QNetworkAccessManager; class QNetworkReply; #include #include namespace Avogadro { namespace QtGui { class Molecule; } enum FixedRowType { Name = 0, Mass, Formula, Atoms, Bonds // these are the fixed rows }; class MolecularModel : public QAbstractTableModel { Q_OBJECT public slots: void updateTable(unsigned int flags); void updateNameReady(QNetworkReply* reply); // reply from network void canUpdateName(); // don't do it too often public: explicit MolecularModel(QObject* parent = 0); int rowCount(const QModelIndex& parent = QModelIndex()) const; int columnCount(const QModelIndex& parent = QModelIndex()) const; QVariant data(const QModelIndex& index, int role) const; Qt::ItemFlags flags(const QModelIndex& index) const; bool setData(const QModelIndex& index, const QVariant& value, int role = Qt::EditRole); QVariant headerData(int section, Qt::Orientation orientation, int role = Qt::DisplayRole) const; void setMolecule(QtGui::Molecule* molecule); QString name() const; private: QtGui::Molecule* m_molecule = nullptr; mutable QString m_name; mutable bool m_nameRequestPending = false; bool m_autoName = true; bool m_nameUpdateNeeded = true; Core::VariantMap m_propertiesCache; QNetworkAccessManager* m_network = nullptr; }; } // end namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/qtplugins/molecularproperties/molecularproperties.cpp000066400000000000000000000050511474375334400311000ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "molecularproperties.h" #include "molecularview.h" #include #include #include #include #include #include #include using Avogadro::QtGui::RichTextDelegate; namespace Avogadro::QtPlugins { MolecularProperties::MolecularProperties(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_action(new QAction(this)), m_molecule(nullptr) { m_action->setEnabled(true); m_action->setText(tr("&Molecular…")); m_action->setProperty("menu priority", 990); connect(m_action, SIGNAL(triggered()), SLOT(showDialog())); } MolecularProperties::~MolecularProperties() {} QString MolecularProperties::description() const { return tr("View general properties of a molecule."); } QList MolecularProperties::actions() const { return QList() << m_action; } QStringList MolecularProperties::menuPath(QAction*) const { return QStringList() << tr("&Analysis") << tr("&Properties"); } void MolecularProperties::setMolecule(QtGui::Molecule* mol) { if (mol == m_molecule) return; m_molecule = mol; } void MolecularProperties::showDialog() { // copied from the propeties dialog auto* dialog = new QDialog(qobject_cast(parent())); auto* layout = new QVBoxLayout(dialog); dialog->setLayout(layout); // Don't show whitespace around the table view layout->setSpacing(0); layout->setContentsMargins(0, 0, 0, 0); auto* model = new MolecularModel(); model->setMolecule(m_molecule); // view will delete itself & model using deleteLater() auto* view = new MolecularView(dialog); view->setMolecule(m_molecule); view->setSourceModel(model); view->setModel(model); // set the headers to true QFont font = view->horizontalHeader()->font(); font.setBold(true); view->horizontalHeader()->setFont(font); view->verticalHeader()->setFont(font); view->setItemDelegateForColumn(0, new RichTextDelegate(view)); view->horizontalHeader()->setStretchLastSection(true); view->resizeColumnsToContents(); layout->addWidget(view); dialog->setWindowTitle(view->windowTitle()); dialog->setWindowFlags(Qt::Window); dialog->show(); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/molecularproperties/molecularproperties.h000066400000000000000000000024141474375334400305450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_MOLECULARPROPERTIES_H #define AVOGADRO_QTPLUGINS_MOLECULARPROPERTIES_H #include namespace Avogadro { namespace Core { class Molecule; } namespace QtPlugins { /** * @brief The MolecularProperties class is an extension to launch * a MolecularPropertiesDialog. */ class MolecularProperties : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit MolecularProperties(QObject* parent_ = nullptr); ~MolecularProperties() override; QString name() const override { return tr("Molecular Properties"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; private slots: void showDialog(); private: QAction* m_action; QtGui::Molecule* m_molecule; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_MOLECULARPROPERTIESEXTENSION_H avogadrolibs-1.100.0/avogadro/qtplugins/molecularproperties/molecularview.cpp000066400000000000000000000144671474375334400276710ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "molecularview.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro { using QtGui::Molecule; MolecularView::MolecularView(QWidget* parent) : QTableView(parent), m_molecule(nullptr), m_model(nullptr) { this->setWindowTitle(tr("Molecule Properties")); QHeaderView* horizontal = this->horizontalHeader(); horizontal->setSectionResizeMode(QHeaderView::Interactive); QHeaderView* vertical = this->verticalHeader(); vertical->setSectionResizeMode(QHeaderView::Interactive); // You can select everything (e.g., to copy, select all, etc.) setCornerButtonEnabled(true); setSelectionBehavior(QAbstractItemView::SelectRows); setSelectionMode(QAbstractItemView::ExtendedSelection); // Alternating row colors setAlternatingRowColors(true); // Don't allow sorting the table setSortingEnabled(false); } void MolecularView::selectionChanged(const QItemSelection& selected, const QItemSelection&) { } void MolecularView::setMolecule(Molecule* molecule) { m_molecule = molecule; } void MolecularView::hideEvent(QHideEvent*) { if (model()) { model()->deleteLater(); } this->deleteLater(); } void MolecularView::keyPressEvent(QKeyEvent* event) { // handle copy event // thanks to https://www.walletfox.com/course/qtableviewcopypaste.php if (!event->matches(QKeySequence::Copy)) { QTableView::keyPressEvent(event); return; } // get the selected rows (if any) QModelIndexList selectedRows = selectionModel()->selectedRows(); // if nothing is selected, copy everything to the clipboard QString text; if (selectedRows.isEmpty()) { // iterate through every row and column and copy the data for (int i = 0; i < model()->rowCount(); ++i) { QStringList rowContents; for (int j = 0; j < model()->columnCount(); ++j) rowContents << model()->index(i, j).data().toString(); text += rowContents.join("\t"); text += "\n"; } } else { // copy the selected rows to the clipboard QItemSelectionRange range = selectionModel()->selection().first(); for (auto i = range.top(); i <= range.bottom(); ++i) { QStringList rowContents; for (auto j = range.left(); j <= range.right(); ++j) rowContents << model()->index(i, j).data().toString(); text += rowContents.join("\t"); text += "\n"; } } QApplication::clipboard()->setText(text); } void MolecularView::copySelectedRowsToClipboard() { // get the selected rows (if any) QModelIndexList selectedRows = selectionModel()->selectedRows(); // if nothing is selected, copy everything to the clipboard QString text; if (selectedRows.isEmpty()) { // iterate through every row and column and copy the data for (int i = 0; i < model()->rowCount(); ++i) { QStringList rowContents; for (int j = 0; j < model()->columnCount(); ++j) rowContents << model()->index(i, j).data().toString(); text += rowContents.join("\t"); text += "\n"; } } else { // copy the selected rows to the clipboard QItemSelectionRange range = selectionModel()->selection().first(); for (auto i = range.top(); i <= range.bottom(); ++i) { QStringList rowContents; for (auto j = range.left(); j <= range.right(); ++j) rowContents << model()->index(i, j).data().toString(); text += rowContents.join("\t"); text += "\n"; } } QApplication::clipboard()->setText(text); } void MolecularView::openExportDialogBox() { // Create a file dialog for selecting the export location and file name QString filePath = QFileDialog::getSaveFileName(this, tr("Export CSV"), QDir::homePath(), tr("CSV Files (*.csv);;All Files (*)")); if (filePath.isEmpty()) { // User canceled the dialog or didn't provide a file name return; } // Open the file for writing QFile file(filePath); if (!file.open(QIODevice::WriteOnly | QIODevice::Text)) { // Handle error opening the file QMessageBox::critical(this, tr("Error"), tr("Could not open the file for writing.")); return; } // Create a QTextStream to write to the file QTextStream stream(&file); // Write the header row with column names for (int col = 0; col < model()->columnCount(); ++col) { stream << model()->headerData(col, Qt::Horizontal).toString(); if (col < model()->columnCount() - 1) { stream << ","; } } stream << "\n"; // Write the data rows for (int row = 0; row < model()->rowCount(); ++row) { stream << model()->headerData(row, Qt::Vertical).toString() << ","; for (int col = 0; col < model()->columnCount(); ++col) { stream << model()->index(row, col).data().toString(); if (col < model()->columnCount() - 1) { stream << ","; } } stream << "\n"; } // Close the file file.close(); if (file.error() != QFile::NoError) { // Handle error closing the file QMessageBox::critical(this, tr("Error"), tr("Error writing to the file.")); } } void MolecularView::contextMenuEvent(QContextMenuEvent* event) { QMenu menu(this); QAction* copyAction = menu.addAction(tr("Copy")); menu.addAction(copyAction); connect(copyAction, &QAction::triggered, this, &MolecularView::copySelectedRowsToClipboard); QAction* exportAction = menu.addAction(tr("Export…")); menu.addAction(exportAction); connect(exportAction, &QAction::triggered, this, &MolecularView::openExportDialogBox); menu.exec(event->globalPos()); } } // end namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/molecularproperties/molecularview.h000066400000000000000000000023271474375334400273260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_MOLECULARVIEW_H #define AVOGADRO_QTPLUGINS_MOLECULARVIEW_H #include "molecularmodel.h" #include namespace Avogadro { namespace QtGui { class Molecule; } class MolecularView : public QTableView { Q_OBJECT public: explicit MolecularView(QWidget* parent = 0); void selectionChanged(const QItemSelection& selected, const QItemSelection& previous) override; void setMolecule(QtGui::Molecule* molecule); void setSourceModel(MolecularModel* model) { m_model = model; } void hideEvent(QHideEvent* event) override; void contextMenuEvent(QContextMenuEvent* event) override; protected: // copy the selected properties to the clipboard void keyPressEvent(QKeyEvent* event) override; private: QtGui::Molecule* m_molecule; MolecularModel* m_model; void copySelectedRowsToClipboard(); void openExportDialogBox(); }; } // end namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/qtplugins/navigator/000077500000000000000000000000001474375334400221655ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/navigator/CMakeLists.txt000066400000000000000000000004641474375334400247310ustar00rootroot00000000000000set(navigator_srcs navigator.cpp ) set(navigator_uis ) set(navigator_rcs navigator.qrc ) avogadro_plugin(Navigator "Navigation tool" ToolPlugin navigator.h Navigator "${navigator_srcs}" "${navigator_uis}" "${navigator_rcs}" ) target_link_libraries(Navigator PRIVATE Avogadro::QtOpenGL) avogadrolibs-1.100.0/avogadro/qtplugins/navigator/navigator.cpp000066400000000000000000000241211474375334400246630ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "navigator.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { const float ZOOM_SPEED = 0.02f; const float ROTATION_SPEED = 0.005f; Navigator::Navigator(QObject* parent_) : QtGui::ToolPlugin(parent_), m_activateAction(new QAction(this)), m_molecule(nullptr), m_glWidget(nullptr), m_toolWidget(nullptr), m_renderer(nullptr), m_pressedButtons(Qt::NoButton), m_currentAction(Nothing) { QString shortcut = tr("Ctrl+1", "control-key 1"); m_activateAction->setText(tr("Navigate")); m_activateAction->setToolTip( tr("Navigation Tool \t(%1)\n\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n").arg(shortcut)); setIcon(); QSettings settings; m_zoomDirection = settings.value("navigator/zoom", 1).toInt(); } void Navigator::setIcon(bool darkTheme) { if (darkTheme) m_activateAction->setIcon(QIcon(":/icons/navigator_dark.svg")); else m_activateAction->setIcon(QIcon(":/icons/navigator_light.svg")); } void Navigator::registerCommands() { emit registerCommand("rotateScene", tr("Rotate the scene along the x, y, or z axes.")); emit registerCommand("zoomScene", tr("Zoom the scene.")); emit registerCommand("translateScene", tr("Translate the scene.")); } bool Navigator::handleCommand(const QString& command, const QVariantMap& options) { if (m_renderer == nullptr) return false; // No camera if (command == "rotateScene") { float x = options.value("x").toFloat(); float y = options.value("y").toFloat(); float z = options.value("z").toFloat(); rotate(m_renderer->camera().focus(), x, y, z); m_glWidget->requestUpdate(); } else if (command == "zoomScene") { float d = options.value("delta").toFloat(); zoom(m_renderer->camera().focus(), d); m_glWidget->requestUpdate(); } else if (command == "translateScene") { float x = options.value("x").toFloat(); float y = options.value("y").toFloat(); translate(m_renderer->camera().focus(), x, y); m_glWidget->requestUpdate(); } else { qDebug() << "Unknown command: " << command; return false; } return true; } Navigator::~Navigator() {} QWidget* Navigator::toolWidget() const { if (!m_toolWidget) { m_toolWidget = new QWidget(qobject_cast(parent())); auto* layout = new QVBoxLayout; auto* swapZoom = new QCheckBox(tr("Reverse Direction of Zoom on Scroll")); swapZoom->setToolTip( tr("Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom")); connect(swapZoom, SIGNAL(toggled(bool)), this, SLOT(swapZoomDirection(bool))); layout->addWidget(swapZoom); layout->addStretch(1); m_toolWidget->setLayout(layout); } return m_toolWidget; } void Navigator::swapZoomDirection(bool checked) { m_zoomDirection = (checked ? -1 : 1); QSettings settings; settings.setValue("navigator/zoom", m_zoomDirection); } QUndoCommand* Navigator::mousePressEvent(QMouseEvent* e) { updatePressedButtons(e, false); m_lastMousePosition = e->pos(); e->accept(); // Figure out what type of navigation has been requested. if (e->buttons() & Qt::LeftButton && e->modifiers() == Qt::NoModifier) { m_currentAction = Rotation; } else if (e->buttons() & Qt::MiddleButton || (e->buttons() & Qt::LeftButton && e->modifiers() == Qt::ShiftModifier)) { m_currentAction = ZoomTilt; } else if (e->buttons() & Qt::RightButton || (e->buttons() & Qt::LeftButton && (e->modifiers() == Qt::ControlModifier || e->modifiers() == Qt::MetaModifier))) { m_currentAction = Translation; } return nullptr; } QUndoCommand* Navigator::mouseReleaseEvent(QMouseEvent* e) { updatePressedButtons(e, true); m_lastMousePosition = QPoint(); m_currentAction = Nothing; e->accept(); return nullptr; } QUndoCommand* Navigator::mouseMoveEvent(QMouseEvent* e) { switch (m_currentAction) { case Rotation: { QPoint delta = e->pos() - m_lastMousePosition; rotate(m_renderer->camera().focus(), delta.y(), delta.x(), 0); e->accept(); break; } case Translation: { Vector2f fromScreen(m_lastMousePosition.x(), m_lastMousePosition.y()); Vector2f toScreen(e->localPos().x(), e->localPos().y()); translate(m_renderer->camera().focus(), fromScreen, toScreen); e->accept(); break; } case ZoomTilt: { QPoint delta = e->pos() - m_lastMousePosition; // Tilt rotate(m_renderer->camera().focus(), 0, 0, delta.x()); // Zoom zoom(m_renderer->camera().focus(), delta.y()); e->accept(); break; } default:; } m_lastMousePosition = e->pos(); if (e->isAccepted()) emit updateRequested(); return nullptr; } QUndoCommand* Navigator::mouseDoubleClickEvent(QMouseEvent* e) { // Reset if (e->button() == Qt::MiddleButton) { if (m_glWidget) { m_glWidget->resetCamera(); e->accept(); emit updateRequested(); } } return nullptr; } QUndoCommand* Navigator::wheelEvent(QWheelEvent* e) { /// @todo Use scale for orthographic projections // Amount to zoom float d = 0.0f; QPoint numPixels = e->pixelDelta(); QPoint numDegrees = e->angleDelta() * 0.125; // see https://doc.qt.io/qt-5/qwheelevent.html#pixelDelta if (!numPixels.isNull() && QGuiApplication::platformName().toStdString().compare("xcb")) d = numPixels.y(); // use pixelDelta() when available, except on X11 else if (!numDegrees.isNull()) d = numDegrees.y(); // fall back to angleDelta() zoom(m_renderer->camera().focus(), m_zoomDirection * d); e->accept(); emit updateRequested(); return nullptr; } QUndoCommand* Navigator::keyPressEvent(QKeyEvent* e) { Vector3f ref = m_renderer->camera().focus(); switch (e->key()) { case Qt::Key_Left: case Qt::Key_H: case Qt::Key_A: if (e->modifiers() == Qt::NoModifier || e->modifiers() == Qt::KeypadModifier) rotate(ref, 0, -5, 0); else if (e->modifiers() == Qt::ShiftModifier) rotate(ref, 0, 0, -5); else if (e->modifiers() == Qt::ControlModifier) translate(ref, -5, 0); e->accept(); break; case Qt::Key_Right: case Qt::Key_L: case Qt::Key_D: if (e->modifiers() == Qt::NoModifier || e->modifiers() == Qt::KeypadModifier) rotate(ref, 0, 5, 0); else if (e->modifiers() == Qt::ShiftModifier) rotate(ref, 0, 0, 5); else if (e->modifiers() == Qt::ControlModifier) translate(ref, 5, 0); e->accept(); break; case Qt::Key_Up: case Qt::Key_K: case Qt::Key_W: if (e->modifiers() == Qt::NoModifier || e->modifiers() == Qt::KeypadModifier) rotate(ref, -5, 0, 0); else if (e->modifiers() == Qt::ShiftModifier) zoom(ref, -2); else if (e->modifiers() == Qt::ControlModifier) translate(ref, 0, -5); e->accept(); break; case Qt::Key_Down: case Qt::Key_J: case Qt::Key_S: if (e->modifiers() == Qt::NoModifier || e->modifiers() == Qt::KeypadModifier) rotate(ref, 5, 0, 0); else if (e->modifiers() == Qt::ShiftModifier) zoom(ref, 2); else if (e->modifiers() == Qt::ControlModifier) translate(ref, 0, 5); e->accept(); break; default: e->ignore(); } emit updateRequested(); return nullptr; } QUndoCommand* Navigator::keyReleaseEvent(QKeyEvent* e) { /// @todo e->ignore(); return nullptr; } inline void Navigator::updatePressedButtons(QMouseEvent* e, bool release) { /// @todo Use modifier keys on mac if (release) m_pressedButtons &= e->buttons(); else m_pressedButtons |= e->buttons(); } inline void Navigator::rotate(const Vector3f& ref, float x, float y, float z) { const Eigen::Affine3f& modelView = m_renderer->camera().modelView(); Vector3f xAxis = modelView.linear().row(0).transpose().normalized(); Vector3f yAxis = modelView.linear().row(1).transpose().normalized(); Vector3f zAxis = modelView.linear().row(2).transpose().normalized(); m_renderer->camera().translate(ref); m_renderer->camera().rotate(x * ROTATION_SPEED, xAxis); m_renderer->camera().rotate(y * ROTATION_SPEED, yAxis); m_renderer->camera().rotate(z * ROTATION_SPEED, zAxis); m_renderer->camera().translate(-ref); } inline void Navigator::zoom(const Vector3f& ref, float d) { const Eigen::Affine3f& modelView = m_renderer->camera().modelView(); Vector3f transformedCenter = modelView * ref; float distance = transformedCenter.norm(); float t = d * ZOOM_SPEED; float u = 2.0f / distance - 1.0f; if (t < u) t = u; if (m_renderer->camera().projectionType() == Rendering::Perspective) m_renderer->camera().preTranslate(transformedCenter * t); else m_renderer->camera().scale(t + 1.0f); } inline void Navigator::translate(const Vector3f& ref, float x, float y) { Vector2f fromScreen(0, 0); Vector2f toScreen(x, y); translate(ref, fromScreen, toScreen); } inline void Navigator::translate(const Vector3f& ref, const Vector2f& fromScr, const Vector2f& toScr) { Vector3f from(m_renderer->camera().unProject(fromScr, ref)); Vector3f to(m_renderer->camera().unProject(toScr, ref)); m_renderer->camera().translate(to - from); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/navigator/navigator.h000066400000000000000000000056771474375334400243470ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_NAVIGATOR_H #define AVOGADRO_QTPLUGINS_NAVIGATOR_H #include #include #include #include // for Qt:: namespace namespace Avogadro { namespace QtPlugins { /** * @class Navigator navigator.h * @brief The Navigator tool updates the camera in response to user input. * @author Allison Vacanti */ class Navigator : public QtGui::ToolPlugin { Q_OBJECT public: explicit Navigator(QObject* parent_ = nullptr); ~Navigator() override; QString name() const override { return tr("Navigate tool"); } QString description() const override { return tr("Navigate tool"); } unsigned char priority() const override { return 10; } QAction* activateAction() const override { return m_activateAction; } QWidget* toolWidget() const override; void setIcon(bool darkTheme = false) override; void setMolecule(QtGui::Molecule* mol) override { m_molecule = mol; } void setGLWidget(QtOpenGL::GLWidget* widget) override { m_glWidget = widget; } void setGLRenderer(Rendering::GLRenderer* renderer) override { m_renderer = renderer; } QUndoCommand* mousePressEvent(QMouseEvent* e) override; QUndoCommand* mouseReleaseEvent(QMouseEvent* e) override; QUndoCommand* mouseMoveEvent(QMouseEvent* e) override; QUndoCommand* mouseDoubleClickEvent(QMouseEvent* e) override; QUndoCommand* wheelEvent(QWheelEvent* e) override; QUndoCommand* keyPressEvent(QKeyEvent* e) override; QUndoCommand* keyReleaseEvent(QKeyEvent* e) override; bool handleCommand(const QString& command, const QVariantMap& options) override; void registerCommands() override; protected slots: void swapZoomDirection(bool checked); private: /** * Update the currently pressed buttons, accounting for modifier keys. * \todo Account for modifier keys. */ void updatePressedButtons(QMouseEvent*, bool release); void rotate(const Vector3f& ref, float x, float y, float z); void zoom(const Vector3f& ref, float d); void translate(const Vector3f& ref, float x, float y); void translate(const Vector3f& ref, const Vector2f& from, const Vector2f& to); QAction* m_activateAction; QtGui::Molecule* m_molecule; QtOpenGL::GLWidget* m_glWidget; mutable QWidget* m_toolWidget; Rendering::GLRenderer* m_renderer; Qt::MouseButtons m_pressedButtons; QPoint m_lastMousePosition; int m_zoomDirection; enum ToolAction { Nothing = 0, Rotation, Translation, ZoomTilt, Zoom }; ToolAction m_currentAction; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_NAVIGATOR_H avogadrolibs-1.100.0/avogadro/qtplugins/navigator/navigator.qrc000066400000000000000000000002171474375334400246660ustar00rootroot00000000000000 navigator_light.svg navigator_dark.svg avogadrolibs-1.100.0/avogadro/qtplugins/navigator/navigator_dark.svg000066400000000000000000000074601474375334400257100ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/navigator/navigator_light.svg000066400000000000000000000075151474375334400260770ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/networkdatabases/000077500000000000000000000000001474375334400235345ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/networkdatabases/CMakeLists.txt000066400000000000000000000005741474375334400263020ustar00rootroot00000000000000set(srcs networkdatabases.cpp ) avogadro_plugin(NetworkDatabases "Network databases" ExtensionPlugin networkdatabases.h NetworkDatabases "${srcs}" "" ) target_link_libraries(NetworkDatabases PRIVATE Avogadro::IO Qt::Network) if(WIN32) # for https support target_link_libraries(NetworkDatabases PRIVATE OpenSSL::SSL OpenSSL::Crypto OpenSSL::applink) endif() avogadrolibs-1.100.0/avogadro/qtplugins/networkdatabases/networkdatabases.cpp000066400000000000000000000067751474375334400276200ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "networkdatabases.h" #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { NetworkDatabases::NetworkDatabases(QObject* parent_) : ExtensionPlugin(parent_), m_action(new QAction(this)), m_molecule(nullptr), m_network(nullptr), m_progressDialog(nullptr) { m_action->setEnabled(true); m_action->setText("Download by &Name…"); m_action->setProperty("menu priority", 190); connect(m_action, SIGNAL(triggered()), SLOT(showDialog())); } NetworkDatabases::~NetworkDatabases() { } QList NetworkDatabases::actions() const { return QList() << m_action; } QStringList NetworkDatabases::menuPath(QAction*) const { return QStringList() << tr("&File") << tr("&Import"); } void NetworkDatabases::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } bool NetworkDatabases::readMolecule(QtGui::Molecule& mol) { if (m_moleculeData.isEmpty() || m_moleculeName.isEmpty()) return false; bool readOK = Io::FileFormatManager::instance().readString( mol, m_moleculeData.data(), "sdf"); if (readOK) // worked, so set the filename mol.setData("name", m_moleculeName.toStdString()); return readOK; } void NetworkDatabases::showDialog() { if (!m_network) { m_network = new QNetworkAccessManager(this); connect(m_network, SIGNAL(finished(QNetworkReply*)), this, SLOT(replyFinished(QNetworkReply*))); } if (!m_progressDialog) { m_progressDialog = new QProgressDialog(qobject_cast(parent())); } // Prompt for a chemical structure name bool ok; QString structureName = QInputDialog::getText( qobject_cast(parent()), tr("Chemical Name"), tr("Chemical structure to download."), QLineEdit::Normal, "", &ok); if (!ok || structureName.isEmpty()) return; // Hard coding the NIH resolver download URL - this could be used for other // services m_network->get(QNetworkRequest( QUrl("https://cactus.nci.nih.gov/chemical/structure/" + structureName + "/file?format=sdf&get3d=true"))); m_moleculeName = structureName; m_progressDialog->setLabelText(tr("Querying for %1").arg(structureName)); m_progressDialog->setRange(0, 0); m_progressDialog->show(); } void NetworkDatabases::replyFinished(QNetworkReply* reply) { m_progressDialog->hide(); // Read in all the data if (!reply->isReadable()) { QMessageBox::warning(qobject_cast(parent()), tr("Network Download Failed"), tr("Network timeout or other error.")); reply->deleteLater(); return; } m_moleculeData = reply->readAll(); // Check if the file was successfully downloaded if (m_moleculeData.contains("Error report") || m_moleculeData.contains("Page not found (404)")) { QMessageBox::warning( qobject_cast(parent()), tr("Network Download Failed"), tr("Specified molecule could not be found: %1").arg(m_moleculeName)); reply->deleteLater(); return; } emit moleculeReady(1); reply->deleteLater(); } } avogadrolibs-1.100.0/avogadro/qtplugins/networkdatabases/networkdatabases.h000066400000000000000000000031511474375334400272460ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_NETWORKDATABASES_H #define AVOGADRO_QTPLUGINS_NETWORKDATABASES_H #include #include #include class QNetworkAccessManager; class QNetworkReply; class QProgressDialog; namespace Avogadro { namespace QtPlugins { /** * @brief Queries online databases (currently the NIH structure resolver) and * loads the returned structure if one is found. */ class NetworkDatabases : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit NetworkDatabases(QObject* parent = nullptr); ~NetworkDatabases() override; QString name() const override { return tr("Network Databases"); } QString description() const override { return tr("Interact with online databases, query structures etc."); } QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; bool readMolecule(QtGui::Molecule& mol) override; private slots: void showDialog(); void replyFinished(QNetworkReply*); private: QAction* m_action; QtGui::Molecule* m_molecule; QNetworkAccessManager* m_network; QString m_moleculeName; QByteArray m_moleculeData; QProgressDialog* m_progressDialog; }; } } #endif // AVOGADRO_QTPLUGINS_NETWORKDATABASES_H avogadrolibs-1.100.0/avogadro/qtplugins/noncovalent/000077500000000000000000000000001474375334400225215ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/noncovalent/CMakeLists.txt000066400000000000000000000003411474375334400252570ustar00rootroot00000000000000avogadro_plugin(NonCovalent "Non-covalent interaction rendering, including hydrogen bonds" ScenePlugin noncovalent.h NonCovalent noncovalent.cpp "") target_link_libraries(NonCovalent PRIVATE Avogadro::Rendering) avogadrolibs-1.100.0/avogadro/qtplugins/noncovalent/noncovalent.cpp000066400000000000000000000317721474375334400255650ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "noncovalent.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include // bond angles #define M_TETRAHEDRAL (acosf(-1.0f / 3.0f)) #define M_TRIGONAL (2.0f * M_PI / 3.0f) namespace Avogadro::QtPlugins { using Core::Array; using Core::AtomHybridization; using Core::AtomUtilities; using Core::Bond; using Core::Elements; using Core::NeighborPerceiver; using QtGui::Molecule; using QtGui::PluginLayerManager; using Rendering::DashedLineGeometry; using Rendering::GeometryNode; using Rendering::GroupNode; NonCovalent::NonCovalent(QObject *p) : ScenePlugin(p) { m_layerManager = PluginLayerManager(m_name); QSettings settings; m_angleTolerancesDegrees = { settings.value("nonCovalent/angleTolerance0", 40.0).toDouble(), settings.value("nonCovalent/angleTolerance1", 40.0).toDouble(), settings.value("nonCovalent/angleTolerance2", 40.0).toDouble() }; m_maximumDistances = { settings.value("nonCovalent/maximumDistance0", 1.0).toDouble(), settings.value("nonCovalent/maximumDistance1", 2.0).toDouble(), settings.value("nonCovalent/maximumDistance2", 2.0).toDouble() }; auto hydrogenBColor = settings.value("nonCovalent/lineColor0", QColor(64, 192, 255)).value(); auto halogenBColor = settings.value("nonCovalent/lineColor1", QColor(128, 255, 64)).value(); auto chalcogenBColor = settings.value("nonCovalent/lineColor2", QColor(255, 192, 64)).value(); m_lineColors = { Vector3ub(hydrogenBColor.red(), hydrogenBColor.green(), hydrogenBColor.blue()), Vector3ub(halogenBColor.red(), halogenBColor.green(), halogenBColor.blue()), Vector3ub(chalcogenBColor.red(), chalcogenBColor.green(), chalcogenBColor.blue()) }; m_lineWidths = { settings.value("nonCovalent/lineWidth0", 5.0).toFloat(), settings.value("nonCovalent/lineWidth1", 5.0).toFloat(), settings.value("nonCovalent/lineWidth2", 5.0).toFloat() }; } NonCovalent::~NonCovalent() {} enum InteractionTypes { NONE = -1, HYDROGEN_BOND = 0, HALOGEN_BOND = 1, CHALCOGEN_BOND = 2 }; static enum InteractionTypes getInteractionType(const Molecule &molecule, Index i) { unsigned char inum = molecule.atomicNumber(i); switch (inum) { case 1: // hydrogen bond for (const Bond *b : molecule.bonds(i)) { Index j = b->getOtherAtom(i).index(); unsigned char jnum = molecule.atomicNumber(j); switch (jnum) { case 7: case 8: case 9: // F, O, N return HYDROGEN_BOND; } } break; case 9: case 17: case 35: case 53: // halogen bond for (const Bond *b : molecule.bonds(i)) { Index j = (b->atom1().index() == i ? b->atom2() : b->atom1()).index(); unsigned char jnum = molecule.atomicNumber(j); switch (jnum) { case 6: case 7: case 8: case 9: case 16: case 17: case 35: case 53: // F, O, N, Cl, Br, C, I, S return HALOGEN_BOND; } } break; case 8: case 16: case 34: case 52: // chalcogen bond for (const Bond *b : molecule.bonds(i)) { Index j = (b->atom1().index() == i ? b->atom2() : b->atom1()).index(); unsigned char jnum = molecule.atomicNumber(j); switch (jnum) { case 6: // C return CHALCOGEN_BOND; } } break; } return NONE; } static bool checkPairDonorIsValid(const Molecule &molecule, Index n, int interactionType) { unsigned char nnum = molecule.atomicNumber(n); switch (interactionType) { case HYDROGEN_BOND: switch (nnum) { case 7: case 8: case 9: case 17: // F, O, N, Cl return true; } break; case HALOGEN_BOND: switch (nnum) { case 7: case 8: case 9: case 17: // F, O, N, Cl return true; } break; case CHALCOGEN_BOND: switch (nnum) { case 7: case 8: case 9: case 16: case 17: case 34: case 52: // F, O, N, Cl, S, Se, Te return true; } break; } return false; } static bool checkAtomPairNotBonded(const Molecule &molecule, Index i, Index n) { Array bonds = molecule.bonds(i); /* Return true if all of the bonds from i are to atoms other than n */ return std::all_of(bonds.begin(), bonds.end(), [i, n](const Bond *b) { return b->getOtherAtom(i).index() != n; }); } static float computeAngle(Vector3 a, Vector3 b) { return acos(a.normalized().dot(b.normalized())); } static bool checkHoleVector( const Molecule &molecule, Index i, const Vector3 &in, float angleTolerance ) { Array bonds = molecule.bonds(i); Vector3 pos = molecule.atomPosition3d(i); /* Return true if any of the bonds to i forms a small enough angle * with 'in' at the opposite side of atom 'i' */ for (const Bond *b: bonds) { Index n = b->getOtherAtom(i).index(); Vector3 npos = molecule.atomPosition3d(n); float oppositeAngle = M_PI - computeAngle(in, npos - pos); if (oppositeAngle <= angleTolerance) return true; } return false; } static bool checkPairVector( const Molecule &molecule, Index n, const Vector3 &in, float angleTolerance ) { AtomHybridization hybridization = AtomUtilities::perceiveHybridization(molecule.atom(n)); Array bonds = molecule.bonds(n); size_t bondCount = bonds.size(); std::vector bondVectors; Vector3 pos = molecule.atomPosition3d(n); /* Compute all bond vectors around atom n */ for (const Bond *b: bonds) bondVectors.emplace_back(molecule.atomPosition3d(b->getOtherAtom(n).index()) - pos); float pairAngle; switch (hybridization) { case Core::SP3: switch (bondCount) { case 0: pairAngle = 0.0f; break; case 1: pairAngle = fabs(computeAngle(bondVectors[0], in) - M_TETRAHEDRAL); break; case 2: { Vector3 pairVector = AtomUtilities::generateNewBondVector( molecule.atom(n), bondVectors, hybridization ); pairAngle = computeAngle(pairVector, in); bondVectors.push_back(pairVector); pairVector = AtomUtilities::generateNewBondVector( molecule.atom(n), bondVectors, hybridization ); pairAngle = std::min(pairAngle, computeAngle(pairVector, in)); break; } case 3: { Vector3 pairVector = AtomUtilities::generateNewBondVector( molecule.atom(n), bondVectors, hybridization ); pairAngle = computeAngle(pairVector, in); break; } default: return false; } break; case Core::SP2: switch (bondCount) { case 0: pairAngle = 0.0f; break; case 1: pairAngle = fabs(computeAngle(bondVectors[0], in) - M_TRIGONAL); break; case 2: { Vector3 pairVector = AtomUtilities::generateNewBondVector( molecule.atom(n), bondVectors, hybridization ); pairAngle = computeAngle(pairVector, in); break; } default: return false; } break; case Core::SP: switch (bondCount) { case 0: pairAngle = 0.0f; break; case 1: { pairAngle = fabs(computeAngle(bondVectors[0], in) - M_PI); break; } default: return false; } break; default: return true; } return pairAngle <= angleTolerance; } void NonCovalent::process(const Molecule &molecule, Rendering::GroupNode &node) { std::vector enabledAtoms; Array enabledPositions; Array atomRadii; const size_t atomCount = molecule.atomCount(); for (Index i = 0; i < atomCount; ++i) { enabledAtoms.push_back(i); enabledPositions.push_back(molecule.atomPosition3d(i)); atomRadii.push_back(Elements::radiusVDW(molecule.atomicNumber(i))); } float absoluteMaxDistance = *std::max_element( m_maximumDistances.begin(), m_maximumDistances.end() ); NeighborPerceiver perceiver(enabledPositions, absoluteMaxDistance); auto *geometry = new GeometryNode; node.addChild(geometry); std::array lineGroups; for (Index type = 0; type < 3; type++) { lineGroups[type] = new DashedLineGeometry; lineGroups[type]->identifier().molecule = &molecule; lineGroups[type]->identifier().type = Rendering::BondType; lineGroups[type]->setLineWidth(m_lineWidths[type]); geometry->addDrawable(lineGroups[type]); } Array neighbors; for (Index i: enabledAtoms) { enum InteractionTypes interactionType = getInteractionType(molecule, i); if (interactionType == NONE) continue; Vector3 pos = molecule.atomPosition3d(i); double radius = atomRadii[i]; perceiver.getNeighborsInclusiveInPlace(neighbors, pos); for (Index ni : neighbors) { Index n = enabledAtoms[ni]; if (!checkPairDonorIsValid(molecule, n, interactionType)) continue; Vector3 npos = molecule.atomPosition3d(n); double nradius = atomRadii[n]; Vector3 distance_vector = npos - pos; if (distance_vector.norm() > m_maximumDistances[interactionType] + radius + nradius) continue; if (!checkAtomPairNotBonded(molecule, i, n)) continue; float angleTolerance = m_angleTolerancesDegrees[interactionType] * M_PI / 180.0; if (!checkHoleVector(molecule, i, distance_vector, angleTolerance)) continue; if (!checkPairVector(molecule, n, -distance_vector, angleTolerance)) continue; lineGroups[interactionType]->addDashedLine( pos.cast(), npos.cast(), m_lineColors[interactionType], 8 ); } } } QWidget *NonCovalent::setupWidget() { auto *widget = new QWidget(qobject_cast(this->parent())); auto *v = new QVBoxLayout; auto *tabs = new QTabWidget; for (Index i = 0; i < 3; i++) { // angle tolerance auto *angle_spin = new QDoubleSpinBox; angle_spin->setRange(0.0, 180.0); angle_spin->setSingleStep(1.0); angle_spin->setDecimals(0); angle_spin->setSuffix(tr(" °")); angle_spin->setValue(m_angleTolerancesDegrees[i]); QObject::connect(angle_spin, QOverload::of(&QDoubleSpinBox::valueChanged), this, [this, i](float tolerance){ return setAngleTolerance(tolerance, i); } ); // maximum distance auto *distance_spin = new QDoubleSpinBox; distance_spin->setRange(1.0, 10.0); distance_spin->setSingleStep(0.1); distance_spin->setDecimals(1); distance_spin->setSuffix(tr(" Å")); distance_spin->setValue(m_maximumDistances[i]); QObject::connect(distance_spin, QOverload::of(&QDoubleSpinBox::valueChanged), this, [this, i](float distance){ return setMaximumDistance(distance, i); } ); // line width auto* lineWidth_spin = new QDoubleSpinBox; lineWidth_spin->setRange(1.0, 10.0); lineWidth_spin->setSingleStep(0.5); lineWidth_spin->setDecimals(1); lineWidth_spin->setValue(m_lineWidths[i]); QObject::connect(lineWidth_spin, QOverload::of(&QDoubleSpinBox::valueChanged), this, [this, i](float width){ return setLineWidth(width, i); } ); auto *form = new QFormLayout; form->addRow(QObject::tr("Angle tolerance:"), angle_spin); form->addRow(QObject::tr("Maximum distance:"), distance_spin); form->addRow(QObject::tr("Line width:"), lineWidth_spin); auto *page = new QWidget; page->setLayout(form); tabs->addTab(page, INTERACTION_NAMES[i]); } v->addWidget(tabs); v->addStretch(1); widget->setLayout(v); return widget; } void NonCovalent::setAngleTolerance(float angleTolerance, Index index) { m_angleTolerancesDegrees[index] = float(angleTolerance); emit drawablesChanged(); QSettings settings; settings.setValue(QString("nonCovalent/angleTolerance%1").arg(index), angleTolerance); } void NonCovalent::setMaximumDistance(float maximumDistance, Index index) { m_maximumDistances[index] = float(maximumDistance); emit drawablesChanged(); QSettings settings; settings.setValue(QString("nonCovalent/maximumDistance%1").arg(index), maximumDistance); } void NonCovalent::setLineWidth(float width, Index index) { m_lineWidths[index] = width; emit drawablesChanged(); QSettings settings; settings.setValue(QString("nonCovalent/lineWidth%1").arg(index), width); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/noncovalent/noncovalent.h000066400000000000000000000036151474375334400252250ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_NONCOVALENT_H #define AVOGADRO_QTPLUGINS_NONCOVALENT_H #include #include namespace Avogadro { namespace QtPlugins { /** * @brief Predict some non-covalent interactions, like hydrogen bonds. * @author Aritz Erkiaga */ class NonCovalent : public QtGui::ScenePlugin { Q_OBJECT public: explicit NonCovalent(QObject* parent = nullptr); ~NonCovalent() override; void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; QString name() const override { return tr("Non-Covalent"); } QString description() const override { return tr("Render a few non-covalent interactions."); } QWidget* setupWidget() override; bool hasSetupWidget() const override { return true; } DefaultBehavior defaultBehavior() const override { return DefaultBehavior::False; } public slots: void setAngleTolerance(float angleTolerance, Index index); void setMaximumDistance(float maximumDistance, Index index); void setLineWidth(float width, Index index); private: const std::string m_name = "Non-Covalent"; const std::array INTERACTION_NAMES = { tr("Hydrogen"), tr("Halogen"), tr("Chalcogen") }; std::array m_angleTolerancesDegrees; std::array m_maximumDistances; std::array m_lineColors; std::array m_lineWidths; }; } // end namespace QtPlugins } // end namespace Avogadro #endif // AVOGADRO_QTPLUGINS_NONCOVALENT_H avogadrolibs-1.100.0/avogadro/qtplugins/openbabel/000077500000000000000000000000001474375334400221225ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/openbabel/CMakeLists.txt000066400000000000000000000007041474375334400246630ustar00rootroot00000000000000set(openbabel_srcs conformersearchdialog.cpp obcharges.cpp obfileformat.cpp obforcefielddialog.cpp obprocess.cpp openbabel.cpp ) set(openbabel_uis conformersearchdialog.ui obforcefielddialog.ui ) avogadro_plugin(OpenBabel "OpenBabel extension" ExtensionPlugin openbabel.h OpenBabel "${openbabel_srcs}" "${openbabel_uis}" ) target_link_libraries(OpenBabel PRIVATE Avogadro::IO Avogadro::Calc nlohmann_json::nlohmann_json) avogadrolibs-1.100.0/avogadro/qtplugins/openbabel/conformersearchdialog.cpp000066400000000000000000000116111474375334400271660ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "conformersearchdialog.h" #include #include #include namespace Avogadro { ConformerSearchDialog::ConformerSearchDialog(QWidget* parent) : QDialog(parent) { ui.setupUi(this); connect(ui.systematicRadio, SIGNAL(toggled(bool)), this, SLOT(systematicToggled(bool))); connect(ui.randomRadio, SIGNAL(toggled(bool)), this, SLOT(randomToggled(bool))); connect(ui.weightedRadio, SIGNAL(toggled(bool)), this, SLOT(weightedToggled(bool))); connect(ui.geneticRadio, SIGNAL(toggled(bool)), this, SLOT(geneticToggled(bool))); connect(ui.buttonBox, SIGNAL(clicked(QAbstractButton*)), this, SLOT(buttonClicked(QAbstractButton*))); m_method = 1; // systematic m_numConformers = 100; ui.numSpin->setValue(0); ui.systematicRadio->setChecked(true); ui.randomRadio->setChecked(false); ui.weightedRadio->setChecked(false); ui.geneticRadio->setChecked(false); ui.childrenSpinBox->setEnabled(false); ui.mutabilitySpinBox->setEnabled(false); ui.convergenceSpinBox->setEnabled(false); ui.scoringComboBox->setEnabled(false); } ConformerSearchDialog::~ConformerSearchDialog() {} void ConformerSearchDialog::buttonClicked(QAbstractButton* button) { if (button == ui.buttonBox->button(QDialogButtonBox::Ok)) { emit accepted(); } close(); } QStringList ConformerSearchDialog::options() const { QStringList options; // in OB v3.2 options << "--steps" << QString::number(ui.optimizationStepsSpinBox->value()); if (ui.systematicRadio->isChecked()) options << "--systematic"; else if (ui.randomRadio->isChecked()) { options << "--random"; options << "--nconf" << QString::number(ui.numSpin->value()); } else if (ui.weightedRadio->isChecked()) { options << "--weighted"; options << "--nconf" << QString::number(ui.numSpin->value()); } else if (ui.geneticRadio->isChecked()) { // genetic is the default, no need to specify options << "--nconf" << QString::number(ui.numSpin->value()); options << "--children" << QString::number(ui.childrenSpinBox->value()); options << "--mutability" << QString::number(ui.mutabilitySpinBox->value()); options << "--convergence" << QString::number(ui.convergenceSpinBox->value()); options << "--scoring" << ui.scoringComboBox->currentText(); } return options; } void ConformerSearchDialog::systematicToggled(bool checked) { if (checked) { m_method = 1; ui.systematicRadio->setChecked(true); ui.randomRadio->setChecked(false); ui.weightedRadio->setChecked(false); ui.geneticRadio->setChecked(false); ui.childrenSpinBox->setEnabled(false); ui.mutabilitySpinBox->setEnabled(false); ui.convergenceSpinBox->setEnabled(false); ui.scoringComboBox->setEnabled(false); ui.numSpin->setEnabled(false); ui.numSpin->setValue(0); } } void ConformerSearchDialog::randomToggled(bool checked) { if (checked) { m_method = 2; ui.systematicRadio->setChecked(false); ui.randomRadio->setChecked(true); ui.weightedRadio->setChecked(false); ui.geneticRadio->setChecked(false); ui.childrenSpinBox->setEnabled(false); ui.mutabilitySpinBox->setEnabled(false); ui.convergenceSpinBox->setEnabled(false); ui.scoringComboBox->setEnabled(false); ui.numSpin->setEnabled(true); ui.numSpin->setValue(100); } } void ConformerSearchDialog::weightedToggled(bool checked) { if (checked) { m_method = 3; ui.systematicRadio->setChecked(false); ui.randomRadio->setChecked(false); ui.weightedRadio->setChecked(true); ui.geneticRadio->setChecked(false); ui.childrenSpinBox->setEnabled(false); ui.mutabilitySpinBox->setEnabled(false); ui.convergenceSpinBox->setEnabled(false); ui.scoringComboBox->setEnabled(false); ui.numSpin->setEnabled(true); ui.numSpin->setValue(100); } } void ConformerSearchDialog::geneticToggled(bool checked) { if (checked) { m_method = 4; ui.systematicRadio->setChecked(false); ui.randomRadio->setChecked(false); ui.weightedRadio->setChecked(false); ui.geneticRadio->setChecked(true); ui.childrenSpinBox->setEnabled(true); ui.mutabilitySpinBox->setEnabled(true); ui.convergenceSpinBox->setEnabled(true); ui.scoringComboBox->setEnabled(true); ui.numSpin->setEnabled(true); ui.numSpin->setValue(100); } } void ConformerSearchDialog::accept() { m_numConformers = ui.numSpin->value(); hide(); } void ConformerSearchDialog::reject() { hide(); } int ConformerSearchDialog::numConformers() { return m_numConformers; } int ConformerSearchDialog::method() { return m_method; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/openbabel/conformersearchdialog.h000066400000000000000000000021041474375334400266300ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef CONFORMERSEARCHDIALOG_H #define CONFORMERSEARCHDIALOG_H #include #include "ui_conformersearchdialog.h" namespace Avogadro { class ConformerSearchDialog : public QDialog { Q_OBJECT public: //! Constructor explicit ConformerSearchDialog(QWidget* parent = 0); //! Deconstructor ~ConformerSearchDialog(); int method(); int numConformers(); QStringList options() const; public slots: void accept(); void reject(); void systematicToggled(bool checked); void randomToggled(bool checked); void weightedToggled(bool checked); void geneticToggled(bool checked); void buttonClicked(QAbstractButton* button); signals: void accepted(); private: Ui::ConformerSearchDialog ui; int m_method; int m_numConformers; }; } // namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/qtplugins/openbabel/conformersearchdialog.ui000066400000000000000000000165131474375334400270270ustar00rootroot00000000000000 ConformerSearchDialog 0 0 338 400 Conformer Search Method Number of conformers: 10000 Systematic rotor search Random rotor search Weighted rotor search Genetic algorithm search Optimization per conformer: steps 5 250 25 Genetic Algorithm Options number of children for each parent geometry Children: number of children for each parent geometry 1 9999 5 mutation frequency (lower = more frequent mutations) Mutability: mutation frequency (lower = more frequent mutations) 1 9999 5 number of identical generations before convergence is reached Convergence: number of identical generations before convergence is reached 2 999 25 Scoring method: scoring method for the genetic algorithm (RMSD = geometric distance, energy = lowest energies) RMSD Energy Qt::Horizontal QDialogButtonBox::Cancel|QDialogButtonBox::Ok buttonBox accepted() ConformerSearchDialog accept() 248 254 157 274 buttonBox rejected() ConformerSearchDialog reject() 316 260 286 274 avogadrolibs-1.100.0/avogadro/qtplugins/openbabel/obcharges.cpp000066400000000000000000000127661474375334400245770ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "obcharges.h" #include "obprocess.h" #include #include #include #include #include #include namespace Avogadro { using Core::Array; using Core::Molecule; namespace QtPlugins { class OBCharges::ProcessListener : public QObject { Q_OBJECT public: ProcessListener() : QObject(), m_finished(false) {} bool waitForOutput(Array& output, int msTimeout = 120000) { if (!wait(msTimeout)) return false; // success! output = m_output; return true; } public slots: void responseReceived(const Array output) { m_finished = true; m_output = output; } private: bool wait(int msTimeout) { QTimer timer; timer.start(msTimeout); while (timer.isActive() && !m_finished) qApp->processEvents(QEventLoop::AllEvents, 500); return m_finished; } // OBProcess* m_process; bool m_finished; Array m_output; }; OBCharges::OBCharges(const std::string& id) : m_identifier(id), ChargeModel() { // set the element mask based on our type / identifier m_elements.reset(); if (id == "eqeq") { // defined for 1-84 for (unsigned int i = 1; i <= 84; ++i) { m_elements.set(i); } } else if (id == "eem") { // H, Li, B, C, N, O, F, Na, Mg, Si, P, S, Cl m_elements.set(1); m_elements.set(3); m_elements.set(5); m_elements.set(6); m_elements.set(7); m_elements.set(8); m_elements.set(9); m_elements.set(11); m_elements.set(12); m_elements.set(14); m_elements.set(15); m_elements.set(16); m_elements.set(17); } else if (id == "eem2015ba") { // H, C, N, O, F, P, S, Cl, Br, I m_elements.set(1); m_elements.set(6); m_elements.set(7); m_elements.set(8); m_elements.set(9); m_elements.set(15); m_elements.set(16); m_elements.set(17); m_elements.set(35); m_elements.set(53); } else if (id == "gasteiger") { // H, C, N, O, F, P, S, Cl, Br, I, Al m_elements.set(1); m_elements.set(6); m_elements.set(7); m_elements.set(8); m_elements.set(9); m_elements.set(13); m_elements.set(15); m_elements.set(16); m_elements.set(17); m_elements.set(35); m_elements.set(53); } else if (id == "mmff94") { // H, C, N, O, F, Si, P, S, Cl, Br, and I // ions - Fe, F, Cl, Br, Li, Na, K, Zn, Ca, Cu, Mg m_elements.set(1); m_elements.set(6); m_elements.set(7); m_elements.set(8); m_elements.set(9); m_elements.set(14); m_elements.set(15); m_elements.set(16); m_elements.set(17); m_elements.set(35); m_elements.set(53); // ions m_elements.set(3); m_elements.set(11); m_elements.set(12); m_elements.set(19); m_elements.set(20); m_elements.set(26); m_elements.set(29); m_elements.set(30); } } OBCharges::~OBCharges() {} std::string OBCharges::name() const { if (m_identifier == "eqeq") return "EQEq"; else if (m_identifier == "eem") return "EEM"; else if (m_identifier == "eem2015ba") return "EEM 2015"; else if (m_identifier == "gasteiger") return "Gasteiger"; else if (m_identifier == "mmff94") return "MMFF94"; else return ""; } MatrixX OBCharges::partialCharges(const Core::Molecule& molecule) const { MatrixX charges(molecule.atomCount(), 1); if (m_identifier.empty()) { // no identifier, so we can't get the charges return charges; } // check to see if we already have them in the molecule charges = molecule.partialCharges(m_identifier); // if the number of charges matches the number of atoms // and there's a non-zero charge, then we're done if (charges.rows() == molecule.atomCount()) { for (unsigned int i = 0; i < charges.rows(); ++i) { if (abs(charges(i, 0)) > 0.00001) return charges; } } // otherwise, we're going to run obprocess to get the charges OBProcess process; ProcessListener listener; QObject::connect(&process, &OBProcess::chargesFinished, &listener, &ProcessListener::responseReceived); std::string outputString; // todo - check for failure, append errors, etc. m_cmlFormat.writeString(outputString, molecule); process.calculateCharges(QByteArray(outputString.c_str()), "cml", m_identifier); Core::Array output; if (!listener.waitForOutput(output)) { qDebug() << "Charges timed out."; return charges; } // push the output into our charges array for (unsigned int i = 0; i < output.size(); ++i) { charges(i, 0) = output[i]; } // workaround failed runs causing the code to freeze if (abs(charges(0, 0)) < 0.00001) charges(0, 0) = 0.0001; // check the size if (output.size() != molecule.atomCount()) { qDebug() << "Charges size mismatch."; return charges; } return charges; } MatrixX OBCharges::partialCharges(Core::Molecule& molecule) const { MatrixX charges = partialCharges(static_cast(molecule)); // cache the charges and allow them to show up in output molecule.setPartialCharges(m_identifier, charges); return charges; } } // namespace QtPlugins } // namespace Avogadro #include "obcharges.moc" avogadrolibs-1.100.0/avogadro/qtplugins/openbabel/obcharges.h000066400000000000000000000037231474375334400242350ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_OBCHARGES_H #define AVOGADRO_QTPLUGINS_OBCHARGES_H #include #include namespace Avogadro { namespace QtPlugins { class OBCharges : public Avogadro::Calc::ChargeModel { public: OBCharges(const std::string& identifier = ""); virtual ~OBCharges(); /** * Create a new instance of the file format class. Ownership passes to the * caller. */ virtual OBCharges* newInstance() const override { return new OBCharges; } /** * @brief A unique identifier defined by the file */ virtual std::string identifier() const override { return m_identifier; } /** * @brief Set the identifier */ virtual void setIdentifier(const std::string& identifier) { m_identifier = identifier; } /** * @brief Based on the identifiers -- for the menus, etc. */ virtual std::string name() const override; /** * @brief The element mask for a particular OB charge model (e.g., Gasteiger) * @return the mask relevant for this method */ virtual Core::Molecule::ElementMask elements() const override { return m_elements; } /** * @brief Retrieve the relevant charges from the molecule for our defined type */ virtual MatrixX partialCharges(Core::Molecule& mol) const override; virtual MatrixX partialCharges(const Core::Molecule& mol) const override; /** * @brief Synchronous use of the OBProcess. */ class ProcessListener; protected: std::string m_identifier; std::string m_name; Core::Molecule::ElementMask m_elements; mutable Io::CmlFormat m_cmlFormat; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_OBCHARGES_H avogadrolibs-1.100.0/avogadro/qtplugins/openbabel/obfileformat.cpp000066400000000000000000000213131474375334400252770ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "obfileformat.h" #include "obprocess.h" #include #include #include #include #include #include using json = nlohmann::json; namespace Avogadro::QtPlugins { /** * @brief The ProcessListener class allows synchronous use of OBProcess. */ class OBFileFormat::ProcessListener : public QObject { Q_OBJECT public: ProcessListener() : QObject(), m_finished(false) {} bool waitForOutput(QByteArray& output, int msTimeout = 120000) { if (!wait(msTimeout)) return false; // success! output = m_output; return true; } public slots: void responseReceived(const QByteArray& output) { m_finished = true; m_output = output; } private: bool wait(int msTimeout) { QTimer timer; timer.start(msTimeout); while (timer.isActive() && !m_finished) qApp->processEvents(QEventLoop::AllEvents, 500); return m_finished; } OBProcess* m_process; bool m_finished; QByteArray m_output; }; OBFileFormat::OBFileFormat(const std::string& name_, const std::string& identifier_, const std::string& description_, const std::string& specificationUrl_, const std::vector fileExtensions_, const std::vector mimeTypes_, const std::string& defaultFormat_, bool fileOnly_) : Io::FileFormat(), m_description(description_), m_fileExtensions(fileExtensions_), m_mimeTypes(mimeTypes_), m_identifier(identifier_), m_name(name_), m_specificationUrl(specificationUrl_), m_defaultFormat(defaultFormat_), m_fileOnly(fileOnly_) { } OBFileFormat::~OBFileFormat() {} bool OBFileFormat::read(std::istream& in, Core::Molecule& molecule) { json opts; if (!options().empty()) opts = json::parse(options(), nullptr, false); else opts = json::object(); // Allow blocking until the read is completed. OBProcess proc; ProcessListener listener; QObject::connect(&proc, SIGNAL(convertFinished(QByteArray)), &listener, SLOT(responseReceived(QByteArray))); // Just grab the first file extension from the list -- all extensions for a // given format map to the same parsers in OB. if (m_fileExtensions.empty()) { appendError("Internal error: No file extensions set."); return false; } // If we are reading a pure-2D format, generate 3D coordinates: QStringList options; QStringList formats2D; formats2D << "smi" << "smiles" << "can" << "inchi" << "wln"; if (formats2D.contains(QString::fromStdString(m_fileExtensions.front()))) options << "--gen3d"; // Check if we have extra arguments for open babel json extraArgs = opts.value("arguments", json::object()); if (extraArgs.is_array()) { for (const auto& arg : extraArgs) { if (arg.is_string()) options << arg.get().c_str(); } } // check if we're going to read to a different format // default is CML or CJSON QString format = QString::fromStdString(opts.value("format", m_defaultFormat)); if (!m_fileOnly) { // Determine length of data in.seekg(0, std::ios_base::end); std::istream::pos_type length = in.tellg(); in.seekg(0, std::ios_base::beg); in.clear(); // Extract char data QByteArray input; input.resize(static_cast(length)); in.read(input.data(), length); if (in.gcount() != length) { appendError("Error reading stream into buffer!"); return false; } // Perform the conversion. if (!proc.convert(input, QString::fromStdString(m_fileExtensions.front()), format, options)) { appendError("OpenBabel conversion failed!"); return false; } } else { // Can only read files. Need absolute path. QString filename = QString::fromStdString(fileName()); if (filename.isEmpty()) { // no choice but to write to a temporary file in.seekg(0, std::ios_base::end); std::istream::pos_type length = in.tellg(); in.seekg(0, std::ios_base::beg); in.clear(); // Extract data, hope it's not big QByteArray input; input.resize(static_cast(length)); in.read(input.data(), length); QTemporaryFile tmpFile; tmpFile.setAutoRemove(false); tmpFile.open(); tmpFile.write(input.data()); tmpFile.close(); filename = tmpFile.fileName(); } if (!QFileInfo(filename).isAbsolute()) { appendError("Internal error -- filename must be absolute! " + filename.toStdString()); return false; } // Perform the conversion. if (!proc.convert(filename, QString::fromStdString(m_fileExtensions.front()), format, options)) { appendError("OpenBabel conversion failed!"); return false; } } QByteArray output; if (!listener.waitForOutput(output)) { appendError(std::string("Conversion timed out.")); return false; } if (output.isEmpty()) { appendError(std::string("OpenBabel error: conversion failed.")); return false; } if (format == "cml") { if (!m_cmlFormat.readString(std::string(output.constData()), molecule)) { appendError(std::string("Error while reading OpenBabel-generated CML:")); appendError(m_cmlFormat.error()); return false; } } else if (format == "cjson") { if (!m_cjsonFormat.readString(std::string(output.constData()), molecule)) { appendError( std::string("Error while reading OpenBabel-generated CJSON:")); appendError(m_cjsonFormat.error()); return false; } } else if (format == "pdb") { if (!m_pdbFormat.readString(std::string(output.constData()), molecule)) { appendError(std::string("Error while reading OpenBabel-generated PDB:")); appendError(m_pdbFormat.error()); return false; } } else { return false; // unknown format } return true; } bool OBFileFormat::write(std::ostream& out, const Core::Molecule& molecule) { json opts; if (!options().empty()) opts = json::parse(options(), nullptr, false); else opts = json::object(); // Check if we have extra arguments for open babel QStringList options; json extraArgs = opts.value("arguments", json::object()); if (extraArgs.is_array()) { for (const auto& arg : extraArgs) { if (arg.is_string()) options << arg.get().c_str(); } } #ifndef NDEBUG qDebug() << " writing to " << m_defaultFormat.c_str(); #endif // Generate CML or CJSON to give to OpenBabel std::string outputString; if (m_defaultFormat == "cml") { if (!m_cmlFormat.writeString(outputString, molecule)) { appendError(std::string("Error while writing CML:")); appendError(m_cmlFormat.error()); return false; } } else if (m_defaultFormat == "cjson") { if (!m_cjsonFormat.writeString(outputString, molecule)) { appendError(std::string("Error while writing CJSON:")); appendError(m_cjsonFormat.error()); return false; } } // Block until the OpenBabel conversion finishes: OBProcess proc; ProcessListener listener; QObject::connect(&proc, SIGNAL(convertFinished(QByteArray)), &listener, SLOT(responseReceived(QByteArray))); // Just grab the first file extension from the list -- all extensions for a // given format map to the same parsers in OB. if (m_fileExtensions.empty()) { appendError("Internal error: No file extensions set."); return false; } proc.convert(QByteArray(outputString.c_str()), m_defaultFormat.c_str(), QString::fromStdString(m_fileExtensions.front()), options); QByteArray output; if (!listener.waitForOutput(output)) { appendError(std::string("Conversion timed out.")); return false; } if (output.isEmpty()) { appendError(std::string("OpenBabel error: conversion failed.")); return false; } out.write(output.constData(), output.size()); return true; } void OBFileFormat::clear() { Io::FileFormat::clear(); } Io::FileFormat* OBFileFormat::newInstance() const { return new OBFileFormat(m_name, m_identifier, m_description, m_specificationUrl, m_fileExtensions, m_mimeTypes, m_defaultFormat, m_fileOnly); } } // namespace Avogadro::QtPlugins #include "obfileformat.moc" avogadrolibs-1.100.0/avogadro/qtplugins/openbabel/obfileformat.h000066400000000000000000000054471474375334400247560ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_OBFILEFORMAT_H #define AVOGADRO_QTPLUGINS_OBFILEFORMAT_H #include #include #include #include namespace Avogadro { namespace QtPlugins { /** * @brief The OBFileFormat class implements the FileFormat API for using an * OBProcess for file IO. */ class OBFileFormat : public Avogadro::Io::FileFormat { public: OBFileFormat(const std::string& name_, const std::string& identifier_, const std::string& description_, const std::string& specificationUrl_, const std::vector fileExtensions_, const std::vector mimeTypes_, const std::string& defaultFormat_, bool fileOnly_ = false); ~OBFileFormat() override; Operations supportedOperations() const override { return m_rwFlags | File | (m_fileOnly ? None : Stream | String); } bool read(std::istream& in, Core::Molecule& molecule) override; bool write(std::ostream& out, const Core::Molecule& molecule) override; void clear() override; FileFormat* newInstance() const override; std::string description() const override { return m_description; } std::string identifier() const override { return m_identifier; } std::string name() const override { return m_name; } std::string specificationUrl() const override { return m_specificationUrl; } std::vector fileExtensions() const override { return m_fileExtensions; } std::vector mimeTypes() const override { return m_mimeTypes; } /** * Set whether this format supports read and/or write operations. */ void setReadWriteFlags(Operations ops) { m_rwFlags = ops & ReadWrite; } /** Whether or not the format supports files only. This is needed for * multifile formats. */ void setFileOnly(bool f) { m_fileOnly = f; } bool fileOnly() const { return m_fileOnly; } /** @} */ class ProcessListener; private: Operations m_rwFlags; std::string m_description; std::vector m_fileExtensions; std::vector m_mimeTypes; std::string m_identifier; std::string m_name; std::string m_specificationUrl; std::string m_defaultFormat; bool m_fileOnly; // internal format objects for interchange with obabel Io::CjsonFormat m_cjsonFormat; Io::CmlFormat m_cmlFormat; Io::PdbFormat m_pdbFormat; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_OBFILEFORMAT_H avogadrolibs-1.100.0/avogadro/qtplugins/openbabel/obforcefielddialog.cpp000066400000000000000000000202631474375334400264340ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "obforcefielddialog.h" #include "ui_obforcefielddialog.h" #include #include #include #include #include // for log10 namespace Avogadro::QtPlugins { enum OptimizationAlgorithm { SteepestDescent = 0, ConjugateGradient }; enum LineSearchMethod { Simple = 0, Newton }; OBForceFieldDialog::OBForceFieldDialog(const QStringList& forceFields, QWidget* parent_) : QDialog(parent_), ui(new Ui::OBForceFieldDialog) { ui->setupUi(this); ui->forceField->addItems(forceFields); updateRecommendedForceField(); connect(ui->useRecommended, SIGNAL(toggled(bool)), SLOT(useRecommendedForceFieldToggled(bool))); QSettings settings; bool autoDetect = settings.value("openbabel/optimizeGeometry/autoDetect", true).toBool(); ui->useRecommended->setChecked(autoDetect); } OBForceFieldDialog::~OBForceFieldDialog() { delete ui; } QStringList OBForceFieldDialog::prompt(QWidget* parent_, const QStringList& forceFields, const QStringList& startingOptions, const QString& recommendedForceField_) { OBForceFieldDialog dlg(forceFields, parent_); dlg.setOptions(startingOptions); dlg.setRecommendedForceField(recommendedForceField_); QStringList options; if (static_cast(dlg.exec()) == Accepted) options = dlg.options(); return options; } QStringList OBForceFieldDialog::options() const { QStringList opts; opts << "--crit" << QString::number(std::pow(10.0f, ui->energyConv->value()), 'e', 0) << "--ff" << ui->forceField->currentText() << "--steps" << QString::number(ui->stepLimit->value()) << "--rvdw" << QString::number(ui->vdwCutoff->value()) << "--rele" << QString::number(ui->eleCutoff->value()) << "--freq" << QString::number(ui->pairFreq->value()); switch (static_cast(ui->algorithm->currentIndex())) { case SteepestDescent: opts << "--sd"; break; default: case ConjugateGradient: break; } switch (static_cast(ui->lineSearch->currentIndex())) { case Newton: opts << "--newton"; break; default: case Simple: break; } if (ui->enableCutoffs->isChecked()) opts << "--cut"; return opts; } void OBForceFieldDialog::setOptions(const QStringList& opts) { // Set some defaults. These match the defaults in obabel -L minimize ui->energyConv->setValue(-6); ui->algorithm->setCurrentIndex(static_cast(ConjugateGradient)); ui->lineSearch->setCurrentIndex(static_cast(Simple)); ui->stepLimit->setValue(2500); ui->enableCutoffs->setChecked(false); ui->vdwCutoff->setValue(10.0); ui->eleCutoff->setValue(10.0); ui->pairFreq->setValue(10); for (QStringList::const_iterator it = opts.constBegin(), itEnd = opts.constEnd(); it < itEnd; ++it) { // We'll always use log: if (*it == "--log") { continue; } // Energy convergence: else if (*it == "--crit") { ++it; if (it == itEnd) { qWarning() << "OBForceFieldDialog::setOptions: " "--crit missing argument."; continue; } bool ok; float econv = it->toFloat(&ok); if (!ok) { qWarning() << "OBForceFieldDialog::setOptions: " "--crit is not numeric: " << *it; continue; } // We just show the econv as 10^(x), so calculate the nearest x int exponent = static_cast(std::floor(std::log10(econv) + 0.5)); ui->energyConv->setValue(exponent); continue; } // Use steepest descent? else if (*it == "--sd") { ui->algorithm->setCurrentIndex(SteepestDescent); continue; } // Use newton linesearch? else if (*it == "--newton") { ui->lineSearch->setCurrentIndex(Newton); continue; } // Force field? else if (*it == "--ff") { ++it; if (it == itEnd) { qWarning() << "OBForceFieldDialog::setOptions: " "--ff missing argument."; continue; } int index = ui->forceField->findText(*it); if (index < 0) { qWarning() << "OBForceFieldDialog::setOptions: " "--ff unknown: " << *it; continue; } ui->forceField->setCurrentIndex(index); continue; } // Step limit? else if (*it == "--steps") { ++it; if (it == itEnd) { qWarning() << "OBForceFieldDialog::setOptions: " "--steps missing argument."; continue; } bool ok; int numSteps = it->toInt(&ok); if (!ok) { qWarning() << "OBForceFieldDialog::setOptions: " "--steps is not numeric: " << *it; continue; } ui->stepLimit->setValue(numSteps); continue; } // Use cutoff? else if (*it == "--cut") { ui->enableCutoffs->setChecked(true); continue; } // Van der Waals cutoff else if (*it == "--rvdw") { ++it; if (it == itEnd) { qWarning() << "OBForceFieldDialog::setOptions: " "--rvdw missing argument."; continue; } bool ok; double cutoff = it->toDouble(&ok); if (!ok) { qWarning() << "OBForceFieldDialog::setOptions: " "--rvdw is not numeric: " << *it; continue; } ui->vdwCutoff->setValue(cutoff); continue; } // electrostatic cutoff else if (*it == "--rele") { ++it; if (it == itEnd) { qWarning() << "OBForceFieldDialog::setOptions: " "--rele missing argument."; continue; } bool ok; double cutoff = it->toDouble(&ok); if (!ok) { qWarning() << "OBForceFieldDialog::setOptions: " "--rele is not numeric: " << *it; continue; } ui->eleCutoff->setValue(cutoff); continue; } // Pair update frequency: else if (*it == "--freq") { ++it; if (it == itEnd) { qWarning() << "OBForceFieldDialog::setOptions: " "--freq missing argument."; continue; } bool ok; int numSteps = it->toInt(&ok); if (!ok) { qWarning() << "OBForceFieldDialog::setOptions: " "--freq is not numeric: " << *it; continue; } ui->pairFreq->setValue(numSteps); continue; } // ????? else { qWarning() << "OBForceFieldDialog::setOptions: " "Unrecognized option: " << *it; } } } void OBForceFieldDialog::setRecommendedForceField(const QString& rff) { if (rff == m_recommendedForceField) return; if (ui->forceField->findText(rff) == -1) return; m_recommendedForceField = rff; updateRecommendedForceField(); } void OBForceFieldDialog::useRecommendedForceFieldToggled(bool state) { if (!m_recommendedForceField.isEmpty()) { if (state) { int index = ui->forceField->findText(m_recommendedForceField); if (index >= 0) { ui->forceField->setCurrentIndex(index); } } } ui->forceField->setEnabled(!state); QSettings().setValue("openbabel/optimizeGeometry/autoDetect", state); } void OBForceFieldDialog::updateRecommendedForceField() { if (m_recommendedForceField.isEmpty()) { ui->useRecommended->hide(); ui->forceField->setEnabled(true); } else { ui->useRecommended->setText( tr("Autodetect (%1)").arg(m_recommendedForceField)); // Force the combo box to update if needed: useRecommendedForceFieldToggled(ui->useRecommended->isChecked()); ui->useRecommended->show(); } } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/openbabel/obforcefielddialog.h000066400000000000000000000065341474375334400261060ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_OBFORCEFIELDDIALOG_H #define AVOGADRO_QTPLUGINS_OBFORCEFIELDDIALOG_H #include namespace Avogadro { namespace QtPlugins { namespace Ui { class OBForceFieldDialog; } /** * @brief The OBForceFieldDialog class is used to prompt the user for parameters * to be used in an OpenBabel force field optimization. */ class OBForceFieldDialog : public QDialog { Q_OBJECT public: /** * Construct a new dialog using the forcefields in @a forceFields. */ explicit OBForceFieldDialog(const QStringList& forceFields, QWidget* parent_ = nullptr); ~OBForceFieldDialog() override; /** * Construct a new dialog using the forcefields in @a forceFields and * initialize the options to those in @a startingOptions (see setOptions). * If the user chooses the recommended force field, @a recommendedForceField_ * will be set. This is useful for preferring a specific force field for a * particular molecule. * When the user closes the dialog, the options they selected are returned. If * the user cancels the dialog, an empty list is returned. */ static QStringList prompt(QWidget* parent_, const QStringList& forceFields, const QStringList& startingOptions, const QString& recommendedForceField_ = QString()); /** * Get/set the options displayed in the dialog. The option format is a list of * strings that may be used directly as arguments in a call to * QProcess::start, with the exception of the `-i`, * `-o` and `--minimize` options, which are not used by this * class. See `obabel -L minimize` for a complete listing of available * options. * * Each option (and argument, if applicable) must be a separate string in the * list. For instance, to refer to the options in the call: @code obabel -icml -ocml --minimize --log --crit 1e-05 --ff Ghemical --sd" @endcode * * The option list should contain, in order: * - `--crit` * - `1e-05` * - `--ff` * - `Ghemical` * - `--sd` * * @note The `--log` option is always added in the list returned by * options, and is ignored by the setOptions method. * * @{ */ QStringList options() const; void setOptions(const QStringList& opts); /**@}*/ /** * Get/set the recommended forcefield for the current molecule. If an empty * string, the user will not be shown an option to use the recommended * forcefield. * If the string is non-empty (and in the forceFields list passed in the * constructor), the user will have the option of setting the forcefield to * this value. * * @{ */ QString recommendedForceField() const { return m_recommendedForceField; } void setRecommendedForceField(const QString& rff); /**@}*/ private slots: void useRecommendedForceFieldToggled(bool state); private: void updateRecommendedForceField(); Ui::OBForceFieldDialog* ui; QString m_recommendedForceField; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_OBFORCEFIELDDIALOG_H avogadrolibs-1.100.0/avogadro/qtplugins/openbabel/obforcefielddialog.ui000066400000000000000000000212541474375334400262700ustar00rootroot00000000000000 Avogadro::QtPlugins::OBForceFieldDialog 0 0 327 388 0 0 Geometry Optimization Parameters QLayout::SetFixedSize Qt::Horizontal QDialogButtonBox::Cancel|QDialogButtonBox::Ok Optimization Method Force field: Optimization algorithm: Line search technique: Steepest Descent Conjugate Gradient Simple Newton's Method Autodetect Qt::Horizontal Limit Non-Bonded Interactions true false Van der Waals cutoff distance: Pair update frequency: electrostatic cutoff distance: Å 0.250000000000000 100.000000000000000 0.250000000000000 10.000000000000000 Å 0.250000000000000 100.000000000000000 0.250000000000000 10.000000000000000 steps 1 100 1 10 Convergence Criteria "Energy" convergence: Step limit: units 10^ -10 9 -6 steps 0 100000 250 2500 forceField useRecommended algorithm lineSearch energyConv stepLimit enableCutoffs vdwCutoff eleCutoff pairFreq buttonBox buttonBox accepted() Avogadro::QtPlugins::OBForceFieldDialog accept() 248 254 157 274 buttonBox rejected() Avogadro::QtPlugins::OBForceFieldDialog reject() 316 260 286 274 avogadrolibs-1.100.0/avogadro/qtplugins/openbabel/obprocess.cpp000066400000000000000000000411341474375334400246300ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "obprocess.h" #include #include #include #include #include #include namespace Avogadro::QtPlugins { OBProcess::OBProcess(QObject* parent_) : QObject(parent_), m_processLocked(false), m_aborted(false), m_process(new QProcess(this)), #if defined(_WIN32) m_obabelExecutable("obabel.exe") #else m_obabelExecutable("obabel") #endif { // Read the AVO_OBABEL_EXECUTABLE env var to optionally override the // executable used for obabel. QByteArray obabelExec = qgetenv("AVO_OBABEL_EXECUTABLE"); if (!obabelExec.isEmpty()) { m_obabelExecutable = obabelExec; } else { // If not overridden, look for an obabel next to the executable. QDir baseDir(QCoreApplication::applicationDirPath()); if (!baseDir.absolutePath().startsWith("/usr/") && QFileInfo(baseDir.absolutePath() + '/' + m_obabelExecutable).exists()) { m_obabelExecutable = baseDir.absolutePath() + '/' + m_obabelExecutable; QProcessEnvironment env = QProcessEnvironment::systemEnvironment(); #if defined(_WIN32) env.insert("BABEL_DATADIR", QCoreApplication::applicationDirPath() + "/data"); #else QDir dir(QCoreApplication::applicationDirPath() + "/../share/openbabel"); QStringList filters; filters << "3.*" << "2.*"; QStringList dirs = dir.entryList(filters); if (dirs.size() == 1) { env.insert("BABEL_DATADIR", QCoreApplication::applicationDirPath() + "/../share/openbabel/" + dirs[0]); } else { qDebug() << "Error, Open Babel data directory not found."; } dir.setPath(QCoreApplication::applicationDirPath() + "/../lib/openbabel"); dirs = dir.entryList(filters); if (dirs.size() == 0) { env.insert("BABEL_LIBDIR", QCoreApplication::applicationDirPath() + "/../lib/openbabel/"); } else if (dirs.size() == 1) { env.insert("BABEL_LIBDIR", QCoreApplication::applicationDirPath() + "/../lib/openbabel/" + dirs[0]); } else { qDebug() << "Error, Open Babel plugins directory not found."; } #endif m_process->setProcessEnvironment(env); } } } QString OBProcess::version() { QString result; if (!tryLockProcess()) { qWarning() << "OBProcess::version: process already in use."; return result; } executeObabel(QStringList() << "-V"); if (m_process->waitForFinished(500)) result = m_process->readAllStandardOutput().trimmed(); releaseProcess(); return result; } void OBProcess::abort() { m_aborted = true; emit aborted(); } void OBProcess::obError() { qDebug() << "Process encountered an error, and did not execute correctly."; if (m_process) { qDebug() << "\tExit code:" << m_process->exitCode(); qDebug() << "\tExit status:" << m_process->exitStatus(); qDebug() << "\tExit output:" << m_process->readAll(); } } bool OBProcess::queryReadFormats() { if (!tryLockProcess()) { qWarning() << "OBProcess::queryReadFormats: process already in use."; return false; } // Setup options QStringList options; options << "-L" << "formats" << "read"; executeObabel(options, this, SLOT(queryReadFormatsPrepare())); return true; } bool OBProcess::queryWriteFormats() { if (!tryLockProcess()) { qWarning() << "OBProcess::queryWriteFormats: process already in use."; return false; } // Setup options QStringList options; options << "-L" << "formats" << "write"; executeObabel(options, this, SLOT(queryWriteFormatsPrepare())); return true; } void OBProcess::queryReadFormatsPrepare() { if (m_aborted) { releaseProcess(); return; } QMultiMap result; QString output = QString::fromLatin1(m_process->readAllStandardOutput()); QRegularExpression parser(R"(\s*([^\s]+)\s+--\s+([^\n]+)\n)"); QRegularExpressionMatch match; int pos = 0; while ((match = parser.match(output, pos)).hasMatch()) { QString extension = match.captured(1); QString description = match.captured(2); result.insertMulti(description, extension); pos = match.capturedEnd(0); } releaseProcess(); emit queryReadFormatsFinished(result); return; } void OBProcess::queryWriteFormatsPrepare() { if (m_aborted) { releaseProcess(); return; } QMultiMap result; QString output = QString::fromLatin1(m_process->readAllStandardOutput()); QRegularExpression parser(R"(\s*([^\s]+)\s+--\s+([^\n]+)\n)"); QRegularExpressionMatch match; int pos = 0; while ((match = parser.match(output, pos)).hasMatch()) { QString extension = match.captured(1); QString description = match.captured(2); result.insertMulti(description, extension); pos = match.capturedEnd(0); } releaseProcess(); emit queryWriteFormatsFinished(result); return; } bool OBProcess::convert(const QByteArray& input, const QString& inFormat, const QString& outFormat, const QStringList& options) { if (!tryLockProcess()) { qWarning() << "OBProcess::convert: process already in use."; return false; } QStringList realOptions; realOptions << QString("-i%1").arg(inFormat) << QString("-o%1").arg(outFormat) << options; executeObabel(realOptions, this, SLOT(convertPrepareOutput()), input); return true; } bool OBProcess::convert(const QString& filename, const QString& inFormat, const QString& outFormat, const QStringList& options) { if (!tryLockProcess()) { qWarning() << "OBProcess::convert: process already in use."; return false; } QStringList realOptions; realOptions << QString("-i%1").arg(inFormat) << filename << QString("-o%1").arg(outFormat) << options; executeObabel(realOptions, this, SLOT(convertPrepareOutput())); return true; } void OBProcess::convertPrepareOutput() { if (m_aborted) { releaseProcess(); return; } // Keep this empty if an error occurs: QByteArray output; // Check for errors. QString errorOutput = QString::fromLatin1(m_process->readAllStandardError()); QRegularExpression errorChecker("\\b0 molecules converted\\b" "|" "obabel: cannot read input format!"); if (!errorOutput.contains(errorChecker)) { if (m_process->exitStatus() == QProcess::NormalExit) output = m_process->readAllStandardOutput(); } /// Print any meaningful warnings @todo This should go to a log at some point. if (!errorOutput.isEmpty() && errorOutput != "1 molecule converted\n") qWarning() << m_obabelExecutable << " stderr:\n" << errorOutput; emit convertFinished(output); releaseProcess(); } bool OBProcess::queryForceFields() { if (!tryLockProcess()) { qWarning() << "OBProcess::queryForceFields(): process already in use."; return false; } QStringList options; options << "-L" << "forcefields"; executeObabel(options, this, SLOT(queryForceFieldsPrepare())); return true; } void OBProcess::queryForceFieldsPrepare() { if (m_aborted) { releaseProcess(); return; } QMultiMap result; QString output = QString::fromLatin1(m_process->readAllStandardOutput()); QRegularExpression parser(R"(([^\s]+)\s+(\S[^\n]*[^\n\.]+)\.?\n)"); QRegularExpressionMatch match; int pos = 0; while ((match = parser.match(output, pos)).hasMatch()) { QString key = match.captured(1); QString desc = match.captured(2); result.insertMulti(key, desc); pos = match.capturedEnd(0); } releaseProcess(); emit queryForceFieldsFinished(result); } bool OBProcess::queryCharges() { if (!tryLockProcess()) { qWarning() << "OBProcess::queryCharges(): process already in use."; return false; } QStringList options; options << "-L" << "charges"; executeObabel(options, this, SLOT(queryChargesPrepare())); return true; } void OBProcess::queryChargesPrepare() { if (m_aborted) { releaseProcess(); return; } QMultiMap result; QString output = QString::fromLatin1(m_process->readAllStandardOutput()); QRegularExpression parser(R"(([^\s]+)\s+(\S[^\n]*[^\n\.]+)\.?\n)"); QRegularExpressionMatch match; int pos = 0; while ((match = parser.match(output, pos)).hasMatch()) { QString key = match.captured(1); QString desc = match.captured(2); result.insertMulti(key, desc); pos = match.capturedEnd(0); } releaseProcess(); emit queryChargesFinished(result); } bool OBProcess::calculateCharges(const QByteArray& mol, const std::string& format, const std::string& type) { if (!tryLockProcess()) { qWarning() << "OBProcess::calculateCharges(): process already in use."; return false; } QStringList realOptions; if (format == "cjson") { realOptions << "-icjson"; } else { realOptions << "-icml"; } realOptions << "-onul" // ignore the output << "--partialcharge" << type.c_str() << "--print"; // Start the optimization executeObabel(realOptions, this, SLOT(chargesPrepareOutput()), mol); return true; } void OBProcess::chargesPrepareOutput() { if (m_aborted) { releaseProcess(); return; } // Keep this empty if an error occurs: QByteArray output; // Check for errors. QString errorOutput = QString::fromLatin1(m_process->readAllStandardError()); QRegularExpression errorChecker("\\b0 molecules converted\\b" "|" "obabel: cannot read input format!"); if (!errorOutput.contains(errorChecker)) { if (m_process->exitStatus() == QProcess::NormalExit) output = m_process->readAllStandardOutput(); } /// Print any meaningful warnings @todo This should go to a log at some point. if (!errorOutput.isEmpty() && errorOutput != "1 molecule converted\n") qWarning() << m_obabelExecutable << " stderr:\n" << errorOutput; // Convert the output line-by-line to charges Core::Array charges; QTextStream stream(output); QString line; while (stream.readLineInto(&line)) { bool ok; double charge = line.toDouble(&ok); if (!ok) break; charges.push_back(charge); } emit chargesFinished(charges); releaseProcess(); } bool OBProcess::optimizeGeometry(const QByteArray& mol, const QStringList& options, const std::string format) { if (!tryLockProcess()) { qWarning() << "OBProcess::optimizeGeometry(): process already in use."; return false; } QStringList realOptions; if (format == "cjson") { realOptions << "-icjson" << "-ocjson"; } else { realOptions << "-icml" << "-ocml"; } realOptions << "--minimize" << "--noh" // new in OB 3.0.1 << "--log" << options; // We'll need to read the log (printed to stderr) to update progress connect(m_process, SIGNAL(readyReadStandardError()), SLOT(optimizeGeometryReadLog())); // Initialize the log reader ivars m_optimizeGeometryLog.clear(); m_optimizeGeometryMaxSteps = -1; // Start the optimization executeObabel(realOptions, this, SLOT(optimizeGeometryPrepare()), mol); return true; } bool OBProcess::generateConformers(const QByteArray& mol, const QStringList& options, const std::string format) { if (!tryLockProcess()) { qWarning() << "OBProcess::generateConformers(): process already in use."; return false; } QStringList realOptions; if (format == "cjson") { realOptions << "-icjson" << "-ocjson"; } else { realOptions << "-icml" << "-ocml"; } realOptions << "--conformer" << "--noh" // new in OB 3.0.1 << "--log" << options; // We'll need to read the log (printed to stderr) to update progress connect(m_process, SIGNAL(readyReadStandardError()), SLOT(conformerReadLog())); // Initialize the log reader ivars m_optimizeGeometryLog.clear(); m_maxConformers = -1; // Start the optimization executeObabel(realOptions, this, SLOT(conformerPrepare()), mol); return true; } void OBProcess::optimizeGeometryPrepare() { if (m_aborted) { releaseProcess(); return; } QByteArray result = m_process->readAllStandardOutput(); releaseProcess(); emit optimizeGeometryFinished(result); } void OBProcess::conformerPrepare() { if (m_aborted) { releaseProcess(); return; } QByteArray result = m_process->readAllStandardOutput(); releaseProcess(); emit generateConformersFinished(result); } void OBProcess::optimizeGeometryReadLog() { // Append the current stderr to the log m_optimizeGeometryLog += QString::fromLatin1(m_process->readAllStandardError()); // Search for the maximum number of steps if we haven't found it yet if (m_optimizeGeometryMaxSteps < 0) { QRegularExpression maxStepsParser("\nSTEPS = ([0-9]+)\n\n"); QRegularExpressionMatch match; if ((match = maxStepsParser.match(m_optimizeGeometryLog)).hasMatch()) { m_optimizeGeometryMaxSteps = match.captured(1).toInt(); emit optimizeGeometryStatusUpdate(0, m_optimizeGeometryMaxSteps, 0.0, 0.0); } } // Emit the last printed step if (m_optimizeGeometryMaxSteps >= 0) { QRegularExpression lastStepParser( R"(\n\s*([0-9]+)\s+([-0-9.]+)\s+([-0-9.]+)\n)"); QRegularExpressionMatchIterator matchIterator = lastStepParser.globalMatch(m_optimizeGeometryLog); QRegularExpressionMatch lastMatch; while (matchIterator.hasNext()) { lastMatch = matchIterator.next(); // Capture the last match } if (lastMatch.hasMatch()) { int step = lastMatch.captured(1).toInt(); double energy = lastMatch.captured(2).toDouble(); double lastEnergy = lastMatch.captured(3).toDouble(); emit optimizeGeometryStatusUpdate(step, m_optimizeGeometryMaxSteps, energy, lastEnergy); } } } void OBProcess::conformerReadLog() { // Append the current stderr to the log // (we're grabbing the log from the geometry optimization) m_optimizeGeometryLog += QString::fromLatin1(m_process->readAllStandardError()); // Search for the maximum number of steps if we haven't found it yet if (m_optimizeGeometryMaxSteps < 0) { QRegularExpression maxStepsParser("\nSTEPS = ([0-9]+)\n\n"); QRegularExpressionMatch match; if ((match = maxStepsParser.match(m_optimizeGeometryLog)).hasMatch()) { m_optimizeGeometryMaxSteps = match.captured(1).toInt(); emit optimizeGeometryStatusUpdate(0, m_optimizeGeometryMaxSteps, 0.0, 0.0); } } // Emit the last printed step if (m_optimizeGeometryMaxSteps >= 0) { QRegularExpression lastStepParser( R"(\n\s*([0-9]+)\s+([-0-9.]+)\s+([-0-9.]+)\n)"); QRegularExpressionMatch match; if ((match = lastStepParser.match(m_optimizeGeometryLog)).hasMatch()) { int step = match.captured(1).toInt(); double energy = match.captured(2).toDouble(); double lastEnergy = match.captured(3).toDouble(); emit optimizeGeometryStatusUpdate(step, m_optimizeGeometryMaxSteps, energy, lastEnergy); } } } void OBProcess::executeObabel(const QStringList& options, QObject* receiver, const char* slot, const QByteArray& obabelStdin) { // Setup exit handler if (receiver) { connect(m_process, SIGNAL(finished(int)), receiver, slot); connect(m_process, SIGNAL(errorOccurred(QProcess::ProcessError)), receiver, slot); connect(m_process, SIGNAL(errorOccurred(QProcess::ProcessError)), this, SLOT(obError())); } // Start process #ifndef NDEBUG qDebug() << "OBProcess::executeObabel: " "Running" << m_obabelExecutable << options.join(" "); #endif m_process->start(m_obabelExecutable, options); if (!obabelStdin.isNull()) { m_process->write(obabelStdin); m_process->closeWriteChannel(); } } void OBProcess::resetState() { m_aborted = false; m_process->disconnect(this); disconnect(m_process); connect(this, SIGNAL(aborted()), m_process, SLOT(kill())); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/openbabel/obprocess.h000066400000000000000000000333161474375334400243000ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_OBPROCESS_H #define AVOGADRO_QTPLUGINS_OBPROCESS_H #include #include #include #include class QProcess; namespace Avogadro { namespace QtPlugins { /** * @brief The OBProcess class provides an interface to the `obabel` executable, * which is run in a separate process. * * The `obabel` executable used by this class can be overridden by setting the * AVO_OBABEL_EXECUTABLE environment variable. */ class OBProcess : public QObject { Q_OBJECT public: explicit OBProcess(QObject* parent_ = nullptr); /** * @return The output of obabel -V. */ QString version(); /** * @name Process Management * Methods, slots, and signals used to interact with the OpenBabel process. * @{ */ public: /** * The `obabel` executable used by the process. */ QString obabelExecutable() const { return m_obabelExecutable; } /** * @return True if the process is in use, false otherwise. */ bool inUse() const { return m_processLocked; } public slots: /** * Abort any currently running processes. * * This will cause aborted() to be emitted, but not any of the * operation-specific "finished" signals. */ void abort(); /** * Called when an error in the process occurs. */ void obError(); signals: /** * Emitted when the abort() method has been called. */ void aborted(); // end Process Management doxygen group /**@}*/ /** * @name File Format Support * Query the obabel executable for supported file formats. * @{ */ public slots: /** * Request a list of all supported input formats from obabel. * * After calling this method, the queryReadFormatsFinished signal will be * emitted. This method executes * * `obabel -L formats read` * * and parses the output into a map (keys are format descriptions, values are * format extensions). * * If an error occurs, queryReadFormatsFinished will be emitted with an empty * argument. * * @return True if the process started successfully, false otherwise. */ bool queryReadFormats(); /** * Request a list of all supported output formats from obabel. * * After calling this method, the queryWriteFormatsFinished signal will be * emitted. This method executes * * `obabel -L formats write` * * and parses the output into a map (keys are format descriptions, values are * format extensions). * * If an error occurs, queryWriteFormatsFinished will be emitted with an empty * argument. * * @return True if the process started successfully, false otherwise. */ bool queryWriteFormats(); signals: /** * Triggered when the process started by queryReadFormats() completes. * @param readFormats The input file formats that OpenBabel understands. Keys * are non-translated (english), human-readable descriptions of the formats, * and the values are the corresponding file extensions. * * @note readFormats will usually contain more than one extensions per format, * so accessing the values with QMap::values() (instead of QMap::value()) is * required. * * If an error occurs, readFormats will be empty. */ void queryReadFormatsFinished(QMultiMap readFormats); /** * Triggered when the process started by queryWriteFormats() completes. * @param writeFormats The file formats that OpenBabel can write. Keys * are non-translated (english), human-readable descriptions of the formats, * and the values are the corresponding file extensions. * * @note writeFormats will usually contain more than one extensions per * format, so accessing the values with QMap::values() (instead of * QMap::value()) is required. * * If an error occurs, writeFormats will be empty. */ void queryWriteFormatsFinished(QMultiMap writeFormats); private slots: void queryReadFormatsPrepare(); void queryWriteFormatsPrepare(); // end File Format Support doxygen group /**@}*/ /** * @name Format Operations * Operations that manipulate molecular representations. * @{ */ public slots: /** * Convert the text representation in @a input from @a inFormat to * @a outFormat. * * @param input Text representation of molecule in @a inFormat format. * @param inFormat File extension corresponding to input format * (see `obabel -L formats`). * @param outFormat File extension corresponding to output format. * @param options Additional options passed to obabel. * * After calling this method, the convertFinished signal will be emitted to * indicate return status along with the requested representation of the * molecule. * * The conversion is performed as: * `obabel -i -o < input > output` * * @return True if the process started successfully, false otherwise. */ bool convert(const QByteArray& input, const QString& inFormat, const QString& outFormat, const QStringList& options = QStringList()); /** * Convert the file @a filename from @a inFormat to @a outFormat. * * @param filename File containing molecule representation in @a inFormat * format. * @param inFormat File extension corresponding to input format * (see `obabel -L formats`). * @param outFormat File extension corresponding to output format. * @param options Additional options passed to obabel. * * After calling this method, the convertFinished signal will be emitted to * indicate return status along with the requested representation of the * molecule. * * The conversion is performed as: * `obabel -i -o > output` * * @return True if the process started successfully, false otherwise. */ bool convert(const QString& filename, const QString& inFormat, const QString& outFormat, const QStringList& options = QStringList()); signals: /** * Emitted after a call to convert() finishes. * @param output The molecule in CML format, or an empty QByteArray if an e * error occurred. */ void convertFinished(const QByteArray& output); private slots: void convertPrepareOutput(); // end Format Operations doxygen group /**@}*/ /** * @name Force Fields * Methods, signals, and slots pertaining to force fields (e.g. geometry * optimizations). * @{ */ public slots: /** * Request a list of all supported force fields from obabel. * * After calling this method, the queryForceFieldsFinished signal will be * emitted. This method executes * * `obabel -L forcefields` * * and parses the output. * * If an error occurs, queryForceFieldsFinished will be emitted with an empty * argument. * * @return True if the process started successfully, false otherwise. */ bool queryForceFields(); signals: /** * Triggered when the process started by queryForceFields() completes. * @param forceFields The force fields supported by OpenBabel. Keys * are unique identifiers for the force fields, and the values are * non-translated (english), human-readable descriptions. * * If an error occurs, forceFields will be empty. */ void queryForceFieldsFinished(const QMultiMap& forceFields); private slots: void queryForceFieldsPrepare(); public slots: /** * Request that obabel optimize a molecular structure using its minimize * operation. * @param cml A Chemical Markup Language representation of the molecule. * @param options Options for the optimization. See OBForceFieldDialog::prompt * for an easy method way to get the options from the user. * * After calling this method, the optimizeGeometryStatusUpdate signal will be * emitted periodically to indicate the optimization's progress. Once the * optimization finishes, optimizeGeometryFinished will be emitted with the * result of the optimization. * * The optimization is started with, e.g. * `obabel -icml -ocml --minimize ` * * The standard output is recorded and returned by optimizeGeometryFinished. * If @a options contains `--log`, the obabel process's standard error stream * is monitored for the data used in the optimizeGeometryStatusUpdate progress * updates. * * @return True if the process started successfully, false otherwise. */ bool optimizeGeometry(const QByteArray& cml, const QStringList& options, std::string format = "cml"); bool generateConformers(const QByteArray& cml, const QStringList& options, std::string format = "cml"); signals: /** * Emitted with the standard output of the process when it finishes. * If an error occurs, the argument will not be valid CML. */ void optimizeGeometryFinished(const QByteArray& cml); void generateConformersFinished(const QByteArray& cml); /** * Emitted every 10 steps of the optimization to indicate the current * progress. * @param step The current step of the minimization algorithm. * @param maxSteps The maximum number of steps before the minimization is * aborted. * @param currentEnergy The energy of the molecule at the current step. * @param lastEnergy The energy of the molecule at the previous minimization * step. */ void optimizeGeometryStatusUpdate(int step, int maxSteps, double currentEnergy, double lastEnergy); void conformerStatusUpdate(int step, int maxSteps, double currentEnergy, double lastEnergy); private slots: void optimizeGeometryPrepare(); void optimizeGeometryReadLog(); void conformerPrepare(); void conformerReadLog(); // end Force Fields doxygen group /**@}*/ /** * @name Charge Models * Methods, signals, and slots pertaining to partial charges * @{ */ public slots: /** * Request a list of all supported charge models from obabel. * * After calling this method, the queryChargesFinished signal will be * emitted. This method executes * * `obabel -L charges` * * and parses the output. * * If an error occurs, queryChargesFinished will be emitted with an empty * argument. * * @return True if the process started successfully, false otherwise. */ bool queryCharges(); signals: /** * Triggered when the process started by queryCharges() completes. * @param charges The charge models supported by OpenBabel. Keys * are unique identifiers for the charge models, and the values are * non-translated (english), human-readable descriptions. * * If an error occurs, charges will be empty. */ void queryChargesFinished(const QMultiMap& charges); private slots: void queryChargesPrepare(); public slots: /** * Calculate the partial charges on the molecule @a input using @a type * * @param input String containing molecule representation in @a inFormat * format. * @param inFormat File extension corresponding to input format * (see `obabel -L formats`). * @param type The charge model to use (e.g., MMFF94, gasteiger, etc.) * * After calling this method, the chargesFinished signal will be emitted to * indicate return status along with the charges as text. * * The process is performed as: * `obabel -i -onul --partialcharge --print < input > * output` * * @return True if the process started successfully, false otherwise. */ bool calculateCharges(const QByteArray& input, const std::string& inFormat = "cml", const std::string& type = "mmff94"); private slots: void chargesPrepareOutput(); signals: /** * Emitted after a call to calculateCharges() finishes. * @param output the set of partial charges */ void chargesFinished(const Core::Array& charges); // end Charge Models doxygen group /**@}*/ private: /** * Internal method for launching the obabel executable. * @param options List of options to pass to QProcess::start * @param receiver A QObject subclass instance that has @a slot as a member. * @param slot The slot to call when completed. Must have no arguments. * @param obabelStdin Standard input for the obabel process (optional). * * Call this method like so: @code QStringList options; executeObabel(options, this, SLOT(mySlot())); @endcode * * @a slot will be connected to QProcess::finished(int) and * QProcess::error(QProcess::ProcessError) with @a receiver as receiver and * @a m_process as sender. @a m_process is then started using * m_obabelExecutable and options as arguments. If provided, the obabelStdin * data will be written to the obabel stdin channel. */ void executeObabel(const QStringList& options, QObject* receiver = nullptr, const char* slot = nullptr, const QByteArray& obabelStdin = QByteArray()); void resetState(); // Not thread safe -- just uses a bool. bool tryLockProcess() { if (m_processLocked) return false; m_processLocked = true; resetState(); return true; } void releaseProcess() { m_processLocked = false; } bool m_processLocked; bool m_aborted; QProcess* m_process; QString m_obabelExecutable; // Optimize geometry ivars: int m_optimizeGeometryMaxSteps; unsigned m_maxConformers; QString m_optimizeGeometryLog; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_OBPROCESS_H avogadrolibs-1.100.0/avogadro/qtplugins/openbabel/openbabel.cpp000066400000000000000000001062631474375334400245650ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "openbabel.h" #include "conformersearchdialog.h" #include "obcharges.h" #include "obfileformat.h" #include "obforcefielddialog.h" #include "obprocess.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::QtGui::Molecule; namespace Avogadro::QtPlugins { OpenBabel::OpenBabel(QObject* p) : ExtensionPlugin(p), m_molecule(nullptr), m_process(new OBProcess(this)), m_readFormatsPending(true), m_writeFormatsPending(true), m_defaultFormat("cml"), m_progress(nullptr), m_conformerSearchDialog(nullptr) { auto* action = new QAction(this); action->setEnabled(true); action->setText(tr("Optimize Geometry")); connect(action, SIGNAL(triggered()), SLOT(onOptimizeGeometry())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Configure Force Field…")); connect(action, SIGNAL(triggered()), SLOT(onConfigureGeometryOptimization())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Conformer Search…")); connect(action, SIGNAL(triggered()), SLOT(onConfigureConformerSearch())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Perceive Bonds")); connect(action, SIGNAL(triggered()), SLOT(onPerceiveBonds())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Add Hydrogens")); connect(action, SIGNAL(triggered()), SLOT(onAddHydrogens())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Add Hydrogens for pH…")); connect(action, SIGNAL(triggered()), SLOT(onAddHydrogensPh())); m_actions.push_back(action); action = new QAction(this); action->setEnabled(true); action->setText(tr("Remove Hydrogens")); connect(action, SIGNAL(triggered()), SLOT(onRemoveHydrogens())); m_actions.push_back(action); refreshReadFormats(); refreshWriteFormats(); refreshForceFields(); refreshCharges(); QString info = openBabelInfo(); if (info.isEmpty()) { qWarning() << tr("%1 not found! Disabling Open Babel plugin actions.") .arg(OBProcess().obabelExecutable()); foreach (QAction* a, m_actions) a->setEnabled(false); } else { qDebug() << OBProcess().obabelExecutable() << " found: " << info; } } OpenBabel::~OpenBabel() {} QList OpenBabel::actions() const { return m_actions; } QStringList OpenBabel::menuPath(QAction*) const { return QStringList() << tr("&Extensions") << tr("&Open Babel"); } QList OpenBabel::fileFormats() const { // Return empty list if not ready yet, and print a warning. if (m_readFormatsPending || m_writeFormatsPending) { qDebug() << tr("The Open Babel file formats are not ready to be added."); return QList(); } QList result; std::string mapDesc; std::string fname; std::string fidentifier; std::string fdescription; std::string fspecificationUrl("http://openbabel.org/wiki/Category:Formats"); std::vector fexts; std::vector fmime; // Simple lambda to replace toSet in QList auto toSet = [&](const QList& list) { return QSet(list.begin(), list.end()); }; QSet formatDescriptions; formatDescriptions.unite(toSet(m_readFormats.uniqueKeys())); formatDescriptions.unite(toSet(m_writeFormats.uniqueKeys())); QSet formatExtensions; // These can only be read directly from file: QList multifileFormatDescriptions; multifileFormatDescriptions << "VASP format"; multifileFormatDescriptions << "Gaussian Output"; // Issue #571 multifileFormatDescriptions << "Generic Output file format"; // #571 and 827 foreach (const QString& qdesc, formatDescriptions) { mapDesc = qdesc.toStdString(); fname = mapDesc; fidentifier = std::string("OpenBabel: ") + mapDesc; fdescription = mapDesc; fexts.clear(); fmime.clear(); bool fileOnly = multifileFormatDescriptions.contains(qdesc); formatExtensions.clear(); Io::FileFormat::Operations rw = Io::FileFormat::None; if (m_readFormats.contains(qdesc)) { formatExtensions.unite(toSet(m_readFormats.values(qdesc))); rw |= Io::FileFormat::Read; } if (m_writeFormats.contains(qdesc)) { formatExtensions.unite(toSet(m_writeFormats.values(qdesc))); rw |= Io::FileFormat::Write; } foreach (const QString& ext, formatExtensions) fexts.push_back(ext.toStdString()); auto* fmt = new OBFileFormat(fname, fidentifier, fdescription, fspecificationUrl, fexts, fmime, m_defaultFormat, fileOnly); fmt->setReadWriteFlags(rw); result.append(fmt); } qDebug() << "Open Babel formats ready: " << result.size(); return result; } QString OpenBabel::openBabelInfo() const { OBProcess proc; QString version = proc.version(); if (version.isEmpty()) return QString(); return QString("%1: %2").arg(proc.obabelExecutable(), version); } void OpenBabel::setMolecule(QtGui::Molecule* mol) { if (mol != m_molecule) m_molecule = mol; } bool OpenBabel::readMolecule(QtGui::Molecule& mol) { m_progress->setLabelText(tr("Loading molecule from Open Babel…")); bool result = false; if (m_moleculeQueue.isEmpty()) { QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("An internal error occurred: " "OpenBabel::readMolecule called, but no obabel " "output is available to parse!"), QMessageBox::Ok); } else { QByteArray output = m_moleculeQueue.takeFirst(); // Empty output means openbabel crashed, etc. if (output.isEmpty()) { QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("An error occurred while running Open Babel " "(%1).") .arg(m_process->obabelExecutable()), QMessageBox::Ok); } else { result = Io::FileFormatManager::instance().readString( mol, output.constData(), m_defaultFormat); if (!result) { qWarning() << "Error parsing OpenBabel output:\n" << output; QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Error parsing openbabel output."), QMessageBox::Ok); } } } m_progress->reset(); return result; } void OpenBabel::refreshReadFormats() { // No need to check if the member process is in use -- we use a temporary // process for the refresh methods. auto* proc = new OBProcess(this); connect(proc, SIGNAL(queryReadFormatsFinished(QMultiMap)), SLOT(handleReadFormatUpdate(QMultiMap))); proc->queryReadFormats(); } void OpenBabel::handleReadFormatUpdate(const QMultiMap& fmts) { m_readFormatsPending = false; auto* proc = qobject_cast(sender()); if (proc) proc->deleteLater(); m_readFormats = fmts; // Emit a signal indicating the file formats are ready if read and write // formats have both returned their results. if (!m_readFormatsPending && !m_writeFormatsPending) { // Update the default format if cjson is available if (m_readFormats.contains("Chemical JSON") && m_writeFormats.contains("Chemical JSON")) { m_defaultFormat = "cjson"; qDebug() << "Setting default format to " << m_defaultFormat.c_str(); } emit fileFormatsReady(); } } void OpenBabel::refreshWriteFormats() { // No need to check if the member process is in use -- we use a temporary // process for the refresh methods. auto* proc = new OBProcess(this); connect(proc, SIGNAL(queryWriteFormatsFinished(QMultiMap)), SLOT(handleWriteFormatUpdate(QMultiMap))); proc->queryWriteFormats(); } void OpenBabel::handleWriteFormatUpdate(const QMultiMap& fmts) { m_writeFormatsPending = false; auto* proc = qobject_cast(sender()); if (proc) proc->deleteLater(); m_writeFormats = fmts; // Emit a signal indicating the file formats are ready if read and write // formats have both returned their results. if (!m_readFormatsPending && !m_writeFormatsPending) { emit fileFormatsReady(); // Update the default format if cjson is available if (m_readFormats.contains("Chemical JSON") && m_writeFormats.contains("Chemical JSON")) { m_defaultFormat = "cjson"; qDebug() << "Setting default format to cjson."; } } } void OpenBabel::refreshForceFields() { // No need to check if the member process is in use -- we use a temporary // process for the refresh methods. auto* proc = new OBProcess(this); connect(proc, SIGNAL(queryForceFieldsFinished(QMultiMap)), SLOT(handleForceFieldsUpdate(QMultiMap))); proc->queryForceFields(); } void OpenBabel::handleForceFieldsUpdate( const QMultiMap& ffMap) { auto* proc = qobject_cast(sender()); if (proc) proc->deleteLater(); m_forceFields = ffMap; } void OpenBabel::refreshCharges() { // No need to check if the member process is in use -- we use a temporary // process for the refresh methods. auto* proc = new OBProcess(this); connect(proc, SIGNAL(queryChargesFinished(QMultiMap)), SLOT(handleChargesUpdate(QMultiMap))); proc->queryCharges(); } void OpenBabel::handleChargesUpdate( const QMultiMap& chargeMap) { auto* proc = qobject_cast(sender()); if (proc) proc->deleteLater(); m_charges = chargeMap; // register the charge models foreach (const QString& key, m_charges.keys()) { // we're only picking a few select models for now if (key == "eem" || key == "eem2015ba" || key == "eqeq" || key == "gasteiger" || key == "mmff94") { auto* model = new OBCharges(key.toStdString()); Calc::ChargeManager::instance().registerModel(model); } } } void OpenBabel::onConfigureGeometryOptimization() { // If the force field map is empty, there is probably a problem with the // obabel executable. Warn the user and return. if (m_forceFields.isEmpty()) { QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("An error occurred while retrieving the list of " "supported forcefields. (using '%1').") .arg(m_process->obabelExecutable()), QMessageBox::Ok); return; } QSettings settings; QStringList options = settings.value("openbabel/optimizeGeometry/lastOptions").toStringList(); options = OBForceFieldDialog::prompt(qobject_cast(parent()), m_forceFields.keys(), options, autoDetectForceField()); // User cancel if (options.isEmpty()) return; settings.setValue("openbabel/optimizeGeometry/lastOptions", options); } void OpenBabel::onConfigureConformerSearch() { // If the force field map is empty, there is probably a problem with the // obabel executable. Warn the user and return. if (m_forceFields.isEmpty()) { QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("An error occurred while retrieving the list of " "supported forcefields. (using '%1').") .arg(m_process->obabelExecutable()), QMessageBox::Ok); return; } QSettings settings; QStringList options = settings.value("openbabel/conformerSearch/lastOptions").toStringList(); if (m_conformerSearchDialog == nullptr) { m_conformerSearchDialog = new ConformerSearchDialog(qobject_cast(parent())); connect(m_conformerSearchDialog, SIGNAL(accepted()), this, SLOT(onGenerateConformers())); } // todo set options from last run m_conformerSearchDialog->show(); } void OpenBabel::onOptimizeGeometry() { if (!m_molecule || m_molecule->atomCount() == 0) { QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Molecule invalid. Cannot optimize geometry."), QMessageBox::Ok); return; } // If the force field map is empty, there is probably a problem with the // obabel executable. Warn the user and return. if (m_forceFields.isEmpty()) { QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("An error occurred while retrieving the list of " "supported forcefields. (using '%1').") .arg(m_process->obabelExecutable()), QMessageBox::Ok); return; } // Fail here if the process is already in use if (m_process->inUse()) { showProcessInUseError(tr("Cannot optimize geometry with Open Babel.")); return; } QSettings settings; QStringList options = settings.value("openbabel/optimizeGeometry/lastOptions").toStringList(); bool autoDetect = settings.value("openbabel/optimizeGeometry/autoDetect", true).toBool(); if (autoDetect) { QString ff = autoDetectForceField(); int ffIndex = options.indexOf("--ff"); if (ffIndex >= 0) { // Shouldn't happen, but just to be safe... if (ffIndex + 1 == options.size()) options << ff; else options[ffIndex + 1] = ff; } else { options << "--ff" << ff; } } // Setup progress dialog initializeProgressDialog(tr("Optimizing Geometry (Open Babel)"), tr("Generating…"), 0, 0, 0); // Connect process disconnect(m_process); m_process->disconnect(this); connect(m_progress, SIGNAL(canceled()), m_process, SLOT(abort())); connect(m_process, SIGNAL(optimizeGeometryStatusUpdate(int, int, double, double)), SLOT(onOptimizeGeometryStatusUpdate(int, int, double, double))); connect(m_process, SIGNAL(optimizeGeometryFinished(QByteArray)), SLOT(onOptimizeGeometryFinished(QByteArray))); // Generate CML std::string mol; if (!Io::FileFormatManager::instance().writeString(*m_molecule, mol, m_defaultFormat)) { m_progress->reset(); QMessageBox::critical( qobject_cast(parent()), tr("Error"), tr("An internal error occurred while generating an " "Open Babel representation of the current molecule."), QMessageBox::Ok); return; } m_progress->setLabelText(tr("Starting %1…", "arg is an executable file.") .arg(m_process->obabelExecutable())); // Run obabel m_process->optimizeGeometry(QByteArray(mol.c_str()), options, m_defaultFormat); } void OpenBabel::onOptimizeGeometryStatusUpdate(int step, int numSteps, double energy, double lastEnergy) { QString status; if (step == 0) { status = tr("Step %1 of %2\nCurrent energy: %3\ndE: %4") .arg(step) .arg(numSteps) .arg(fabs(energy) > 1e-10 ? QString::number(energy, 'g', 5) : QString("(pending)")) .arg("(pending)"); } else { double dE = energy - lastEnergy; status = tr("Step %1 of %2\nCurrent energy: %3\ndE: %4") .arg(step) .arg(numSteps) .arg(energy, 0, 'g', 5) .arg(dE, 0, 'g', 5); } m_progress->setRange(0, numSteps); m_progress->setValue(step); m_progress->setLabelText(status); } void OpenBabel::onOptimizeGeometryFinished(const QByteArray& output) { m_progress->setLabelText(tr("Updating molecule…")); // CML --> molecule Core::Molecule mol; if (!Io::FileFormatManager::instance().readString(mol, output.constData(), m_defaultFormat)) { m_progress->reset(); QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Error interpreting Open Babel output."), QMessageBox::Ok); qDebug() << "Open Babel:" << output; return; } /// @todo cache a pointer to the current molecule in the above slot, and /// verify that we're still operating on the same molecule. // Check that the atom count hasn't changed: if (mol.atomCount() != m_molecule->atomCount()) { m_progress->reset(); QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Number of atoms in obabel output (%1) does not " "match the number of atoms in the original " "molecule (%2).") .arg(mol.atomCount()) .arg(m_molecule->atomCount()), QMessageBox::Ok); return; } m_molecule->undoMolecule()->setAtomPositions3d(mol.atomPositions3d(), tr("Optimize Geometry")); m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Modified); m_progress->reset(); } void OpenBabel::onGenerateConformers() { if (!m_molecule || m_molecule->atomCount() == 0) { QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Molecule invalid. Cannot generate conformers."), QMessageBox::Ok); return; } // If the force field map is empty, there is probably a problem with the // obabel executable. Warn the user and return. if (m_forceFields.isEmpty()) { QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("An error occurred while retrieving the list of " "supported forcefields. (using '%1').") .arg(m_process->obabelExecutable()), QMessageBox::Ok); return; } // Fail here if the process is already in use if (m_process->inUse()) { showProcessInUseError(tr("Cannot generate conformers with Open Babel.")); return; } if (m_conformerSearchDialog == nullptr) { return; // should't happen } QSettings settings; QStringList options = m_conformerSearchDialog->options(); QStringList ffOptions = settings.value("openbabel/optimizeGeometry/lastOptions").toStringList(); bool autoDetect = settings.value("openbabel/optimizeGeometry/autoDetect", true).toBool(); if (autoDetect) { QString ff = autoDetectForceField(); int ffIndex = ffOptions.indexOf("--ff"); if (ffIndex >= 0) { // Shouldn't happen, but just to be safe... if (ffIndex + 1 == ffOptions.size()) ffOptions << ff; else ffOptions[ffIndex + 1] = ff; } else { ffOptions << "--ff" << ff; } } options << ffOptions; // Setup progress dialog initializeProgressDialog(tr("Generating Conformers (Open Babel)"), tr("Generating…"), 0, 0, 0); // Connect process disconnect(m_process); m_process->disconnect(this); connect(m_progress, SIGNAL(canceled()), m_process, SLOT(abort())); connect(m_process, SIGNAL(conformerStatusUpdate(int, int, double, double)), SLOT(onConformerStatusUpdate(int, int, double, double))); connect(m_process, SIGNAL(generateConformersFinished(QByteArray)), SLOT(onGenerateConformersFinished(QByteArray))); std::string mol; if (!Io::FileFormatManager::instance().writeString(*m_molecule, mol, m_defaultFormat)) { m_progress->reset(); QMessageBox::critical( qobject_cast(parent()), tr("Error"), tr("An internal error occurred while generating an " "Open Babel representation of the current molecule."), QMessageBox::Ok); return; } m_progress->setLabelText(tr("Starting %1…", "arg is an executable file.") .arg(m_process->obabelExecutable())); // Run obabel m_process->generateConformers(QByteArray(mol.c_str()), options, m_defaultFormat); } void OpenBabel::onConformerStatusUpdate(int step, int numSteps, double energy, double lastEnergy) { QString status; if (step == 0) { status = tr("Step %1 of %2\nCurrent energy: %3\ndE: %4") .arg(step) .arg(numSteps) .arg(fabs(energy) > 1e-10 ? QString::number(energy, 'g', 5) : QString("(pending)")) .arg("(pending)"); } else { double dE = energy - lastEnergy; status = tr("Step %1 of %2\nCurrent energy: %3\ndE: %4") .arg(step) .arg(numSteps) .arg(energy, 0, 'g', 5) .arg(dE, 0, 'g', 5); } m_progress->setRange(0, numSteps); m_progress->setValue(step); m_progress->setLabelText(status); } void OpenBabel::onGenerateConformersFinished(const QByteArray& output) { m_progress->setLabelText(tr("Updating molecule…")); // output --> molecule Core::Molecule mol; if (!Io::FileFormatManager::instance().readString(mol, output.constData(), m_defaultFormat)) { m_progress->reset(); QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Error interpreting Open Babel output."), QMessageBox::Ok); qDebug() << "Open Babel:" << output; return; } /// @todo cache a pointer to the current molecule in the above slot, and /// verify that we're still operating on the same molecule. // Check that the atom count hasn't changed: if (mol.atomCount() != m_molecule->atomCount()) { m_progress->reset(); QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Number of atoms in obabel output (%1) does not " "match the number of atoms in the original " "molecule (%2).") .arg(mol.atomCount()) .arg(m_molecule->atomCount()), QMessageBox::Ok); return; } m_molecule->undoMolecule()->setAtomPositions3d(mol.atomPositions3d(), tr("Generate Conformers")); // copy the coordinate sets m_molecule->clearCoordinate3d(); for (size_t i = 0; i < mol.coordinate3dCount(); ++i) m_molecule->setCoordinate3d(mol.coordinate3d(i), i); // energy data too // TODO: check if other properties are needed m_molecule->setData("energies", mol.data("energies")); m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Modified); m_progress->reset(); } void OpenBabel::onPerceiveBonds() { // Fail here if the process is already in use if (m_process->inUse()) { showProcessInUseError(tr("Cannot open file with Open Babel.")); return; } if (!m_molecule || m_molecule->atomCount() < 2) { QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Invalid molecule: Cannot perceive bonds."), QMessageBox::Ok); return; } // Setup progress dialog initializeProgressDialog(tr("Perceiving Bonds (Open Babel)"), tr("Generating XYZ representation…"), 0, 0, 0); // Generate XYZ std::string xyz; if (!Io::FileFormatManager::instance().writeString(*m_molecule, xyz, "xyz")) { m_progress->reset(); QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Error generating XYZ string."), QMessageBox::Ok); return; } // Connect process disconnect(m_process); m_process->disconnect(this); connect(m_progress, SIGNAL(canceled()), m_process, SLOT(abort())); connect(m_process, SIGNAL(convertFinished(QByteArray)), SLOT(onPerceiveBondsFinished(QByteArray))); m_progress->setLabelText(tr("Converting XYZ to Open Babel with %1…") .arg(m_process->obabelExecutable())); // Run process m_process->convert(QByteArray(xyz.c_str(), xyz.size()), "xyz", m_defaultFormat.c_str()); } void OpenBabel::onPerceiveBondsFinished(const QByteArray& output) { m_progress->setLabelText(tr("Updating molecule from Open Babel…")); // CML --> molecule Core::Molecule mol; if (!Io::FileFormatManager::instance().readString(mol, output.constData(), m_defaultFormat)) { m_progress->reset(); QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Error interpreting Open Babel output."), QMessageBox::Ok); return; } /// @todo cache a pointer to the current molecule in the above slot, and /// verify that we're still operating on the same molecule. // Check that the atom count hasn't changed: if (mol.atomCount() != m_molecule->atomCount()) { m_progress->reset(); QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Number of atoms in obabel output (%1) does not " "match the number of atoms in the original " "molecule (%2).") .arg(mol.atomCount()) .arg(m_molecule->atomCount()), QMessageBox::Ok); return; } // Update the undo stack Molecule newMolecule = *m_molecule; newMolecule.clearBonds(); for (size_t i = 0; i < mol.bondCount(); ++i) { Avogadro::Core::Bond bond = mol.bond(i); newMolecule.addBond(newMolecule.atom(bond.atom1().index()), newMolecule.atom(bond.atom2().index()), bond.order()); } Molecule::MoleculeChanges changes = Molecule::Bonds | Molecule::Added | Molecule::Removed | Molecule::Modified; m_molecule->undoMolecule()->modifyMolecule(newMolecule, changes, "Perceive Bonds"); m_progress->reset(); } void OpenBabel::onAddHydrogens() { if (!m_molecule || m_molecule->atomCount() == 0) return; // Nothing to do. // Fail here if the process is already in use if (m_process->inUse()) { showProcessInUseError(tr("Cannot add hydrogens with Open Babel.")); return; } // Setup progress dialog initializeProgressDialog(tr("Adding Hydrogens (Open Babel)"), tr("Generating Open Babel input…"), 0, 0, 0); // Generate MDL std::string mol; if (!Io::FileFormatManager::instance().writeString(*m_molecule, mol, m_defaultFormat)) { m_progress->reset(); QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Error generating Open Babel input."), QMessageBox::Ok); return; } // Connect process disconnect(m_process); m_process->disconnect(this); connect(m_progress, SIGNAL(canceled()), m_process, SLOT(abort())); connect(m_process, SIGNAL(convertFinished(QByteArray)), SLOT(onHydrogenOperationFinished(QByteArray))); m_progress->setLabelText( tr("Running %1…").arg(m_process->obabelExecutable())); // Run process m_process->convert(QByteArray(mol.c_str(), mol.size()), m_defaultFormat.c_str(), m_defaultFormat.c_str(), QStringList() << "-h"); } void OpenBabel::onAddHydrogensPh() { if (!m_molecule || m_molecule->atomCount() == 0) return; // Nothing to do. // Fail here if the process is already in use if (m_process->inUse()) { showProcessInUseError(tr("Cannot add hydrogens with Open Babel.")); return; } // Prompt for pH bool ok = false; double pH = QInputDialog::getDouble(qobject_cast(parent()), tr("Add hydrogens for pH"), tr("pH:"), 7.4, 0, 14, 2, &ok); if (!ok) // user cancel return; // Setup progress dialog initializeProgressDialog(tr("Adding Hydrogens (Open Babel)"), tr("Generating obabel input…"), 0, 0, 0); // Generate MDL std::string mol; if (!Io::FileFormatManager::instance().writeString(*m_molecule, mol, m_defaultFormat)) { m_progress->reset(); QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Error generating Open Babel input."), QMessageBox::Ok); return; } // Connect process disconnect(m_process); m_process->disconnect(this); connect(m_progress, SIGNAL(canceled()), m_process, SLOT(abort())); connect(m_process, SIGNAL(convertFinished(QByteArray)), SLOT(onHydrogenOperationFinished(QByteArray))); m_progress->setLabelText( tr("Running %1…").arg(m_process->obabelExecutable())); // Run process m_process->convert(QByteArray(mol.c_str(), mol.size()), m_defaultFormat.c_str(), m_defaultFormat.c_str(), QStringList() << "-p" << QString::number(pH)); } void OpenBabel::onRemoveHydrogens() { if (!m_molecule || m_molecule->atomCount() == 0) return; // Nothing to do. // Fail here if the process is already in use if (m_process->inUse()) { showProcessInUseError(tr("Cannot remove hydrogens with Open Babel.")); return; } // Setup progress dialog initializeProgressDialog(tr("Removing Hydrogens (Open Babel)"), tr("Generating obabel input…"), 0, 0, 0); // Generate MDL std::string mol; if (!Io::FileFormatManager::instance().writeString(*m_molecule, mol, m_defaultFormat)) { m_progress->reset(); QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Error generating Open Babel data."), QMessageBox::Ok); return; } // Connect process disconnect(m_process); m_process->disconnect(this); connect(m_progress, SIGNAL(canceled()), m_process, SLOT(abort())); connect(m_process, SIGNAL(convertFinished(QByteArray)), SLOT(onHydrogenOperationFinished(QByteArray))); m_progress->setLabelText( tr("Running %1…").arg(m_process->obabelExecutable())); // Run process m_process->convert(QByteArray(mol.c_str(), mol.size()), m_defaultFormat.c_str(), m_defaultFormat.c_str(), QStringList() << "-d"); } void OpenBabel::onHydrogenOperationFinished(const QByteArray& mdl) { m_progress->setLabelText(tr("Reading obabel output…")); // MDL --> molecule Core::Molecule mol; if (!Io::FileFormatManager::instance().readString(mol, mdl.constData(), m_defaultFormat)) { m_progress->reset(); qWarning() << "Open Babel error: " << mdl; QMessageBox::critical(qobject_cast(parent()), tr("Error"), tr("Error interpreting Open Babel output."), QMessageBox::Ok); qDebug() << "Open Babel:" << mdl; return; } /// @todo cache a pointer to the current molecule in the above slot, and /// verify that we're still operating on the same molecule. // Update the undo stack Molecule newMolecule; for (Index i = 0; i < mol.atomCount(); ++i) { Core::Atom atom = mol.atom(i); newMolecule.addAtom(atom.atomicNumber()).setPosition3d(atom.position3d()); } for (Index i = 0; i < mol.bondCount(); ++i) { Core::Bond bond = mol.bond(i); newMolecule.addBond(newMolecule.atom(bond.atom1().index()), newMolecule.atom(bond.atom2().index()), bond.order()); } Molecule::MoleculeChanges changes = Molecule::Atoms | Molecule::Bonds | Molecule::Added | Molecule::Removed | Molecule::Modified; // If the number of atoms is greater, we added hydrogens. Else, we removed // them! QString undoString = "Add Hydrogens"; if (m_molecule->atomCount() > newMolecule.atomCount()) undoString = "Remove Hydrogens"; m_molecule->undoMolecule()->modifyMolecule(newMolecule, changes, undoString); m_progress->reset(); } void OpenBabel::initializeProgressDialog(const QString& title, const QString& label, int min, int max, int value, bool showDialog) { if (!m_progress) m_progress = new QProgressDialog(qobject_cast(parent())); m_progress->setWindowTitle(title); m_progress->setLabelText(label); m_progress->setRange(min, max); m_progress->setValue(value); m_progress->setMinimumDuration(0); if (showDialog) m_progress->show(); } void OpenBabel::showProcessInUseError(const QString& title) const { QMessageBox::critical(qobject_cast(parent()), title, tr("Already running Open Babel. Wait for the other " "operation to complete and try again."), QMessageBox::Ok); } QString OpenBabel::autoDetectForceField() const { // Guess forcefield based on molecule. Preference is GAFF, MMFF94, then UFF. // See discussion at // http://forums.openbabel.org/Heuristic-for-selecting-best-forcefield-td4655917.html QString formula = QString::fromStdString(m_molecule->formula()); QStringList elementTypes = formula.split(QRegularExpression("\\d+"), Qt::SkipEmptyParts); bool mmff94Valid = true; bool gaffValid = true; QStringList::const_iterator eleIter = elementTypes.constBegin(); while (eleIter != elementTypes.constEnd() && (mmff94Valid || gaffValid)) { // These are supported by GAFF and MMFF94s if (*eleIter != "C" && *eleIter != "H" && *eleIter != "F" && *eleIter != "Cl" && *eleIter != "Br" && *eleIter != "I" && *eleIter != "N" && *eleIter != "O" && *eleIter != "P" && *eleIter != "S") { gaffValid = false; mmff94Valid = false; // MMFF94 supports isolated metal ions but it's safer to use UFF // Fixes #1324 } ++eleIter; } QStringList ffs = m_forceFields.keys(); QString result; if (gaffValid && ffs.contains("GAFF")) result = "GAFF"; else if (mmff94Valid && ffs.contains("MMFF94")) result = "MMFF94"; // MMFF94 handles nitrogens more correctly than MMFF94s, but this // can be used in a pinch. else if (mmff94Valid && ffs.contains("MMFF94s")) result = "MMFF94s"; else if (ffs.contains("UFF")) result = "UFF"; return result; } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/openbabel/openbabel.h000066400000000000000000000066321474375334400242310ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_OPENBABEL_H #define AVOGADRO_QTPLUGINS_OPENBABEL_H #include "conformersearchdialog.h" #include #include class QAction; class QProgressDialog; namespace Avogadro { namespace QtPlugins { class OBProcess; /** * @brief The OpenBabel class implements the ExtensionPlugin interface to * expose some OpenBabel functionality. * * @todo The readMolecule method will need to be updated if we allow * multimolecule files to load with the Io::CmlReader. */ class OpenBabel : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit OpenBabel(QObject* parent = nullptr); ~OpenBabel() override; QString name() const override { return tr("OpenBabel"); } QString description() const override { return tr("Interact with OpenBabel utilities."); } QList actions() const override; QStringList menuPath(QAction*) const override; QList fileFormats() const override; QString openBabelInfo() const; public slots: void setMolecule(QtGui::Molecule* mol) override; bool readMolecule(QtGui::Molecule& mol) override; private slots: void refreshReadFormats(); void handleReadFormatUpdate(const QMultiMap& fmts); void refreshWriteFormats(); void handleWriteFormatUpdate(const QMultiMap& fmts); void refreshForceFields(); void handleForceFieldsUpdate(const QMultiMap& ffMap); void refreshCharges(); void handleChargesUpdate(const QMultiMap& chargeMap); void onConfigureGeometryOptimization(); void onConfigureConformerSearch(); void onOptimizeGeometry(); void onOptimizeGeometryStatusUpdate(int step, int numSteps, double energy, double lastEnergy); void onOptimizeGeometryFinished(const QByteArray& output); void onGenerateConformers(); void onConformerStatusUpdate(int step, int numSteps, double energy, double lastEnergy); void onGenerateConformersFinished(const QByteArray& output); void onPerceiveBonds(); void onPerceiveBondsFinished(const QByteArray& output); void onAddHydrogens(); void onAddHydrogensPh(); void onRemoveHydrogens(); void onHydrogenOperationFinished(const QByteArray& cml); private: void initializeProgressDialog(const QString& title, const QString& label, int min, int max, int value, bool showDialog = true); void showProcessInUseError(const QString& title) const; QString autoDetectForceField() const; QtGui::Molecule* m_molecule; OBProcess* m_process; QList m_actions; QList m_moleculeQueue; bool m_readFormatsPending; bool m_writeFormatsPending; QMultiMap m_readFormats; QMultiMap m_writeFormats; QMultiMap m_forceFields; QMultiMap m_charges; std::string m_defaultFormat; QProgressDialog* m_progress; ConformerSearchDialog* m_conformerSearchDialog; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_OPENBABEL_H avogadrolibs-1.100.0/avogadro/qtplugins/openmminput/000077500000000000000000000000001474375334400225465ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/openmminput/CMakeLists.txt000066400000000000000000000004221474375334400253040ustar00rootroot00000000000000# Extension set(openmminput_srcs openmminputdialog.cpp openmminput.cpp ) avogadro_plugin(OpenMMInput "OpenMM input script generation" ExtensionPlugin openmminput.h OpenMMInput "${openmminput_srcs}" openmminputdialog.ui ) target_link_libraries(OpenMMInput) avogadrolibs-1.100.0/avogadro/qtplugins/openmminput/openmminput.cpp000066400000000000000000000041421474375334400256260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "openmminput.h" #include "openmminputdialog.h" #include #include #include #include #include #include namespace Avogadro { namespace Core { class Molecule; } namespace QtPlugins { OpenMMInput::OpenMMInput(QObject* parent_) : ExtensionPlugin(parent_), m_action(new QAction(this)), m_molecule(nullptr), m_dialog(nullptr), m_outputFormat(nullptr) { m_action->setEnabled(true); m_action->setText(tr("&OpenMM Script…")); connect(m_action, SIGNAL(triggered()), SLOT(menuActivated())); } OpenMMInput::~OpenMMInput() {} QList OpenMMInput::actions() const { QList actions_; actions_.append(m_action); return actions_; } QStringList OpenMMInput::menuPath(QAction*) const { QStringList path; path << tr("&Input"); return path; } void OpenMMInput::setMolecule(QtGui::Molecule* mol) { if (m_dialog) m_dialog->setMolecule(mol); m_molecule = mol; } bool OpenMMInput::readMolecule(QtGui::Molecule& mol) { Io::FileFormat* reader = m_outputFormat->newInstance(); bool success = reader->readFile(m_outputFileName.toStdString(), mol); if (!success) { QMessageBox::information(qobject_cast(parent()), tr("Error"), tr("Error reading output file '%1':\n%2") .arg(m_outputFileName) .arg(QString::fromStdString(reader->error()))); } m_outputFormat = nullptr; m_outputFileName.clear(); return success; } void OpenMMInput::menuActivated() { if (!m_dialog) { m_dialog = new OpenMMInputDialog(qobject_cast(parent())); } m_dialog->setMolecule(m_molecule); m_dialog->show(); } } // namespace QtPlugins } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/openmminput/openmminput.h000066400000000000000000000027661474375334400253050ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_OPENMMINPUT_H #define AVOGADRO_QTPLUGINS_OPENMMINPUT_H #include class QAction; class QDialog; namespace Avogadro { namespace Io { class FileFormat; } namespace QtPlugins { class OpenMMInputDialog; class OpenMMInput : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit OpenMMInput(QObject* parent = nullptr); ~OpenMMInput() override; QString name() const override { return tr("OpenMM input"); } QString description() const override { return tr("Generate input for OpenMM."); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule* mol) override; public slots: /** * Emitted when the user requests that a job's output be loaded in Avogadro. */ // void openJobOutput(const MoleQueue::JobObject& job); bool readMolecule(QtGui::Molecule& mol) override; private slots: void menuActivated(); private: QAction* m_action; QtGui::Molecule* m_molecule; OpenMMInputDialog* m_dialog; const Io::FileFormat* m_outputFormat; QString m_outputFileName; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_OPENMMINPUT_H avogadrolibs-1.100.0/avogadro/qtplugins/openmminput/openmminputdialog.cpp000066400000000000000000001173311474375334400270130ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "openmminputdialog.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { OpenMMInputDialog::OpenMMInputDialog(QWidget* parent, Qt::WindowFlags flag) : QDialog(parent, flag), m_molecule(nullptr), m_forceFieldType(amber99sbildn), m_title("Title"), m_savePath(""), m_waterModelType(tip3p), m_nonBondedType(PME), m_constraintType(HBonds), m_integratorType(Langevin), m_barostatType(NoBarostat), m_deviceIndex(1), m_openclPlatformIndex(1), m_rigidWater(0), m_temperature(298.15), m_generationTemperature(298.15), m_nonBondedCutoff(1.0), m_timeStep(2.0), m_ewaldTolerance(0.0005), m_constraintTolerance(0.00001), m_reportInterval(1000), m_equilibriationSteps(100), m_productionSteps(1000), m_errorTolerance(0.0001), m_collisionRate(1.0), m_pressure(1.0), m_barostatInterval(25), m_dumpStep(1), m_velocityDistRandom(0), m_platformType(CUDA), m_precisionType(mixedPrecision), m_thermoInterval(50), m_minimize(0), m_minimizeSteps(1000), m_DCDReporter(true), m_PDBReporter(false), m_stateDataReporter(true), m_output(), m_dirty(false), m_warned(false), readData(false), m_jobEdit(nullptr), m_moleculeEdit(nullptr) { ui.setupUi(this); m_jobFileName = (ui.jobScriptEdit->text().isEmpty() ? ui.jobScriptEdit->placeholderText() : ui.jobScriptEdit->text()) + ".py"; m_inputCoordFileName = (ui.inputCoordEdit->text().isEmpty() ? ui.inputCoordEdit->placeholderText() : ui.inputCoordEdit->text()); m_topologyFileName = (ui.inputTopEdit->text().isEmpty() ? ui.inputTopEdit->placeholderText() : ui.inputTopEdit->text()); // Connect the GUI elements to the correct slots connect(ui.jobScriptEdit, SIGNAL(textChanged(QString)), this, SLOT(setScriptName())); connect(ui.inputCoordEdit, SIGNAL(textChanged(QString)), this, SLOT(setInputCoordName())); connect(ui.forceFieldCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setForceField(int))); connect(ui.constraintsCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setConstraintType(int))); connect(ui.waterModelCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setWaterModelType(int))); connect(ui.nonBondedMethodCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setNonBondedType(int))); connect(ui.integratorCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setIntegratorType(int))); connect(ui.barostatCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setBarostatType(int))); connect(ui.inputTopEdit, SIGNAL(textChanged(QString)), this, SLOT(setTopologyName())); connect(ui.rigidWaterCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setRigidWater(int))); connect(ui.temperatureSpin, SIGNAL(valueChanged(double)), this, SLOT(setTemperature(double))); connect(ui.generationTemperatureSpin, SIGNAL(valueChanged(double)), this, SLOT(setGenerationTemperature(double))); connect(ui.nonBondedCutoffSpin, SIGNAL(valueChanged(double)), this, SLOT(setNonBondedCutoff(double))); connect(ui.stepSpin, SIGNAL(valueChanged(double)), this, SLOT(setTimeStep(double))); connect(ui.ewaldToleranceSpin, SIGNAL(valueChanged(double)), this, SLOT(setEwaldTolerance(double))); connect(ui.constraintToleranceSpin, SIGNAL(valueChanged(double)), this, SLOT(setConstraintTolerance(double))); connect(ui.reportIntervalSpin, SIGNAL(valueChanged(int)), this, SLOT(setReportInterval(int))); connect(ui.equilibriationStepsSpin, SIGNAL(valueChanged(int)), this, SLOT(setEquilibriationSteps(int))); connect(ui.productionStepsSpin, SIGNAL(valueChanged(int)), this, SLOT(setProductionSteps(int))); connect(ui.deviceIndexSpin, SIGNAL(valueChanged(int)), this, SLOT(setDeviceIndex(int))); connect(ui.openCLIndexSpin, SIGNAL(valueChanged(int)), this, SLOT(setOpenCLPlatformIndex(int))); connect(ui.errorTolSpin, SIGNAL(valueChanged(double)), this, SLOT(setErrorTolerance(double))); connect(ui.collisionRateSpin, SIGNAL(valueChanged(double)), this, SLOT(setCollisionRate(double))); connect(ui.pressureSpin, SIGNAL(valueChanged(double)), this, SLOT(setPressure(double))); connect(ui.barostatIntervalSpin, SIGNAL(valueChanged(int)), this, SLOT(setBarostatInterval(int))); connect(ui.minimizeCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setMinimize(int))); connect(ui.minimizeStepsSpin, SIGNAL(valueChanged(int)), this, SLOT(setMinimizeSteps(int))); connect(ui.initVelCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setVelocityDistRandom(int))); connect(ui.platformCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setPlatformType(int))); connect(ui.precisionCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(setPrecisionType(int))); connect(ui.dcdCheck, SIGNAL(toggled(bool)), this, SLOT(setDCDReporter(bool))); connect(ui.pdbCheck, SIGNAL(toggled(bool)), this, SLOT(setPDBReporter(bool))); connect(ui.stateDataCheck, SIGNAL(toggled(bool)), this, SLOT(setStateDataReporter(bool))); connect(ui.stepIndexCheck, SIGNAL(toggled(bool)), this, SLOT(setStepIndexBoolean(bool))); connect(ui.timeCheck, SIGNAL(toggled(bool)), this, SLOT(setTimeBoolean(bool))); connect(ui.speedCheck, SIGNAL(toggled(bool)), this, SLOT(setSpeedBoolean(bool))); connect(ui.progressCheck, SIGNAL(toggled(bool)), this, SLOT(setProgressBoolean(bool))); connect(ui.potentialEnergyCheck, SIGNAL(toggled(bool)), this, SLOT(setPotentialEnergyBoolean(bool))); connect(ui.kineticEnergyCheck, SIGNAL(toggled(bool)), this, SLOT(setKineticEnergyBoolean(bool))); connect(ui.totalEnergyCheck, SIGNAL(toggled(bool)), this, SLOT(setTotalEnergyBoolean(bool))); connect(ui.temperatureCheck, SIGNAL(toggled(bool)), this, SLOT(setTemperatureBoolean(bool))); connect(ui.volumeCheck, SIGNAL(toggled(bool)), this, SLOT(setVolumeBoolean(bool))); connect(ui.densityCheck, SIGNAL(toggled(bool)), this, SLOT(setDensityBoolean(bool))); connect(ui.generateButton, SIGNAL(clicked()), this, SLOT(generateClicked())); connect(ui.resetButton, SIGNAL(clicked()), this, SLOT(resetClicked())); connect(ui.enableFormButton, SIGNAL(clicked()), this, SLOT(enableFormClicked())); QSettings settings; readSettings(settings); resetClicked(); // Generate an initial preview of the input deck updatePreviewText(); addMoleculeDataTab(); } OpenMMInputDialog::~OpenMMInputDialog() { QSettings settings; writeSettings(settings); } void OpenMMInputDialog::showEvent(QShowEvent*) { updatePreviewText(); addMoleculeDataTab(); } void OpenMMInputDialog::updatePreviewText() { if (!isVisible()) return; int jobTabPosition = 0; // Store the currently displayed tab int currIndex = ui.tabWidget->currentIndex(); // Generate the input deck and display it if (m_dirty) { QString message = tr("Would you like to update the preview text, losing all " "changes made in the OpenMM input deck preview pane?"); int response = QMessageBox::question( this, tr("Overwrite modified input files?"), message, QMessageBox::Yes | QMessageBox::No, QMessageBox::No); if (static_cast(response) == QMessageBox::No) { return; } } ui.tabWidget->removeTab(jobTabPosition); m_jobEdit = new QTextEdit(this); m_jobEdit->setObjectName(m_jobFileName); m_jobEdit->setFontFamily("monospace"); connect(m_jobEdit, SIGNAL(textChanged()), this, SLOT(textEditModified())); m_jobEdit->setText(generateInputDeck()); ui.tabWidget->insertTab(jobTabPosition, m_jobEdit, m_jobFileName); deckDirty(false); // Restore current tab ui.tabWidget->setCurrentIndex(currIndex); } void OpenMMInputDialog::addMoleculeDataTab() { int molTabPosition = 1; if (m_molecule) { ui.tabWidget->removeTab(molTabPosition); std::string molOutput, extension = m_inputCoordFileName.split(".").back().toStdString(); bool writeSDF = Io::FileFormatManager::instance().writeString( *m_molecule, molOutput, extension); if (writeSDF) { m_moleculeEdit = new QTextEdit(this); m_moleculeEdit->setObjectName(m_inputCoordFileName); m_moleculeEdit->setFontFamily("monospace"); m_moleculeEdit->setText(QString::fromStdString(molOutput)); ui.tabWidget->insertTab(molTabPosition, m_moleculeEdit, m_inputCoordFileName); } } } void OpenMMInputDialog::textEditModified() { if (auto* edit = qobject_cast(sender())) { if (edit->document()->isModified()) { deckDirty(true); } else { deckDirty(false); } } } void OpenMMInputDialog::resetClicked() { // Reset the form to defaults deckDirty(false); // 1st subdivision ui.precisionCombo->setCurrentIndex(1); ui.forceFieldCombo->setCurrentIndex(2); ui.waterModelCombo->setCurrentIndex(1); ui.platformCombo->setCurrentIndex(3); setPlatformType(3); // 2nd subdivision ui.ewaldToleranceSpin->setValue(0.0005); ui.constraintToleranceSpin->setValue(0.00001); ui.nonBondedCutoffSpin->setValue(1.0); ui.generationTemperatureSpin->setValue(298.15); ui.nonBondedMethodCombo->setCurrentIndex(4); setNonBondedType(4); ui.constraintsCombo->setCurrentIndex(1); setConstraintType(1); ui.rigidWaterCombo->setCurrentIndex(0); setRigidWater(0); ui.initVelCombo->setCurrentIndex(0); setVelocityDistRandom(0); // 3rd subdivision ui.stepSpin->setValue(2.0); ui.errorTolSpin->setValue(0.0001); ui.collisionRateSpin->setValue(1.0); ui.temperatureSpin->setValue(298.15); ui.pressureSpin->setValue(1.0); ui.barostatIntervalSpin->setValue(25); ui.barostatCombo->setCurrentIndex(0); setBarostatType(0); ui.integratorCombo->setCurrentIndex(0); setIntegratorType(0); // 4th subdivision ui.minimizeCombo->setCurrentIndex(0); ui.reportIntervalSpin->setValue(1000); ui.minimizeStepsSpin->setValue(1000); ui.productionStepsSpin->setValue(1000); ui.equilibriationStepsSpin->setValue(100); ui.stepIndexCheck->setChecked(true); ui.timeCheck->setChecked(false); ui.speedCheck->setChecked(true); ui.progressCheck->setChecked(true); ui.potentialEnergyCheck->setChecked(true); ui.kineticEnergyCheck->setChecked(false); ui.totalEnergyCheck->setChecked(false); ui.temperatureCheck->setChecked(true); ui.volumeCheck->setChecked(false); ui.densityCheck->setChecked(false); // Unfortunately, setChecked() does not emit toggled() signal // So the slots have to be invoked setStepIndexBoolean(true); setTimeBoolean(false); setSpeedBoolean(true); setProgressBoolean(true); setPotentialEnergyBoolean(true); setKineticEnergyBoolean(false); setTotalEnergyBoolean(false); setTemperatureBoolean(true); setVolumeBoolean(false); setDensityBoolean(false); ui.stateDataCheck->setChecked(true); ui.dcdCheck->setChecked(true); ui.pdbCheck->setChecked(false); updatePreviewText(); addMoleculeDataTab(); } void OpenMMInputDialog::generateClicked() { QSettings settings; QString directory = settings.value("openmmInput/outputDirectory", QDir::homePath()).toString(); if (directory.isEmpty()) directory = QDir::homePath(); directory = QFileDialog::getExistingDirectory( this, tr("Select output directory"), directory); // User cancel: if (directory.isNull()) return; settings.setValue("openmmInput/outputDirectory", directory); QDir dir(directory); // Check for problems: QStringList errors; bool fatalError = false; do { // Do/while to break on fatal errors if (!dir.exists()) { errors << tr("%1: Directory does not exist!").arg(dir.absolutePath()); fatalError = true; break; } if (!dir.isReadable()) { errors << tr("%1: Directory cannot be read!").arg(dir.absolutePath()); fatalError = true; break; } QFileInfo jobFileInfo(dir.absoluteFilePath(m_jobFileName)); if (jobFileInfo.exists()) { errors << tr("%1: File will be overwritten.") .arg(jobFileInfo.absoluteFilePath()); } // Attempt to open the file for writing if (!QFile(jobFileInfo.absoluteFilePath()).open(QFile::WriteOnly)) { errors << tr("%1: File is not writable.").arg(jobFileInfo.absoluteFilePath()); fatalError = true; break; } QFileInfo molFileInfo(dir.absoluteFilePath(m_inputCoordFileName)); if (molFileInfo.exists()) { errors << tr("%1: File will be overwritten.") .arg(molFileInfo.absoluteFilePath()); } // Attempt to open the file for writing if (!QFile(molFileInfo.absoluteFilePath()).open(QFile::WriteOnly)) { errors << tr("%1: File is not writable.").arg(molFileInfo.absoluteFilePath()); fatalError = true; break; } } while (false); // only run once // Handle fatal errors: if (fatalError) { QString formattedError; switch (errors.size()) { case 0: formattedError = tr("The input files cannot be written due to an unknown error."); break; case 1: formattedError = tr("The input files cannot be written:\n\n%1").arg(errors.first()); break; default: { // If a fatal error occurred, it will be last one in the list. Pop it off // and tell the user that it was the reason we had to stop. QString fatal = errors.last(); QStringList tmp(errors); tmp.pop_back(); formattedError = tr("The input files cannot be written:\n\n%1\n\nWarnings:\n\n%2") .arg(fatal, tmp.join("\n")); break; } } QMessageBox::critical(this, tr("Output Error"), formattedError); return; } // Non-fatal errors: if (!errors.isEmpty()) { QString formattedError = tr("Warning:\n\n%1\n\nWould you like to continue?") .arg(errors.join("\n")); QMessageBox::StandardButton reply = QMessageBox::warning(this, tr("Write input files"), formattedError, QMessageBox::Yes | QMessageBox::No, QMessageBox::No); if (reply != QMessageBox::Yes) return; } bool success = false; if (m_jobEdit && m_moleculeEdit) { QFile jobFile(dir.absoluteFilePath(m_jobFileName)); if (jobFile.open(QFile::WriteOnly | QFile::Text)) { if (jobFile.write(m_jobEdit->toPlainText().toLocal8Bit()) > 0) { success = true; } jobFile.close(); } if (!success) { QMessageBox::critical( this, tr("Output Error"), tr("Failed to write to file %1.").arg(jobFile.fileName())); } QFile molFile(dir.absoluteFilePath(m_inputCoordFileName)); if (molFile.open(QFile::WriteOnly | QFile::Text)) { if (molFile.write(m_moleculeEdit->toPlainText().toLocal8Bit()) > 0) { success = true; } molFile.close(); } if (!success) { QMessageBox::critical( this, tr("Output Error"), tr("Failed to write to file %1.").arg(molFile.fileName())); } } } void OpenMMInputDialog::enableFormClicked() { updatePreviewText(); } void OpenMMInputDialog::setScriptName() { m_jobFileName = (ui.jobScriptEdit->text().isEmpty() ? ui.jobScriptEdit->placeholderText() : ui.jobScriptEdit->text()) + ".py"; updatePreviewText(); } void OpenMMInputDialog::setInputCoordName() { ui.inputCoordEdit->setStyleSheet(""); m_inputCoordFileName = (ui.inputCoordEdit->text().isEmpty() ? ui.inputCoordEdit->placeholderText() : ui.inputCoordEdit->text()); QString ext = m_inputCoordFileName.split(".").back(); if (ext == tr("inpcrd") || ext == tr("gro")) { ui.forceFieldCombo->setEnabled(false); ui.inputTopEdit->setEnabled(true); if (ext == tr("inpcrd")) ui.inputTopEdit->setPlaceholderText(tr("input.prmtop")); else if (ext == tr("gro")) { ui.inputTopEdit->setPlaceholderText(tr("input.top")); } updatePreviewText(); } else if (ext == tr("pdb")) { ui.forceFieldCombo->setEnabled(true); ui.inputTopEdit->setEnabled(false); updatePreviewText(); } else { ui.forceFieldCombo->setEnabled(false); ui.inputTopEdit->setEnabled(false); ui.inputCoordEdit->setStyleSheet("color: #FF0000"); } addMoleculeDataTab(); } void OpenMMInputDialog::setTopologyName() { ui.inputCoordEdit->setStyleSheet(""); m_topologyFileName = (ui.inputTopEdit->text().isEmpty() ? ui.inputTopEdit->placeholderText() : ui.inputTopEdit->text()); QString ext = m_topologyFileName.split(".").back(); QString extCoord = m_inputCoordFileName.split(".").back(); if (extCoord == tr("inpcrd")) { if (ext != tr("prmtop")) { ui.inputCoordEdit->setStyleSheet("color: #FF0000"); } } else if (extCoord == tr("gro")) { if (ext != tr("top")) { ui.inputCoordEdit->setStyleSheet("color: #FF0000"); } } updatePreviewText(); } void OpenMMInputDialog::setForceField(int n) { m_forceFieldType = (OpenMMInputDialog::forceFieldType)n; ui.forceFieldCombo->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setConstraintType(int n) { m_constraintType = static_cast(n); ui.constraintsCombo->setEnabled(true); if (m_constraintType == None) { ui.constraintToleranceSpin->setEnabled(false); } else { ui.constraintToleranceSpin->setEnabled(true); } updatePreviewText(); } void OpenMMInputDialog::setWaterModelType(int n) { m_waterModelType = static_cast(n); ui.waterModelCombo->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setNonBondedType(int n) { m_nonBondedType = static_cast(n); ui.nonBondedMethodCombo->setEnabled(true); if (m_nonBondedType == NoCutoff) { ui.nonBondedCutoffSpin->setEnabled(false); ui.ewaldToleranceSpin->setEnabled(false); } else if (m_nonBondedType == CutoffPeriodic || m_nonBondedType == CutoffNonPeriodic) { ui.nonBondedCutoffSpin->setEnabled(true); ui.ewaldToleranceSpin->setEnabled(false); } else if (m_nonBondedType == Ewald || m_nonBondedType == PME) { ui.nonBondedCutoffSpin->setEnabled(true); ui.ewaldToleranceSpin->setEnabled(true); } updatePreviewText(); } void OpenMMInputDialog::setIntegratorType(int n) { m_integratorType = static_cast(n); ui.integratorCombo->setEnabled(true); if (m_integratorType == Langevin || m_integratorType == Brownian || m_integratorType == VariableLangevin) { if (m_integratorType == Langevin || m_integratorType == Brownian) { ui.stepSpin->setEnabled(true); ui.errorTolSpin->setEnabled(false); } else if (m_integratorType == VariableLangevin) { ui.stepSpin->setEnabled(false); ui.errorTolSpin->setEnabled(true); } ui.collisionRateSpin->setEnabled(true); ui.temperatureSpin->setEnabled(true); ui.barostatCombo->setEnabled(true); if (m_barostatType == NoBarostat) { ui.pressureSpin->setEnabled(false); ui.barostatIntervalSpin->setEnabled(false); } else { ui.pressureSpin->setEnabled(true); ui.barostatIntervalSpin->setEnabled(true); } } else if (m_integratorType == Verlet || m_integratorType == VariableVerlet) { if (m_integratorType == Verlet) { ui.stepSpin->setEnabled(true); ui.errorTolSpin->setEnabled(false); } else if (m_integratorType == VariableVerlet) { ui.stepSpin->setEnabled(false); ui.errorTolSpin->setEnabled(true); } ui.collisionRateSpin->setEnabled(false); ui.temperatureSpin->setEnabled(false); ui.barostatCombo->setEnabled(false); ui.pressureSpin->setEnabled(false); ui.barostatIntervalSpin->setEnabled(false); } updatePreviewText(); } void OpenMMInputDialog::setBarostatType(int n) { m_barostatType = static_cast(n); ui.barostatCombo->setEnabled(true); if (m_barostatType == NoBarostat) { ui.pressureSpin->setEnabled(false); ui.barostatIntervalSpin->setEnabled(false); } else { ui.pressureSpin->setEnabled(true); ui.barostatIntervalSpin->setEnabled(true); } updatePreviewText(); } void OpenMMInputDialog::setMolecule(QtGui::Molecule* molecule) { // Disconnect the old molecule first... if (molecule == m_molecule) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = molecule; // Update the preview text whenever primitives are changed connect(molecule, SIGNAL(changed(unsigned int)), SLOT(updatePreviewText())); updatePreviewText(); } void OpenMMInputDialog::setRigidWater(int n) { m_rigidWater = n; ui.rigidWaterCombo->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setMinimize(int n) { m_minimize = n; ui.minimizeCombo->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setMinimizeSteps(int n) { m_minimizeSteps = n; ui.minimizeStepsSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setTemperature(double n) { m_temperature = n; ui.temperatureSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setNonBondedCutoff(double n) { m_nonBondedCutoff = n; ui.nonBondedCutoffSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setTimeStep(double n) { m_timeStep = n; ui.stepSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setEwaldTolerance(double n) { m_ewaldTolerance = n; ui.ewaldToleranceSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setConstraintTolerance(double n) { m_constraintTolerance = n; ui.constraintToleranceSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setReportInterval(int n) { m_reportInterval = n; ui.reportIntervalSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setEquilibriationSteps(int n) { m_equilibriationSteps = n; ui.equilibriationStepsSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setProductionSteps(int n) { m_productionSteps = n; ui.productionStepsSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setDeviceIndex(int n) { m_deviceIndex = n; ui.deviceIndexSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setOpenCLPlatformIndex(int n) { m_openclPlatformIndex = n; ui.openCLIndexSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setErrorTolerance(double n) { m_errorTolerance = n; ui.errorTolSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setCollisionRate(double n) { m_collisionRate = n; ui.collisionRateSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setPressure(double n) { m_pressure = n; ui.pressureSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setBarostatInterval(int n) { m_barostatInterval = n; ui.barostatIntervalSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setVelocityDistRandom(int n) { m_velocityDistRandom = n; ui.initVelCombo->setEnabled(true); if (m_velocityDistRandom == 1) { ui.generationTemperatureSpin->setEnabled(false); } else { ui.generationTemperatureSpin->setEnabled(true); } updatePreviewText(); } void OpenMMInputDialog::setGenerationTemperature(double n) { m_generationTemperature = n; ui.generationTemperatureSpin->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setDCDReporter(bool state) { m_DCDReporter = state; ui.dcdCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setPDBReporter(bool state) { m_PDBReporter = state; ui.pdbCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setStepIndexBoolean(bool state) { m_stepIndex = state; ui.stepIndexCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setTimeBoolean(bool state) { m_time = state; ui.timeCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setSpeedBoolean(bool state) { m_speed = state; ui.speedCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setProgressBoolean(bool state) { m_progress = state; ui.progressCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setPotentialEnergyBoolean(bool state) { m_potentialEnergy = state; ui.potentialEnergyCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setKineticEnergyBoolean(bool state) { m_kineticEnergy = state; ui.kineticEnergyCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setTotalEnergyBoolean(bool state) { m_totalEnergy = state; ui.totalEnergyCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setTemperatureBoolean(bool state) { m_temperature = state; ui.temperatureCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setVolumeBoolean(bool state) { m_volume = state; ui.volumeCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setDensityBoolean(bool state) { m_density = state; ui.densityCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setStateDataReporter(bool state) { ui.stepIndexCheck->setEnabled(state); ui.timeCheck->setEnabled(state); ui.speedCheck->setEnabled(state); ui.progressCheck->setEnabled(state); ui.potentialEnergyCheck->setEnabled(state); ui.kineticEnergyCheck->setEnabled(state); ui.totalEnergyCheck->setEnabled(state); ui.temperatureCheck->setEnabled(state); ui.volumeCheck->setEnabled(state); ui.densityCheck->setEnabled(state); m_stateDataReporter = state; ui.stateDataCheck->setEnabled(true); updatePreviewText(); } void OpenMMInputDialog::setPlatformType(int n) { m_platformType = static_cast(n); ui.platformCombo->setEnabled(true); if (m_platformType == Reference || m_platformType == CPU) { ui.precisionCombo->setEnabled(false); ui.deviceIndexSpin->setEnabled(false); ui.openCLIndexSpin->setEnabled(false); } else { ui.precisionCombo->setEnabled(true); ui.deviceIndexSpin->setEnabled(true); if (m_platformType == OpenCL) ui.openCLIndexSpin->setEnabled(true); else ui.openCLIndexSpin->setEnabled(false); } updatePreviewText(); } void OpenMMInputDialog::setPrecisionType(int n) { m_precisionType = static_cast(n); ui.precisionCombo->setEnabled(true); updatePreviewText(); } QString OpenMMInputDialog::generateInputDeck() { // Generate an input deck based on the settings of the dialog QString buffer; QTextStream scriptStream(&buffer); scriptStream << "############################################################" "##############\n"; scriptStream << "# OpenMM input script generated by Avogadro.\n"; scriptStream << "# Builder adapted from OpenMM script builder " "http://builder.openmm.org.\n"; scriptStream << "############################################################" "##############\n\n"; scriptStream << "from __future__ import print_function\n"; scriptStream << "from simtk.openmm import app\n"; scriptStream << "import simtk.openmm as mm\n"; scriptStream << "from simtk import unit\n"; scriptStream << "from sys import stdout\n"; // first two or three lines, that load up the FF and the pdb // these lines end with the start of the function something.createSystem( QString ext = m_inputCoordFileName.split(".").back(); if (ext == tr("pdb")) { scriptStream << "\npdb = app.PDBFile(\'" << m_inputCoordFileName << "\')\n"; scriptStream << "forcefield = app.ForceField(\'" << getForceFieldType(m_forceFieldType) << ".xml\'"; scriptStream << ", \'" << getWaterModelType(m_waterModelType) << ".xml\'"; scriptStream << ")\n\n"; scriptStream << "system = forcefield.createSystem(pdb.topology, "; } else if (ext == tr("inpcrd")) { scriptStream << "\nprmtop = app.AmberPrmtopFile(\'" << m_topologyFileName << "\')\n"; scriptStream << "inpcrd = app.AmberInpcrdFile(\'" << m_inputCoordFileName << "\')\n\n"; scriptStream << "system = prmtop.createSystem("; if (m_waterModelType == implicit) { scriptStream << "implicitSolvent=app.OBC2, "; } } else if (ext == tr("gro")) { scriptStream << "\ngro = app.GromacsGroFile(\'" << m_inputCoordFileName << "\')\n"; scriptStream << "top = app.GromacsTopFile(\'" << m_topologyFileName << "\')\n\n"; scriptStream << "system = top.createSystem("; if (m_waterModelType == implicit) { scriptStream << "implicitSolvent=app.OBC2, "; } } else { // TODO } // options for the system scriptStream << "nonbondedMethod=" << "app." << getNonBondedType(m_nonBondedType) << ","; if (m_nonBondedCutoff > 0) { scriptStream << " nonbondedCutoff=" << Qt::fixed << qSetRealNumberPrecision(4) << m_nonBondedCutoff << "*unit.nanometers,"; } if (m_constraintType == None) { scriptStream << " constraints=" << getConstraintType(m_constraintType); } else { scriptStream << " constraints=" << "app." << getConstraintType(m_constraintType); } scriptStream << ", rigidWater=" << getRigidWater(m_rigidWater); if (m_nonBondedType == Ewald || m_nonBondedType == PME) { scriptStream << ", ewaldErrorTolerance=" << Qt::fixed << qSetRealNumberPrecision(5) << m_ewaldTolerance; } scriptStream << ")\n"; // set the integrator scriptStream << "integrator = mm." << getIntegratorType(m_integratorType) << "Integrator("; if (m_integratorType == Langevin || m_integratorType == Brownian) { scriptStream << m_temperature << "*unit.kelvin, "; scriptStream << m_collisionRate << "/unit.picoseconds, "; } if (m_integratorType == VariableLangevin || m_integratorType == VariableVerlet) { scriptStream << m_errorTolerance << ")\n"; } else { scriptStream << m_timeStep << "*unit.femtoseconds)\n"; } if (m_constraintType != None && m_constraintTolerance > 0) { scriptStream << "integrator.setConstraintTolerance(" << m_constraintTolerance << ")\n"; } // add a barostat if (m_barostatType == MonteCarlo) { scriptStream << "system.addForce(mm.MonteCarloBarostat(" << m_pressure << "*unit.atmospheres"; scriptStream << ", " << m_temperature << "*unit.kelvin"; if (m_barostatInterval > 0) { scriptStream << ", " << m_barostatInterval; } scriptStream << "))\n"; } // // add a thermostat // if (m_thermostatType == Andersen) { // scriptStream << "system.addForce(mm.AndersenThermostat(" << // m_temperature << "*unit.kelvin"; scriptStream << ", " << // m_collisionRate << "/unit.picoseconds" << "))\n"; // } scriptStream << "\n"; // set the platform options scriptStream << "platform = mm.Platform.getPlatformByName(\'" << getPlatformType(m_platformType) << "\')\n"; if (m_platformType == CUDA) { scriptStream << R"(properties = {'CudaPrecision': ')" << getPrecisionType(m_precisionType) << "\'"; if (m_deviceIndex > 0) { scriptStream << R"(, 'CudaDeviceIndex': ')" << m_deviceIndex << "\'"; } scriptStream << "}\n"; } else if (m_platformType == OpenCL) { scriptStream << R"(properties = {'OpenCLPrecision': ')" << getPrecisionType(m_precisionType) << "\'"; if (m_openclPlatformIndex > 0) { scriptStream << R"(, 'OpenCLPlatformIndex': ')" << m_openclPlatformIndex << "\'"; } if (m_deviceIndex > 0) { scriptStream << ", "; if (m_openclPlatformIndex > 0) { scriptStream << "\n "; } scriptStream << R"('OpenCLDeviceIndex': ')" << m_deviceIndex << "\'"; } scriptStream << "}\n"; } // create the simulation object scriptStream << "simulation = app.Simulation(" << (ext == tr("pdb") ? "pdb" : "prmtop") << ".topology, system, integrator, platform"; if (m_platformType == CUDA || m_platformType == OpenCL) { scriptStream << ", properties"; } scriptStream << ")\n"; if (ext == tr("pdb")) { scriptStream << "simulation.context.setPositions(pdb.positions)\n\n"; } else if (ext == tr("inpcrd")) { scriptStream << "simulation.context.setPositions(inpcrd.positions)\n\n"; } else if (ext == tr("gro")) { scriptStream << "simulation.context.setPositions(gro.positions)\n\n"; } else { // TODO } // minimize if (getMinimize(m_minimize) == tr("True")) { scriptStream << "print('Minimizing...\')\n"; if (m_minimizeSteps == 0) { scriptStream << "simulation.minimizeEnergy()\n"; } else { scriptStream << "simulation.minimizeEnergy(maxIterations=" << m_minimizeSteps << ")\n"; } } if (getVelocityDistRandom(m_velocityDistRandom) == tr("True")) { scriptStream << "\nsimulation.context.setVelocitiesToTemperature(" << m_generationTemperature << "*unit.kelvin)\n"; } // equilibrate if (m_equilibriationSteps > 0) { scriptStream << "print(\'Equilibrating...\')\n"; scriptStream << "simulation.step(" << m_equilibriationSteps << ")\n\n"; } // add reporters // if (d.simulation.dcd_reporter == 'True' && // d.simulation.statedata_opts.length > 0) { if (m_DCDReporter) { scriptStream << "simulation.reporters.append(app.DCDReporter(\'trajectory.dcd\'"; scriptStream << ", " << m_reportInterval << "))\n"; scriptStream << "\n"; } if (m_PDBReporter) { scriptStream << "simulation.reporters.append(app.PDBReporter(\'trajectory.pdb\'"; scriptStream << ", " << m_reportInterval << "))\n"; scriptStream << "\n"; } if (m_stateDataReporter) { scriptStream << "simulation.reporters.append(app.StateDataReporter("; scriptStream << "stdout"; scriptStream << ", " << m_reportInterval; if (m_stepIndex) scriptStream << ", step=True"; if (m_time) scriptStream << ", time=True"; if (m_potentialEnergy) scriptStream << ", potentialEnergy=True"; if (m_kineticEnergy) scriptStream << ", kineticEnergy=True"; if (m_totalEnergy) scriptStream << ", totalEnergy=True"; if (m_temperatureCheck) scriptStream << ", temperature=True"; if (m_volume) scriptStream << ", volume=True"; if (m_density) scriptStream << ", density=True"; if (m_progress) scriptStream << ", progress=True, remainingTime=True"; if (m_speed) scriptStream << ", speed=True"; // if using progress (which also implies remaining time), totalSteps // is required. if (m_progress) scriptStream << ", totalSteps=" << m_productionSteps; scriptStream << ", separator=\'\\t\'))\n"; scriptStream << "\n"; } // run scriptStream << "print(\'Running Production...\')\n"; scriptStream << "simulation.step(" << m_productionSteps << ")\n"; scriptStream << "print(\'Done!\')\n"; return buffer; } QString OpenMMInputDialog::getForceFieldType(forceFieldType t) { // Translate the enum to text for the output generation switch (t) { case amber96: return "amber96"; case amber99sb: return "amber99sb"; case amber99sbildn: return "amber99sbildn"; case amber99sbnmr: return "amber99sbnmr"; case amber03: return "amber03"; case amber10: return "amber10"; default: return "amber99sbildn"; } } QString OpenMMInputDialog::getImplicitSolventType(forceFieldType t) { // Translate the enum to text for the output generation switch (t) { case amber96: return "amber96_obc"; case amber99sb: return "amber99_obc"; case amber99sbildn: return "amber99_obc"; case amber99sbnmr: return "amber99_obc"; case amber03: return "amber03_obc"; case amber10: return "amber10_obc"; default: return "amber99_obc"; } } QString OpenMMInputDialog::getConstraintType(constraintType t) { switch (t) { case None: return "None"; case HBonds: return "HBonds"; case AllBonds: return "AllBonds"; case HAngles: return "HAngles"; default: return "HBonds"; } } QString OpenMMInputDialog::getWaterModelType(waterModelType t) { switch (t) { case spce: return "spce"; case tip3p: return "tip3p"; case tip4pew: return "tip4pew"; case tip5p: return "tip5p"; case implicit: return getImplicitSolventType(m_forceFieldType); default: return "tip3p"; } } QString OpenMMInputDialog::getNonBondedType(nonBondedType t) { switch (t) { case NoCutoff: return "NoCutoff"; case CutoffNonPeriodic: return "CutoffNonPeriodic"; case CutoffPeriodic: return "CutoffPeriodic"; case Ewald: return "Ewald"; case PME: return "PME"; default: return "PME"; } } QString OpenMMInputDialog::getIntegratorType(integratorType t) { switch (t) { case Langevin: return "Langevin"; case Verlet: return "Verlet"; case Brownian: return "Brownian"; case VariableVerlet: return "VariableVerlet"; case VariableLangevin: return "VariableLangevin"; default: return "Langevin"; } } QString OpenMMInputDialog::getBarostatType(barostatType t) { switch (t) { case NoBarostat: return "None"; case MonteCarlo: return "MonteCarlo"; default: return "None"; } } QString OpenMMInputDialog::getRigidWater(int t) { switch (t) { case 0: return "True"; case 1: return "False"; default: return "False"; } } QString OpenMMInputDialog::getVelocityDistRandom(int t) { switch (t) { case 0: return "True"; case 1: return "False"; default: return "True"; } } QString OpenMMInputDialog::getPlatformType(platformType t) { switch (t) { case Reference: return "Reference"; case OpenCL: return "OpenCL"; case CUDA: return "CUDA"; case CPU: return "CPU"; default: return "CUDA"; } } QString OpenMMInputDialog::getPrecisionType(precisionType t) { switch (t) { case singlePrecision: return "single"; case mixedPrecision: return "mixed"; case doublePrecision: return "double"; default: return "mixed"; } } QString OpenMMInputDialog::getMinimize(int t) { switch (t) { case 0: return "True"; case 1: return "False"; default: return "True"; } } void OpenMMInputDialog::deckDirty(bool dirty) { m_dirty = dirty; // ui.titleLine->setEnabled(!dirty); // ui.calculationCombo->setEnabled(!dirty); // ui.theoryCombo->setEnabled(!dirty); // ui.basisCombo->setEnabled(!dirty); // ui.multiplicitySpin->setEnabled(!dirty); // ui.chargeSpin->setEnabled(!dirty); ui.enableFormButton->setEnabled(dirty); } void OpenMMInputDialog::readSettings(QSettings& settings) { m_savePath = settings.value("openmm/savepath").toString(); } void OpenMMInputDialog::writeSettings(QSettings& settings) const { settings.setValue("openmm/savepath", m_savePath); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/openmminput/openmminputdialog.h000066400000000000000000000126171474375334400264610ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef OPENMMINPUTDIALOG_H #define OPENMMINPUTDIALOG_H #include "ui_openmminputdialog.h" #include #include class QJsonObject; class QTextEdit; namespace Avogadro { namespace QtGui { class Molecule; } namespace QtPlugins { class OpenMMInputDialog : public QDialog { Q_OBJECT public: explicit OpenMMInputDialog(QWidget* parent = nullptr, Qt::WindowFlags flag = Qt::WindowFlags()); ~OpenMMInputDialog(); void readSettings(QSettings&); void writeSettings(QSettings&) const; enum forceFieldType { amber96, amber99sb, amber99sbildn, amber99sbnmr, amber03, amber10 }; enum waterModelType { spce, tip3p, tip4pew, tip5p, implicit }; enum nonBondedType { NoCutoff, CutoffNonPeriodic, CutoffPeriodic, Ewald, PME }; enum constraintType { None, HBonds, AllBonds, HAngles }; enum integratorType { Langevin, Verlet, Brownian, VariableLangevin, VariableVerlet }; enum barostatType { NoBarostat, MonteCarlo }; enum platformType { Reference, OpenCL, CPU, CUDA }; enum precisionType { singlePrecision, mixedPrecision, doublePrecision }; void setMolecule(QtGui::Molecule* molecule); protected: /** * Reimplemented to update the dialog when it is shown */ void showEvent(QShowEvent* event); private: Ui::OpenMMInputDialog ui; QtGui::Molecule* m_molecule; // QString m_title; QString m_readData; forceFieldType m_forceFieldType; QString m_title; QString m_savePath; waterModelType m_waterModelType; nonBondedType m_nonBondedType; constraintType m_constraintType; integratorType m_integratorType; barostatType m_barostatType; int m_deviceIndex; int m_openclPlatformIndex; int m_rigidWater; double m_temperature; double m_generationTemperature; double m_nonBondedCutoff; double m_timeStep; double m_ewaldTolerance; double m_constraintTolerance; int m_reportInterval; int m_equilibriationSteps; int m_productionSteps; double m_errorTolerance; double m_collisionRate; double m_pressure; int m_barostatInterval; QString m_dumpXYZ; int m_dumpStep; int m_velocityDistRandom; platformType m_platformType; precisionType m_precisionType; int m_thermoInterval; int m_minimize; int m_minimizeSteps; bool m_DCDReporter; bool m_PDBReporter; bool m_stateDataReporter; bool m_stepIndex; bool m_time; bool m_speed; bool m_progress; bool m_potentialEnergy; bool m_kineticEnergy; bool m_totalEnergy; bool m_temperatureCheck; bool m_volume; bool m_density; QString m_output; bool m_dirty; bool m_warned; bool readData; QTextEdit* m_jobEdit; QTextEdit* m_moleculeEdit; QString m_inputCoordFileName; QString m_topologyFileName; QString m_jobFileName; // Generate an input deck as a string QString generateInputDeck(); // Translate enums to strings QString getForceFieldType(forceFieldType t); QString getImplicitSolventType(forceFieldType t); QString getConstraintType(constraintType t); QString getWaterModelType(waterModelType t); QString getNonBondedType(nonBondedType t); QString getIntegratorType(integratorType t); QString getBarostatType(barostatType t); QString getRigidWater(int t); QString getVelocityDistRandom(int t); QString getPlatformType(platformType t); QString getPrecisionType(precisionType t); QString getMinimize(int t); // Enable/disable form elements void deckDirty(bool); void addMoleculeDataTab(); public Q_SLOTS: void updatePreviewText(); private Q_SLOTS: //! Button Slots void textEditModified(); void resetClicked(); void generateClicked(); void enableFormClicked(); void setScriptName(); void setInputCoordName(); void setTopologyName(); void setForceField(int); void setConstraintType(int); void setWaterModelType(int); void setNonBondedType(int); void setIntegratorType(int); void setBarostatType(int); void setRigidWater(int); void setTemperature(double); void setGenerationTemperature(double); void setNonBondedCutoff(double); void setTimeStep(double); void setEwaldTolerance(double); void setConstraintTolerance(double); void setReportInterval(int); void setEquilibriationSteps(int); void setProductionSteps(int); void setDeviceIndex(int); void setOpenCLPlatformIndex(int); void setErrorTolerance(double); void setCollisionRate(double); void setPressure(double); void setBarostatInterval(int); void setVelocityDistRandom(int); void setDCDReporter(bool); void setPDBReporter(bool); void setStateDataReporter(bool); void setStepIndexBoolean(bool); void setTimeBoolean(bool); void setSpeedBoolean(bool); void setProgressBoolean(bool); void setPotentialEnergyBoolean(bool); void setKineticEnergyBoolean(bool); void setTotalEnergyBoolean(bool); void setTemperatureBoolean(bool); void setVolumeBoolean(bool); void setDensityBoolean(bool); void setPlatformType(int); void setPrecisionType(int); void setMinimize(int); void setMinimizeSteps(int); }; } // namespace QtPlugins } // namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/qtplugins/openmminput/openmminputdialog.ui000066400000000000000000000702221474375334400266430ustar00rootroot00000000000000 OpenMMInputDialog 0 0 1074 697 0 0 OpenMM Script Builder true QLayout::SetNoConstraint QLayout::SetDefaultConstraint Job script: script Input Coords: input.pdb Input Topology: input.prmtop false Forcefield: AMBER96 AMBER99sb AMBER99sb-ildn AMBER99sb-nmr AMBER03 AMBER10 Water Model: SPC/E TIP3P TIP4P-Ew TIP5P Implicit Solvent (OBC) Platform: Reference OpenCL CPU CUDA Precision: single mixed double Device Index: 10000 1 1 OpenCL Platform Index: 10000 1 1 1 Qt::Horizontal Nonbonded method: NoCutoff CutoffNonPeriodic CutoffPeriodic Ewald PME Ewald Tolerance: 5 0.000010000000000 0.000500000000000 0.000010000000000 10000.000000000000000 Constraints: None HBonds AllBonds HAngles Constraint Tolerance: 5 0.000010000000000 1.000000000000000 0.000010000000000 10000.000000000000000 Rigid water? True False Nonbonded cutoff: 4 0.000100000000000 1.000000000000000 0.000100000000000 10000.000000000000000 nm Random initial velocity: True False Generation Temp: 2 20000.000000000000000 298.149999999999977 K 1 Qt::Horizontal Integrator: Langevin Verlet Brownian VariableLangevin VariableVerlet Time step for the simulation in units according to "Units" specification. Timestep: Time step for the simulation in units according to "Units" specification. 0.500000000000000 2.000000000000000 fs Error tolerance: 4 0.000100000000000 0.000100000000000 0.000100000000000 10000.000000000000000 Collision rate: 2 20000.000000000000000 1.50000000000 /ps Temperature: 2 20000.000000000000000 298.149999999999977 K Barostat: None Monte Carlo Pressure: 2 20000.000000000000000 1.0000000 atm Barostat Interval 10000 1 25 Qt::Horizontal Reporters: StateData true DCD true PDB false Report Interval: 1 9999999 1000 Equilibration Steps: 1 9999999 100 Production Steps: 1 9999999 1000 Minimize? True False Max. Minimize Steps: 1 9999999 1000 StateData options: Step Index true Time false Speed true Progress true Potential Energy true Kinetic Energy false Total Energy false Temperature true Volume false Density false Qt::Horizontal 40 20 0 0 QLayout::SetFixedSize Reset false Use Form Qt::Horizontal 48 26 Generate… Close generateButton closeButton resetButton enableFormButton closeButton clicked() OpenMMInputDialog close() 451 411 258 243 avogadrolibs-1.100.0/avogadro/qtplugins/overlayaxes/000077500000000000000000000000001474375334400225355ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/overlayaxes/CMakeLists.txt000066400000000000000000000004451474375334400253000ustar00rootroot00000000000000find_package(OpenGL REQUIRED) find_package(GLEW REQUIRED) avogadro_plugin(OverlayAxes "Reference Axes Overlay" ExtensionPlugin overlayaxes.h OverlayAxes overlayaxes.cpp "") target_link_libraries(OverlayAxes PRIVATE Avogadro::Rendering Avogadro::QtOpenGL OpenGL::GL GLEW::GLEW) avogadrolibs-1.100.0/avogadro/qtplugins/overlayaxes/overlayaxes.cpp000066400000000000000000000231231474375334400256040ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "overlayaxes.h" #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::Vector3f; using Avogadro::Core::Array; using Avogadro::Rendering::Camera; using Avogadro::Rendering::GeometryNode; using Avogadro::Rendering::GroupNode; using Avogadro::Rendering::MeshGeometry; using Eigen::Affine3f; namespace { const static float M_PI_F = 3.14159265358979323846f; // Mesh class that overrides the camera used in rendering. class CustomMesh : public MeshGeometry { public: CustomMesh() { setRenderPass(Avogadro::Rendering::Overlay3DPass); } ~CustomMesh() override {} void render(const Camera& camera) override; }; void CustomMesh::render(const Camera& camera) { // Swap in a new viewport/camera for the overlay /// @todo This is messy, it would be better to specify camera/viewport in a /// group/geometry node that the renderer could apply to all children. // Keep the rotation, lose the translation: Affine3f mv(camera.modelView()); mv.matrix().block<3, 1>(0, 3) = Vector3f::Zero(); // Save the actual viewport - works better on high resolution screens GLint viewport[4]; glGetIntegerv(GL_VIEWPORT, viewport); // The largest window dimension, used to scale the axes // (again, grab from the actual viewport) const int maxDim = std::max(viewport[2], viewport[3]); Camera meshCamera(camera); meshCamera.setViewport(maxDim / 10, maxDim / 10); meshCamera.setModelView(mv); meshCamera.calculateOrthographic(-1.f, 1.f, -1.f, 1.f, -1.f, 1.f); glViewport(static_cast(10), static_cast(10), static_cast(meshCamera.width()), static_cast(meshCamera.height())); MeshGeometry::render(meshCamera); glViewport(viewport[0], viewport[1], viewport[2], viewport[3]); } } // namespace namespace Avogadro::QtPlugins { class OverlayAxes::RenderImpl { public: RenderImpl(); ~RenderImpl(); CustomMesh* mesh; private: void buildMesh(); // axis must be normalized: void addAxis(const Vector3f& axis, const Vector3ub& color); }; OverlayAxes::RenderImpl::RenderImpl() : mesh(new CustomMesh) { buildMesh(); } OverlayAxes::RenderImpl::~RenderImpl() { delete mesh; } void OverlayAxes::RenderImpl::buildMesh() { addAxis(Vector3f(1.f, 0.f, 0.f), Vector3ub(255, 0, 0)); addAxis(Vector3f(0.f, 1.f, 0.f), Vector3ub(0, 255, 0)); addAxis(Vector3f(0.f, 0.f, 1.f), Vector3ub(0, 0, 255)); } void OverlayAxes::RenderImpl::addAxis(const Vector3f& axis, const Vector3ub& color) { mesh->setColor(color); // Number of angular samples: const unsigned int res = 12; const auto resf = static_cast(res); // Cylinder length: const float cylLength = .75f; // Cylinder radius: const float cylRadius = 0.0625f; // Cone length: const float coneLength = .25f; // Cone radius: const float coneRadius = .125f; // Some vectors that will simplify things later: const Vector3f origin(0.f, 0.f, 0.f); const Vector3f cylVector(axis * cylLength); const Vector3f coneVector(axis * coneLength); const Vector3f axisVector(coneVector + cylVector); const Vector3f radialUnit(axis.unitOrthogonal()); // Index offsets: const unsigned int coneBaseOffset = 0; const unsigned int coneBaseRadialsOffset = coneBaseOffset + 1; const unsigned int coneSideRadialsOffset = coneBaseRadialsOffset + res; const unsigned int coneTipsOffset = coneSideRadialsOffset + res; const unsigned int cylBaseRadialsOffset = coneTipsOffset + res; const unsigned int cylTopRadialsOffset = cylBaseRadialsOffset + res; const unsigned int numVertices = cylTopRadialsOffset + res; // Allocate arrays: Array vertices(numVertices); Array normals(numVertices); // This point doesn't change: vertices[coneBaseOffset] = origin + cylVector; normals[coneBaseOffset] = -axis; // Initial radial: Vector3f radial(radialUnit); // Create radial transform: Eigen::Affine3f xform(Eigen::AngleAxisf(2.f * M_PI_F / resf, axis)); // Build vertex list: const Vector3f coneTip(origin + axisVector); Vector3f coneRadial; Vector3f coneSideNormal; Vector3f cylRadial; for (unsigned int i = 0; i < res; ++i) { coneRadial = origin + cylVector + (radial * coneRadius); // Calculating the cone side normal: // // /| (z points out of screen) z = coneVector x coneRadial // / | a = coneVector - coneRadial // a / | coneVector n = z x a // / | // / | (n is the normal for vector a) // /_____| // coneRadial coneSideNormal = -(coneVector.cross(coneRadial)) .cross(coneVector - coneRadial) .normalized(); vertices[coneBaseRadialsOffset + i] = coneRadial; normals[coneBaseRadialsOffset + i] = -axis; vertices[coneSideRadialsOffset + i] = coneRadial; normals[coneSideRadialsOffset + i] = coneSideNormal; cylRadial = origin + (radial * cylRadius); vertices[cylBaseRadialsOffset + i] = cylRadial; normals[cylBaseRadialsOffset + i] = radial; vertices[cylTopRadialsOffset + i] = cylVector + cylRadial; normals[cylTopRadialsOffset + i] = radial; radial = xform * radial; } // Cone tip normals are averages of the side radial normals: for (unsigned int i = 0; i < res; ++i) { unsigned int ind1 = coneSideRadialsOffset + i; unsigned int ind2 = coneSideRadialsOffset + ((i + 1) % res); vertices[coneTipsOffset + i] = coneTip; normals[coneTipsOffset + i] = (normals[ind1] + normals[ind2]).normalized(); } // Add the vertices and get our index offset: const unsigned int baseOffset = mesh->addVertices(vertices, normals); // Stitch the vertices together: Array triangles(3 * 4 * res); // 3 verts * 4 tri * nsamples unsigned int* ptr = triangles.data(); for (unsigned int i = 0; i < res; ++i) { unsigned int i2 = (i + 1) % res; // Cone sides: *ptr++ = baseOffset + coneTipsOffset + i; *ptr++ = baseOffset + coneSideRadialsOffset + i; *ptr++ = baseOffset + coneSideRadialsOffset + i2; // Cone base: *ptr++ = baseOffset + coneBaseRadialsOffset + i; *ptr++ = baseOffset + coneBaseOffset; *ptr++ = baseOffset + coneBaseRadialsOffset + i2; // Cylinder side quad: *ptr++ = baseOffset + cylTopRadialsOffset + i; *ptr++ = baseOffset + cylBaseRadialsOffset + i; *ptr++ = baseOffset + cylTopRadialsOffset + i2; *ptr++ = baseOffset + cylBaseRadialsOffset + i; *ptr++ = baseOffset + cylTopRadialsOffset + i2; *ptr++ = baseOffset + cylBaseRadialsOffset + i2; } // Add the indices to the mesh mesh->addTriangles(triangles); } OverlayAxes::OverlayAxes(QObject* p) : Avogadro::QtGui::ExtensionPlugin(p), m_initialized(false), m_render(new RenderImpl), m_glWidget(nullptr), m_axesAction(new QAction(tr("Reference Axes"), this)) { connect(m_axesAction, SIGNAL(triggered()), SLOT(processAxes())); QSettings settings; m_enabled = settings.value("overlayAxes/enabled", true).toBool(); m_axesAction->setCheckable(true); m_axesAction->setChecked(m_enabled); m_axesAction->setProperty("menu priority", 80); // processAxes() will flip the value when called // so we need to invert it here m_enabled = !m_enabled; } OverlayAxes::~OverlayAxes() { delete m_render; } QList OverlayAxes::actions() const { QList result; return result << m_axesAction; } QStringList OverlayAxes::menuPath(QAction*) const { return QStringList() << tr("&View"); } void OverlayAxes::processAxes() { m_enabled = !m_enabled; QSettings settings; settings.setValue("overlayAxes/enabled", m_enabled); m_axesAction->setChecked(m_enabled); Rendering::GroupNode* engineNode = m_widgetToNode[m_glWidget]; GroupNode& node = m_scene->rootNode(); if (node.hasChild(engineNode)) { engineNode->clearUI(); m_scene->rootNode().removeChild(engineNode); delete engineNode; m_widgetToNode[m_glWidget] = nullptr; } if (m_enabled) { engineNode = new Rendering::GroupNode(&node); m_widgetToNode[m_glWidget] = engineNode; process(*m_molecule, *engineNode); } } // namespace QtPlugins void OverlayAxes::setActiveWidget(QWidget* widget) { if (widget != nullptr) { m_glWidget = widget; connect(this, SIGNAL(updateRequested()), m_glWidget, SLOT(requestUpdate())); if (m_widgetToNode.find(m_glWidget) == m_widgetToNode.end()) { m_widgetToNode[m_glWidget] = nullptr; } } } void OverlayAxes::process(const Core::Molecule&, Rendering::GroupNode& node) { auto* geo = new GeometryNode; // Since our geometry doesn't change, we just make a copy of the pre-built // set of axes. geo->addDrawable(new CustomMesh(*m_render->mesh)); node.addChild(geo, GroupNode::NodeType::UI); emit updateRequested(); } void OverlayAxes::setMolecule(QtGui::Molecule* molecule) { m_molecule = molecule; } void OverlayAxes::setScene(Rendering::Scene* scene) { m_scene = scene; if (!m_initialized) { m_initialized = true; processAxes(); } } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/overlayaxes/overlayaxes.h000066400000000000000000000034351474375334400252550ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_OVERLAYAXES_H #define AVOGADRO_QTPLUGINS_OVERLAYAXES_H #include #include #include #include #include namespace Avogadro { namespace QtPlugins { /** * @brief Render reference axes in the corner of the display. */ class OverlayAxes : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit OverlayAxes(QObject* parent = nullptr); ~OverlayAxes() override; QString name() const override { return tr("Reference Axes Overlay"); } QString description() const override { return tr("Render reference axes in the corner of the display."); } QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* molecule) override; void setScene(Rendering::Scene* scene) override; void setActiveWidget(QWidget* widget) override; signals: void updateRequested(); private slots: void processAxes(); private: void process(const Core::Molecule& molecule, Rendering::GroupNode& node); bool m_enabled; bool m_initialized; class RenderImpl; RenderImpl* const m_render; std::map m_widgetToNode; QtGui::Molecule* m_molecule = nullptr; Rendering::Scene* m_scene; QWidget* m_glWidget; QAction* m_axesAction; }; } // end namespace QtPlugins } // end namespace Avogadro #endif // AVOGADRO_QTPLUGINS_OVERLAYAXES_H avogadrolibs-1.100.0/avogadro/qtplugins/playertool/000077500000000000000000000000001474375334400223655ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/playertool/CMakeLists.txt000066400000000000000000000006771474375334400251370ustar00rootroot00000000000000if(QT_VERSION EQUAL 6) find_package(Qt6 REQUIRED COMPONENTS OpenGL OpenGLWidgets) endif() avogadro_plugin(PlayerTool "Player tool" ToolPlugin playertool.h PlayerTool "playertool.cpp" "" playertool.qrc ) target_link_libraries(PlayerTool PRIVATE gwavi gif-h Avogadro::QtOpenGL) if(QT_VERSION EQUAL 6) target_link_libraries(PlayerTool PRIVATE Qt6::OpenGL Qt6::OpenGLWidgets) endif() avogadrolibs-1.100.0/avogadro/qtplugins/playertool/player_dark.svg000066400000000000000000000124711474375334400254100ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/playertool/player_light.svg000066400000000000000000000124711474375334400255760ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/playertool/playertool.cpp000066400000000000000000000321711474375334400252670ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "playertool.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using QtGui::Molecule; PlayerTool::PlayerTool(QObject* parent_) : QtGui::ToolPlugin(parent_), m_activateAction(new QAction(this)), m_molecule(nullptr), m_renderer(nullptr), m_currentFrame(0), m_toolWidget(nullptr), m_frameIdx(nullptr), m_slider(nullptr) { QString shortcut = tr("Ctrl+9", "control-key 9"); m_activateAction->setText(tr("Player")); m_activateAction->setToolTip(tr("Animation Tool \t(%1)").arg(shortcut)); setIcon(); } PlayerTool::~PlayerTool() {} void PlayerTool::setIcon(bool darkTheme) { if (darkTheme) { m_activateAction->setIcon(QIcon(":/icons/player_dark.svg")); } else { m_activateAction->setIcon(QIcon(":/icons/player_light.svg")); } } QWidget* PlayerTool::toolWidget() const { if (!m_toolWidget) { m_toolWidget = new QWidget(qobject_cast(parent())); auto* layout = new QVBoxLayout; auto* controls = new QHBoxLayout; controls->addStretch(1); auto* leftButton = new QPushButton("<"); connect(leftButton, SIGNAL(clicked()), SLOT(back())); controls->addWidget(leftButton); playButton = new QPushButton(tr("Play")); connect(playButton, SIGNAL(clicked()), SLOT(play())); controls->addWidget(playButton); stopButton = new QPushButton(tr("Stop")); connect(stopButton, SIGNAL(clicked()), SLOT(stop())); controls->addWidget(stopButton); stopButton->setEnabled(false); auto* rightButton = new QPushButton(">"); connect(rightButton, SIGNAL(clicked()), SLOT(forward())); controls->addWidget(rightButton); controls->addStretch(1); layout->addLayout(controls); auto* frames = new QHBoxLayout; auto* label = new QLabel(tr("Frame rate:")); frames->addWidget(label); m_animationFPS = new QSpinBox; m_animationFPS->setValue(5); m_animationFPS->setMinimum(0); m_animationFPS->setMaximum(1000); m_animationFPS->setSuffix(tr(" FPS", "frames per second")); frames->addWidget(m_animationFPS); layout->addLayout(frames); auto* sliderLayout = new QHBoxLayout; m_slider = new QSlider(Qt::Horizontal); m_slider->setMinimum(0); m_slider->setTickInterval(1); connect(m_slider, SIGNAL(valueChanged(int)), SLOT(sliderPositionChanged(int))); sliderLayout->addWidget(m_slider); layout->addLayout(sliderLayout); if (m_molecule->coordinate3dCount() > 1) m_slider->setMaximum(m_molecule->coordinate3dCount() - 1); auto* frameLayout = new QHBoxLayout; // QHBoxLayout* leftColumn = new QHBoxLayout; // QLabel* label2 = new QLabel(tr("Timestep:")); // leftColumn->addWidget(label2); // frameLayout->addLayout(leftColumn); auto* rightColumn = new QHBoxLayout; rightColumn->addStretch(1); auto* label3 = new QLabel(tr("Frame:")); rightColumn->addWidget(label3); m_frameIdx = new QSpinBox; m_frameIdx->setValue(1); m_frameIdx->setMinimum(1); if (m_molecule->coordinate3dCount() > 1) { m_frameIdx->setMaximum(m_molecule->coordinate3dCount()); m_frameIdx->setSuffix(tr(" of %0").arg(m_molecule->coordinate3dCount())); } connect(m_frameIdx, SIGNAL(valueChanged(int)), SLOT(spinnerPositionChanged(int))); rightColumn->addWidget(m_frameIdx); frameLayout->addLayout(rightColumn); layout->addLayout(frameLayout); auto* bonding = new QHBoxLayout; bonding->addStretch(1); m_dynamicBonding = new QCheckBox(tr("Dynamic bonding?")); m_dynamicBonding->setChecked(false); bonding->addWidget(m_dynamicBonding); bonding->addStretch(1); layout->addLayout(bonding); auto* recordLayout = new QHBoxLayout; recordLayout->addStretch(1); auto* recordButton = new QPushButton(tr("Record Movie…")); connect(recordButton, SIGNAL(clicked()), SLOT(recordMovie())); recordLayout->addWidget(recordButton); recordLayout->addStretch(1); layout->addLayout(recordLayout); m_toolWidget->setLayout(layout); } connect(&m_timer, SIGNAL(timeout()), SLOT(animate())); return m_toolWidget; } QUndoCommand* PlayerTool::mousePressEvent(QMouseEvent*) { return nullptr; } QUndoCommand* PlayerTool::mouseReleaseEvent(QMouseEvent*) { return nullptr; } QUndoCommand* PlayerTool::mouseDoubleClickEvent(QMouseEvent*) { return nullptr; } void PlayerTool::setActiveWidget(QWidget* widget) { m_glWidget = qobject_cast(widget); } void PlayerTool::back() { animate(-1); } void PlayerTool::forward() { animate(1); } void PlayerTool::play() { playButton->setEnabled(false); stopButton->setEnabled(true); auto fps = static_cast(m_animationFPS->value()); if (fps < 0.00001) fps = 5; int timeOut = static_cast(1000 / fps); if (m_timer.isActive()) m_timer.stop(); m_timer.start(timeOut); } void PlayerTool::stop() { playButton->setEnabled(true); stopButton->setEnabled(false); m_timer.stop(); } void PlayerTool::animate(int advance) { if (m_molecule) { if (m_currentFrame < m_molecule->coordinate3dCount() - advance && m_currentFrame + advance >= 0) { m_currentFrame += advance; m_molecule->setCoordinate3d(m_currentFrame); } else { m_currentFrame = advance > 0 ? 0 : m_molecule->coordinate3dCount() - 1; m_molecule->setCoordinate3d(m_currentFrame); } if (m_dynamicBonding->isChecked()) { m_molecule->clearBonds(); m_molecule->perceiveBondsSimple(); } m_molecule->emitChanged(Molecule::Atoms | Molecule::Added); m_slider->setValue(m_currentFrame); m_frameIdx->setValue(m_currentFrame + 1); } } void PlayerTool::recordMovie() { // Qt 5.14 or later gives the more reliable way for multi-screen #if QT_VERSION >= 0x050E00 qreal scaling = m_glWidget->screen()->devicePixelRatio(); #else qreal scaling = qApp->devicePixelRatio(); #endif int EXPORT_WIDTH = m_glWidget->width() * scaling; int EXPORT_HEIGHT = m_glWidget->height() * scaling; if (m_timer.isActive()) m_timer.stop(); QString baseFileName; if (m_molecule) baseFileName = m_molecule->data("fileName").toString().c_str(); // TODO: check path for avconv and disable MP4 if not found // TODO: add PNG as an export (i.e., pile of PNG for later use) QString selfFilter = tr("Movie (*.mp4)"); QString baseName = QFileDialog::getSaveFileName( qobject_cast(parent()), tr("Export Bitmap Graphics"), "", tr("Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)"), &selfFilter); if (baseName.isEmpty()) return; QFileInfo fileInfo(baseName); if (!fileInfo.suffix().isEmpty()) baseName = fileInfo.absolutePath() + "/" + fileInfo.baseName(); bool bonding = m_dynamicBonding->isChecked(); int numberLength = static_cast( ceil(log10(static_cast(m_molecule->coordinate3dCount()) + 1))); // m_glWidget->resize(EXPORT_WIDTH, EXPORT_HEIGHT); if (selfFilter == tr("GIF (*.gif)")) { GifWriter writer; // GIF only supports up to 100 FPS, this minimizes breakage when FPS>100 if (m_animationFPS->value() > 100) { QMessageBox::warning( qobject_cast(parent()), tr("GIF FPS support warning"), tr("The GIF file format does not support frame rates over 100 FPS.")); } GifBegin(&writer, (baseName + ".gif").toLatin1().data(), EXPORT_WIDTH, EXPORT_HEIGHT, 100 / std::min(m_animationFPS->value(), 100)); for (int i = 0; i < m_molecule->coordinate3dCount(); ++i) { qApp->processEvents(); m_molecule->setCoordinate3d(i); if (bonding) { m_molecule->clearBonds(); m_molecule->perceiveBondsSimple(); } m_molecule->emitChanged(Molecule::Atoms | Molecule::Modified); QImage exportImage; m_glWidget->raise(); m_glWidget->repaint(); if (QOpenGLFramebufferObject::hasOpenGLFramebufferObjects()) { exportImage = m_glWidget->grabFramebuffer(); } else { auto* screen = QGuiApplication::primaryScreen(); auto pixmap = screen->grabWindow(m_glWidget->winId()); exportImage = pixmap.toImage(); } int frameWidth = exportImage.width(); int frameHeight = exportImage.height(); int numbPixels = frameWidth * frameHeight; auto* imageData = new uint8_t[numbPixels * 4]; int imageIndex = 0; for (int j = 0; j < frameHeight; ++j) { for (int k = 0; k < frameWidth; ++k) { QColor color = exportImage.pixel(k, j); imageData[imageIndex] = (uint8_t)color.red(); imageData[imageIndex + 1] = (uint8_t)color.green(); imageData[imageIndex + 2] = (uint8_t)color.blue(); imageData[imageIndex + 3] = (uint8_t)color.alpha(); imageIndex += 4; } } GifWriteFrame(&writer, imageData, EXPORT_WIDTH, EXPORT_HEIGHT, 100 / std::min(m_animationFPS->value(), 100)); delete[] imageData; } GifEnd(&writer); } else if (selfFilter == tr("Movie (*.avi)")) { gwavi_t* gwavi; gwavi = gwavi_open((baseName + ".avi").toLatin1().data(), EXPORT_WIDTH, EXPORT_HEIGHT, "MJPG", m_animationFPS->value(), nullptr); for (int i = 0; i < m_molecule->coordinate3dCount(); ++i) { qApp->processEvents(); m_molecule->setCoordinate3d(i); if (bonding) { m_molecule->clearBonds(); m_molecule->perceiveBondsSimple(); } m_molecule->emitChanged(Molecule::Atoms | Molecule::Modified); QImage exportImage; m_glWidget->raise(); m_glWidget->repaint(); if (QOpenGLFramebufferObject::hasOpenGLFramebufferObjects()) { exportImage = m_glWidget->grabFramebuffer(); } else { auto* screen = QGuiApplication::primaryScreen(); auto pixmap = screen->grabWindow(m_glWidget->winId()); exportImage = pixmap.toImage(); } QByteArray ba; QBuffer buffer(&ba); buffer.open(QIODevice::WriteOnly); exportImage.save(&buffer, "JPG"); if (gwavi_add_frame( gwavi, reinterpret_cast(buffer.data().data()), buffer.size()) == -1) { QMessageBox::warning(qobject_cast(parent()), tr("Avogadro"), tr("Error: cannot add frame to video.")); } } gwavi_close(gwavi); } else if (selfFilter == tr("Movie (*.mp4)")) { for (int i = 0; i < m_molecule->coordinate3dCount(); ++i) { qApp->processEvents(); m_molecule->setCoordinate3d(i); if (bonding) { m_molecule->clearBonds(); m_molecule->perceiveBondsSimple(); } m_molecule->emitChanged(Molecule::Atoms | Molecule::Modified); QString fileName = QString::number(i); while (fileName.length() < numberLength) fileName.prepend('0'); fileName.prepend(baseName); fileName.append(".png"); QImage exportImage; m_glWidget->raise(); m_glWidget->repaint(); if (QOpenGLFramebufferObject::hasOpenGLFramebufferObjects()) { exportImage = m_glWidget->grabFramebuffer(); } else { auto* screen = QGuiApplication::primaryScreen(); auto pixmap = screen->grabWindow(m_glWidget->winId()); exportImage = pixmap.toImage(); } if (!exportImage.save(fileName)) { QMessageBox::warning(qobject_cast(parent()), tr("Avogadro"), tr("Cannot save file %1.").arg(fileName)); return; } QProcess proc; QStringList args; args << "-y" << "-r" << QString::number(m_animationFPS->value()) << "-i" << baseName + "%0" + QString::number(numberLength) + "d.png" << "-c:v" << "libx264" << "-r" << "30" << "-pix_fmt" << "yuv420p" << baseName + ".mp4"; proc.execute("avconv", args); } } } void PlayerTool::sliderPositionChanged(int k) { animate(k - m_currentFrame); } void PlayerTool::spinnerPositionChanged(int k) { animate(k - m_currentFrame - 1); } void PlayerTool::setSliderLimit() { if (m_molecule->coordinate3dCount() > 1 && m_slider) m_slider->setMaximum(m_molecule->coordinate3dCount() - 1); if (m_molecule->coordinate3dCount() > 1 && m_frameIdx) { m_frameIdx->setMaximum(m_molecule->coordinate3dCount()); m_frameIdx->setSuffix(tr(" of %0").arg(m_molecule->coordinate3dCount())); } } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/playertool/playertool.h000066400000000000000000000050061474375334400247310ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_PLAYERTOOL_H #define AVOGADRO_QTPLUGINS_PLAYERTOOL_H #include #include #include class QLabel; class QSpinBox; class QCheckBox; class QOpenGLWidget; class QPushButton; class QSlider; namespace Avogadro { namespace QtPlugins { /** * @brief PlayerTool enables playback of trajectories. */ class PlayerTool : public QtGui::ToolPlugin { Q_OBJECT public: explicit PlayerTool(QObject* p = nullptr); ~PlayerTool() override; QString name() const override { return tr("Player tool"); } QString description() const override { return tr("Play back trajectories"); } unsigned char priority() const override { return 80; } QAction* activateAction() const override { return m_activateAction; } QWidget* toolWidget() const override; void setIcon(bool darkTheme = false) override; QUndoCommand* mousePressEvent(QMouseEvent* e) override; QUndoCommand* mouseReleaseEvent(QMouseEvent* e) override; QUndoCommand* mouseDoubleClickEvent(QMouseEvent* e) override; public slots: void setMolecule(QtGui::Molecule*) override; void setGLRenderer(Rendering::GLRenderer* renderer) override; void setActiveWidget(QWidget* widget) override; protected slots: void back(); void forward(); void play(); void stop(); void animate(int advance = 1); void recordMovie(); void sliderPositionChanged(int k); void spinnerPositionChanged(int k); void setSliderLimit(); private: QAction* m_activateAction; QtGui::Molecule* m_molecule; Rendering::GLRenderer* m_renderer; int m_currentFrame; mutable QWidget* m_toolWidget; QTimer m_timer; mutable QSpinBox* m_animationFPS; mutable QSpinBox* m_frameIdx; mutable QCheckBox* m_dynamicBonding; mutable QOpenGLWidget* m_glWidget; mutable QSlider* m_slider; mutable QPushButton* playButton; mutable QPushButton* stopButton; }; inline void PlayerTool::setMolecule(QtGui::Molecule* mol) { if (m_molecule != mol) { m_molecule = mol; m_currentFrame = 0; setSliderLimit(); } } inline void PlayerTool::setGLRenderer(Rendering::GLRenderer* renderer) { m_renderer = renderer; } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_PLAYERTOOL_H avogadrolibs-1.100.0/avogadro/qtplugins/playertool/playertool.qrc000066400000000000000000000002111474375334400252600ustar00rootroot00000000000000 player_light.svg player_dark.svg avogadrolibs-1.100.0/avogadro/qtplugins/plotpdf/000077500000000000000000000000001474375334400216435ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/plotpdf/CMakeLists.txt000066400000000000000000000004461474375334400244070ustar00rootroot00000000000000set(plotpdf_srcs plotpdf.cpp pdfoptionsdialog.cpp ) set(plotpdf_uis pdfoptionsdialog.ui ) avogadro_plugin(PlotPdf "Create a pair distribution plot." ExtensionPlugin plotpdf.h PlotPdf "${plotpdf_srcs}" "${plotpdf_uis}" ) target_link_libraries(PlotPdf PRIVATE Avogadro::Vtk) avogadrolibs-1.100.0/avogadro/qtplugins/plotpdf/pdfoptionsdialog.cpp000066400000000000000000000023351474375334400257170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "pdfoptionsdialog.h" #include "ui_pdfoptionsdialog.h" #include namespace Avogadro::QtPlugins { PdfOptionsDialog::PdfOptionsDialog(QWidget* aParent) : QDialog(aParent) , m_ui(new Ui::PdfOptionsDialog) { m_ui->setupUi(this); // Read the settings QSettings settings; m_ui->spin_maxRadius->setValue( settings.value("plotpdfcurveoptions/maxRadius", 10.0).toDouble()); m_ui->spin_step->setValue( settings.value("plotpdfcurveoptions/step", 0.1).toDouble()); } PdfOptionsDialog::~PdfOptionsDialog() = default; double PdfOptionsDialog::maxRadius() const { return m_ui->spin_maxRadius->value(); } double PdfOptionsDialog::step() const { return m_ui->spin_step->value(); } void PdfOptionsDialog::accept() { QSettings settings; settings.setValue("plotpdfcurveoptions/maxRadius", maxRadius()); settings.setValue("plotpdfcurveoptions/step", step()); QDialog::accept(); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/plotpdf/pdfoptionsdialog.h000066400000000000000000000016541474375334400253670ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_PDFOPTIONSDIALOG_H #define AVOGADRO_QTPLUGINS_PDFOPTIONSDIALOG_H #include namespace Avogadro { namespace QtPlugins { namespace Ui { class PdfOptionsDialog; } /** * @brief Dialog to set options for PDF curve plotting. */ class PdfOptionsDialog : public QDialog { Q_OBJECT public: explicit PdfOptionsDialog(QWidget* parent = nullptr); ~PdfOptionsDialog(); double maxRadius() const; double step() const; protected slots: void accept(); private: QScopedPointer m_ui; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_PDFOPTIONSDIALOG_H avogadrolibs-1.100.0/avogadro/qtplugins/plotpdf/pdfoptionsdialog.ui000066400000000000000000000062351474375334400255550ustar00rootroot00000000000000 Avogadro::QtPlugins::PdfOptionsDialog 0 0 324 145 PDF Plot Options Maximum Radius: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter Å 5 0.00001 100.00000 10.00000 Step (dr): Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter Å 5 0.00001 100.00000 10.00000 QDialogButtonBox::Cancel|QDialogButtonBox::Ok spin_maxRadius spin_step buttonBox accepted() Avogadro::QtPlugins::PdfOptionsDialog accept() 226 204 161 118 buttonBox rejected() Avogadro::QtPlugins::PdfOptionsDialog reject() 226 204 161 118 avogadrolibs-1.100.0/avogadro/qtplugins/plotpdf/plotpdf.cpp000066400000000000000000000132151474375334400240210ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include #include #include #include #include "pdfoptionsdialog.h" #include "plotpdf.h" using Avogadro::Core::CrystalTools; using Avogadro::Core::UnitCell; using Avogadro::QtGui::Molecule; using std::map; namespace Avogadro::QtPlugins { using Core::Array; PlotPdf::PlotPdf(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_) , m_actions(QList()) , m_molecule(nullptr) , m_pdfOptionsDialog(new PdfOptionsDialog(qobject_cast(parent()))) , m_displayDialogAction(new QAction(this)) { m_displayDialogAction->setText(tr("Plot Pair Distribution Function…")); connect(m_displayDialogAction.data(), &QAction::triggered, this, &PlotPdf::displayDialog); m_actions.push_back(m_displayDialogAction.data()); m_displayDialogAction->setProperty("menu priority", 70); updateActions(); } PlotPdf::~PlotPdf() = default; QList PlotPdf::actions() const { return m_actions; } QStringList PlotPdf::menuPath(QAction*) const { return QStringList() << tr("&Crystal"); } void PlotPdf::setMolecule(QtGui::Molecule* mol) { if (m_molecule == mol) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; if (m_molecule) connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint))); updateActions(); } void PlotPdf::moleculeChanged(unsigned int c) { Q_ASSERT(m_molecule == qobject_cast(sender())); auto changes = static_cast(c); if (changes & Molecule::UnitCell) { if (changes & Molecule::Added || changes & Molecule::Removed) updateActions(); } } void PlotPdf::updateActions() { // Disable everything for nullptr molecules. if (!m_molecule) { foreach (QAction* action, m_actions) action->setEnabled(false); return; } // Only display the actions if there is a unit cell if (m_molecule->unitCell()) { foreach (QAction* action, m_actions) action->setEnabled(true); } else { foreach (QAction* action, m_actions) action->setEnabled(false); } } void PlotPdf::displayDialog() { // Do nothing if the user cancels if (m_pdfOptionsDialog->exec() != QDialog::Accepted) return; // Otherwise, fetch the options and perform the run double maxRadius = m_pdfOptionsDialog->maxRadius(); double step = m_pdfOptionsDialog->step(); // size_t numpoints = m_pdfOptionsDialog->numDataPoints(); // double max2theta = m_pdfOptionsDialog->max2Theta(); PdfData results; QString err; if (!generatePdfPattern(*m_molecule, results, err, maxRadius, step)) { QMessageBox::critical(qobject_cast(parent()), tr("Failed to generate PDF pattern"), tr("Error message: ") + err); return; } // Now generate a plot with the data std::vector xData; std::vector yData; for (const auto& item : results) { xData.push_back(item.first); yData.push_back(item.second); } const char* xTitle = "r (Å)"; const char* yTitle = "g(r)"; const char* windowName = "Pair Distribution Function"; if (!m_chartDialog) m_chartDialog.reset(new VTK::ChartDialog(qobject_cast(this->parent()))); m_chartDialog->setWindowTitle(windowName); auto* chart = m_chartDialog->chartWidget(); chart->clearPlots(); chart->addPlot(xData, yData, VTK::color4ub{ 255, 0, 0, 255 }); chart->setXAxisTitle(xTitle); chart->setYAxisTitle(yTitle); m_chartDialog->show(); } bool PlotPdf::generatePdfPattern(QtGui::Molecule& mol, PdfData& results, QString& err, double maxRadius, double step) { Array refAtomCoords = mol.atomPositions3d(); size_t i, j; UnitCell* uc = mol.unitCell(); if (!uc) { err = "No unit cell found."; return false; } size_t a = static_cast(maxRadius / uc->a()) + 1; size_t b = static_cast(maxRadius / uc->b()) + 1; size_t c = static_cast(maxRadius / uc->c()) + 1; Vector3 disp = a * uc->aVector() + b * uc->bVector() + c * uc->cVector(); for (i = 0; i < refAtomCoords.size(); ++i) { refAtomCoords[i] += disp; } Molecule newMolecule = mol; CrystalTools::buildSupercell(newMolecule, 2 * a + 1, 2 * b + 1, 2 * c + 1); Array newAtomCoords = newMolecule.atomPositions3d(); map pdfCount; double dist, rStep = step; size_t k, binIdx; for (i = 0; i < refAtomCoords.size(); ++i) { for (j = 0; j < newAtomCoords.size(); ++j) { dist = (refAtomCoords.at(i) - newAtomCoords.at(j)).norm(); binIdx = static_cast(dist / rStep); if (pdfCount.find(binIdx) == pdfCount.end()) { pdfCount.insert(std::make_pair(binIdx, 1)); } else { pdfCount[binIdx]++; } } } for (k = 0; k < static_cast(maxRadius / rStep); k++) { if (pdfCount.find(k) == pdfCount.end()) { results.push_back(std::make_pair(k * rStep, 0.0)); } else { results.push_back(std::make_pair( k * rStep, pdfCount[k] * newMolecule.unitCell()->volume() / (4 * M_PI * pow(k * rStep, 2) * rStep * refAtomCoords.size() * newAtomCoords.size()))); } } return true; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/plotpdf/plotpdf.h000066400000000000000000000037521474375334400234730ustar00rootroot00000000000000/******************************************************************************* This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). *******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_PLOTPDF_H #define AVOGADRO_QTPLUGINS_PLOTPDF_H #include namespace VTK { class ChartDialog; } namespace Avogadro { namespace QtPlugins { class PdfOptionsDialog; // First item in the pair is radius. Second is the pdf value. typedef std::vector> PdfData; /** * @brief Generate and plot a PDF curve */ class PlotPdf : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit PlotPdf(QObject* parent_ = nullptr); ~PlotPdf(); QString name() const { return tr("PlotPdf"); } QString description() const; QList actions() const; QStringList menuPath(QAction*) const; public slots: void setMolecule(QtGui::Molecule* mol); void moleculeChanged(unsigned int changes); private slots: void updateActions(); void displayDialog(); private: // Generate Pdf curve from a crystal // Writes the results to @p results, which is a vector of pairs of doubles // (see definition above). // err will be set to an error string if the function fails. // radius is in Angstroms. static bool generatePdfPattern(QtGui::Molecule& mol, PdfData& results, QString& err, double maxRadius = 10.0, double step = 0.1); QList m_actions; QtGui::Molecule* m_molecule; QScopedPointer m_pdfOptionsDialog; QScopedPointer m_displayDialogAction; QScopedPointer m_chartDialog; }; inline QString PlotPdf::description() const { return tr("Generate and plot a Pair Distribution Function curve."); } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_PLOTPDF_H avogadrolibs-1.100.0/avogadro/qtplugins/plotrmsd/000077500000000000000000000000001474375334400220375ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/plotrmsd/CMakeLists.txt000066400000000000000000000003231474375334400245750ustar00rootroot00000000000000set(plotrmsd_srcs plotrmsd.cpp ) avogadro_plugin(PlotRmsd "Create an RMSD plot." ExtensionPlugin plotrmsd.h PlotRmsd "${plotrmsd_srcs}" "" ) target_link_libraries(PlotRmsd PRIVATE Avogadro::Vtk) avogadrolibs-1.100.0/avogadro/qtplugins/plotrmsd/plotrmsd.cpp000066400000000000000000000076171474375334400244220ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "plotrmsd.h" #include #include #include #include #include #include #include #include #include #include using Avogadro::QtGui::Molecule; namespace Avogadro::QtPlugins { using Core::Array; PlotRmsd::PlotRmsd(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_actions(QList()), m_molecule(nullptr), m_displayDialogAction(new QAction(this)) { m_displayDialogAction->setText(tr("Plot RMSD curve…")); connect(m_displayDialogAction.get(), &QAction::triggered, this, &PlotRmsd::displayDialog); m_actions.push_back(m_displayDialogAction.get()); m_displayDialogAction->setProperty("menu priority", 80); updateActions(); } PlotRmsd::~PlotRmsd() = default; QList PlotRmsd::actions() const { return m_actions; } QStringList PlotRmsd::menuPath(QAction*) const { return QStringList() << tr("&Crystal"); } void PlotRmsd::setMolecule(QtGui::Molecule* mol) { if (m_molecule == mol) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; if (m_molecule) connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint))); updateActions(); } void PlotRmsd::moleculeChanged(unsigned int c) { Q_ASSERT(m_molecule == qobject_cast(sender())); auto changes = static_cast(c); if (changes & Molecule::UnitCell) { if (changes & Molecule::Added || changes & Molecule::Removed) updateActions(); } } void PlotRmsd::updateActions() { // Disable everything for nullptr molecules. if (!m_molecule) { foreach (QAction* action, m_actions) action->setEnabled(false); return; } // Only display the actions if multimolecule. if (m_molecule->coordinate3dCount() > 1) { foreach (QAction* action, m_actions) action->setEnabled(true); } else { foreach (QAction* action, m_actions) action->setEnabled(false); } } void PlotRmsd::displayDialog() { RmsdData results; generateRmsdPattern(results); // Now generate a plot with the data std::vector xData; std::vector yData; for (const auto& item : results) { xData.push_back(item.first); yData.push_back(item.second); } const char* xTitle = "Frame"; const char* yTitle = "RMSD (Angstrom)"; const char* windowName = "RMSD Curve"; if (!m_chartDialog) { m_chartDialog.reset( new VTK::ChartDialog(qobject_cast(this->parent()))); } m_chartDialog->setWindowTitle(windowName); auto* chart = m_chartDialog->chartWidget(); chart->clearPlots(); chart->addPlot(xData, yData, VTK::color4ub{ 255, 0, 0, 255 }); chart->setXAxisTitle(xTitle); chart->setYAxisTitle(yTitle); m_chartDialog->show(); } void PlotRmsd::generateRmsdPattern(RmsdData& results) { m_molecule->setCoordinate3d(0); Array ref = m_molecule->atomPositions3d(); for (int i = 0; i < m_molecule->coordinate3dCount(); ++i) { m_molecule->setCoordinate3d(i); Array positions = m_molecule->atomPositions3d(); double sum = 0; for (size_t j = 0; j < positions.size(); ++j) { sum += (positions[j][0] - ref[j][0]) * (positions[j][0] - ref[j][0]) + (positions[j][1] - ref[j][1]) * (positions[j][1] - ref[j][1]) + (positions[j][2] - ref[j][2]) * (positions[j][2] - ref[j][2]); } sum = sqrt(sum / m_molecule->coordinate3dCount()); results.push_back(std::make_pair(static_cast(i), sum)); } } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/plotrmsd/plotrmsd.h000066400000000000000000000033051474375334400240550ustar00rootroot00000000000000/******************************************************************************* This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). *******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_PLOTRMSD_H #define AVOGADRO_QTPLUGINS_PLOTRMSD_H #include #include namespace Avogadro { namespace VTK { class ChartDialog; } namespace QtPlugins { // First item in the pair is the frame number. Second is the RMSD value. typedef std::vector> RmsdData; /** * @brief Generate and plot an RMSD curve. */ class PlotRmsd : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit PlotRmsd(QObject* parent_ = nullptr); ~PlotRmsd(); QString name() const { return tr("PlotRmsd"); } QString description() const; QList actions() const; QStringList menuPath(QAction*) const; public slots: void setMolecule(QtGui::Molecule* mol); void moleculeChanged(unsigned int changes); private slots: void updateActions(); void displayDialog(); private: // Generate RMSD data from a coordinate set // Writes the results to @p results, which is a vector of pairs of doubles // (see definition above). void generateRmsdPattern(RmsdData& results); QList m_actions; QtGui::Molecule* m_molecule; std::unique_ptr m_displayDialogAction; QScopedPointer m_chartDialog; }; inline QString PlotRmsd::description() const { return tr("Generate and plot an RMSD curve."); } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_PLOTRMSD_H avogadrolibs-1.100.0/avogadro/qtplugins/plotxrd/000077500000000000000000000000001474375334400216675ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/plotxrd/CMakeLists.txt000066400000000000000000000010741474375334400244310ustar00rootroot00000000000000# Download the executable if we are not to use the system one option(USE_SYSTEM_GENXRDPATTERN "Use the system genxrdpattern" ON) mark_as_advanced(USE_SYSTEM_GENXRDPATTERN) if(NOT USE_SYSTEM_GENXRDPATTERN) include(DownloadGenXrdPattern) DownloadGenXrdPattern() endif() set(plotxrd_srcs plotxrd.cpp xrdoptionsdialog.cpp ) set(plotxrd_uis xrdoptionsdialog.ui ) avogadro_plugin(PlotXrd "Use ObjCryst++ to create an XRD plot." ExtensionPlugin plotxrd.h PlotXrd "${plotxrd_srcs}" "${plotxrd_uis}" ) target_link_libraries(PlotXrd PRIVATE Avogadro::Vtk) avogadrolibs-1.100.0/avogadro/qtplugins/plotxrd/plotxrd.cpp000066400000000000000000000176271474375334400241040ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include "plotxrd.h" #include "xrdoptionsdialog.h" using Avogadro::QtGui::Molecule; namespace Avogadro::QtPlugins { PlotXrd::PlotXrd(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_actions(QList()), m_molecule(nullptr), m_xrdOptionsDialog(new XrdOptionsDialog(qobject_cast(parent()))), m_displayDialogAction(new QAction(this)) { m_displayDialogAction->setText(tr("Plot Theoretical XRD Pattern…")); connect(m_displayDialogAction.get(), &QAction::triggered, this, &PlotXrd::displayDialog); m_actions.push_back(m_displayDialogAction.get()); m_displayDialogAction->setProperty("menu priority", 90); updateActions(); } PlotXrd::~PlotXrd() = default; QList PlotXrd::actions() const { return m_actions; } QStringList PlotXrd::menuPath(QAction*) const { return QStringList() << tr("&Crystal"); } void PlotXrd::setMolecule(QtGui::Molecule* mol) { if (m_molecule == mol) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; if (m_molecule) connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint))); updateActions(); } void PlotXrd::moleculeChanged(unsigned int c) { Q_ASSERT(m_molecule == qobject_cast(sender())); auto changes = static_cast(c); if (changes & Molecule::UnitCell) { if (changes & Molecule::Added || changes & Molecule::Removed) updateActions(); } } void PlotXrd::updateActions() { // Disable everything for nullptr molecules. if (!m_molecule) { foreach (QAction* action, m_actions) action->setEnabled(false); return; } // Only display the actions if there is a unit cell if (m_molecule->unitCell()) { foreach (QAction* action, m_actions) action->setEnabled(true); } else { foreach (QAction* action, m_actions) action->setEnabled(false); } } void PlotXrd::displayDialog() { // Do nothing if the user cancels if (m_xrdOptionsDialog->exec() != QDialog::Accepted) return; // Otherwise, fetch the options and perform the run double wavelength = m_xrdOptionsDialog->wavelength(); double peakwidth = m_xrdOptionsDialog->peakWidth(); size_t numpoints = m_xrdOptionsDialog->numDataPoints(); double max2theta = m_xrdOptionsDialog->max2Theta(); XrdData results; QString err; if (!generateXrdPattern(*m_molecule, results, err, wavelength, peakwidth, numpoints, max2theta)) { QMessageBox::critical(qobject_cast(parent()), tr("Failed to generate XRD pattern"), tr("Error message: ") + err); return; } // Now generate a plot with the data std::vector xData; std::vector yData; for (const auto& item : results) { xData.push_back(item.first); yData.push_back(item.second); } const char* xTitle = "2 Theta"; const char* yTitle = "Intensity"; const char* windowName = "Theoretical XRD Pattern"; if (!m_chartDialog) m_chartDialog.reset(new VTK::ChartDialog(qobject_cast(this->parent()))); m_chartDialog->setWindowTitle(windowName); auto* chart = m_chartDialog->chartWidget(); chart->clearPlots(); chart->addPlot(xData, yData, VTK::color4ub{ 255, 0, 0, 255 }); chart->setXAxisTitle(xTitle); chart->setYAxisTitle(yTitle); m_chartDialog->show(); } bool PlotXrd::generateXrdPattern(const QtGui::Molecule& mol, XrdData& results, QString& err, double wavelength, double peakwidth, size_t numpoints, double max2theta) { // Get the molecule as a cif file std::string cifData; if (!Io::FileFormatManager::instance().writeString(mol, cifData, "cif")) { err = tr("Failed to convert molecule to CIF format."); qDebug() << "Error in" << __FUNCTION__ << ":" << err; return false; } // Now, execute genXrdPattern with the given inputs QStringList args; args << "--read-from-stdin" << "--wavelength=" + QString::number(wavelength) << "--peakwidth=" + QString::number(peakwidth) << "--numpoints=" + QString::number(numpoints) << "--max2theta=" + QString::number(max2theta); QByteArray output; if (!executeGenXrdPattern(args, cifData.c_str(), output, err)) { qDebug() << "Error in" << __FUNCTION__ << ":" << err; return false; } // Store the results results.clear(); // Find the section of data in the output bool dataStarted = false; QStringList lines = QString(output).split(QRegularExpression("[\r\n]"), Qt::SkipEmptyParts); for (const auto& line : lines) { if (!dataStarted && line.contains("# 2Theta/TOF ICalc")) { dataStarted = true; continue; } if (dataStarted) { QStringList rowData = line.split(" ", Qt::SkipEmptyParts); if (rowData.size() != 2) { err = tr("Data read from genXrdPattern appears to be corrupt!"); qDebug() << "Error in" << __FUNCTION__ << err; qDebug() << "Data is:"; for (const auto& lineTmp : lines) qDebug() << lineTmp; return false; } results.push_back( std::make_pair(rowData[0].toDouble(), rowData[1].toDouble())); } } return true; } bool PlotXrd::executeGenXrdPattern(const QStringList& args, const QByteArray& input, QByteArray& output, QString& err) { QString program; // If the GENXRDPATTERN_EXECUTABLE environment variable is set, then // use that QByteArray xrdExec = qgetenv("GENXRDPATTERN_EXECUTABLE"); if (!xrdExec.isEmpty()) { program = xrdExec; } else { // Otherwise, search in the current directory, and then ../bin #ifdef _WIN32 QString executable = "genXrdPattern.exe"; #else QString executable = "genXrdPattern"; #endif QString path = QCoreApplication::applicationDirPath(); if (QFile::exists(path + "/" + executable)) program = path + "/" + executable; else if (QFile::exists(path + "/../bin/" + executable)) program = path + "/../bin/" + executable; else { err = tr("Error: could not find genXrdPattern executable!"); qDebug() << err; return false; } } QProcess p; p.start(program, args); if (!p.waitForStarted()) { err = tr("Error: " + program.toLocal8Bit() + " failed to start"); qDebug() << err; return false; } // Give it the input! p.write(input.data()); // Close the write channel p.closeWriteChannel(); if (!p.waitForFinished()) { err = tr("Error: " + program.toLocal8Bit() + " failed to finish"); qDebug() << err; output = p.readAll(); qDebug() << "Output is as follows:\n" << output; return false; } int exitStatus = p.exitStatus(); output = p.readAll(); if (exitStatus == QProcess::CrashExit) { err = tr("Error: " + program.toLocal8Bit() + " crashed!"); qDebug() << err; qDebug() << "Output is as follows:\n" << output; return false; } if (exitStatus != QProcess::NormalExit) { err = tr("Error: " + program.toLocal8Bit() + " finished abnormally with exit code " + QString::number(exitStatus).toLocal8Bit()); qDebug() << err; qDebug() << "Output is as follows:\n" << output; return false; } // We did it! return true; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/plotxrd/plotxrd.h000066400000000000000000000054061474375334400235410ustar00rootroot00000000000000/******************************************************************************* This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). *******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_PLOTXRD_H #define AVOGADRO_QTPLUGINS_PLOTXRD_H #include #include // Forward declarations class QByteArray; namespace VTK { class ChartDialog; } namespace Avogadro { namespace QtPlugins { class XrdOptionsDialog; // First item in the pair is 2*theta. Second is the intensity. typedef std::vector> XrdData; /** * @brief Generate and plot a theoretical XRD pattern using ObjCryst++ */ class PlotXrd : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit PlotXrd(QObject* parent_ = nullptr); ~PlotXrd(); QString name() const { return tr("PlotXrd"); } QString description() const; QList actions() const; QStringList menuPath(QAction*) const; public slots: void setMolecule(QtGui::Molecule* mol); void moleculeChanged(unsigned int changes); private slots: void updateActions(); void displayDialog(); private: // Generate an Xrd pattern from a crystal // Writes the results to @p results, which is a vector of pairs of doubles // (see definition above). // err will be set to an error string if the function fails. // wavelength is an Angstroms. // peakwidth is in degrees. // numpoints is an unsigned integer. // max2theta is in degrees. static bool generateXrdPattern(const QtGui::Molecule& mol, XrdData& results, QString& err, double wavelength = 1.505600, double peakwidth = 0.529580, size_t numpoints = 1000, double max2theta = 162.0); // Use QProcess to execute genXrdPattern // If the GENXRDPATTERN_EXECUTABLE environment variable is set, that will be // used for the executable. Otherwise, it will search for the executable in // some common places and use it if it can be found. static bool executeGenXrdPattern(const QStringList& args, const QByteArray& input, QByteArray& output, QString& err); QList m_actions; QtGui::Molecule* m_molecule; std::unique_ptr m_xrdOptionsDialog; std::unique_ptr m_displayDialogAction; QScopedPointer m_chartDialog; }; inline QString PlotXrd::description() const { return tr("Generate and plot a theoretical XRD pattern using ObjCryst++."); } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_PLOTXRD_H avogadrolibs-1.100.0/avogadro/qtplugins/plotxrd/xrdoptionsdialog.cpp000066400000000000000000000035161474375334400257710ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "xrdoptionsdialog.h" #include "ui_xrdoptionsdialog.h" #include namespace Avogadro::QtPlugins { XrdOptionsDialog::XrdOptionsDialog(QWidget* aParent) : QDialog(aParent), m_ui(new Ui::XrdOptionsDialog) { m_ui->setupUi(this); // Read the settings QSettings settings; m_ui->spin_wavelength->setValue( settings.value("plotxrdoptions/wavelength", 1.505600).toDouble()); m_ui->spin_peakWidth->setValue( settings.value("plotxrdoptions/peakWidth", 0.529580).toDouble()); m_ui->spin_numDataPoints->setValue( settings.value("plotxrdoptions/numDataPoints", 1000).toUInt()); m_ui->spin_max2Theta->setValue( settings.value("plotxrdoptions/max2Theta", 162.0).toDouble()); } XrdOptionsDialog::~XrdOptionsDialog() = default; double XrdOptionsDialog::wavelength() const { return m_ui->spin_wavelength->value(); } double XrdOptionsDialog::peakWidth() const { return m_ui->spin_peakWidth->value(); } size_t XrdOptionsDialog::numDataPoints() const { return m_ui->spin_numDataPoints->value(); } double XrdOptionsDialog::max2Theta() const { return m_ui->spin_max2Theta->value(); } void XrdOptionsDialog::accept() { // Write the settings and accept QSettings settings; settings.setValue("plotxrdoptions/wavelength", wavelength()); settings.setValue("plotxrdoptions/peakWidth", peakWidth()); settings.setValue("plotxrdoptions/numDataPoints", static_cast(numDataPoints())); settings.setValue("plotxrdoptions/max2Theta", max2Theta()); QDialog::accept(); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/plotxrd/xrdoptionsdialog.h000066400000000000000000000020251474375334400254300ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_XRDOPTIONSDIALOG_H #define AVOGADRO_QTPLUGINS_XRDOPTIONSDIALOG_H #include #include namespace Avogadro { namespace QtPlugins { namespace Ui { class XrdOptionsDialog; } /** * @brief Dialog to set options for a theoretical XRD pattern calculation. */ class XrdOptionsDialog : public QDialog { Q_OBJECT public: explicit XrdOptionsDialog(QWidget* parent = nullptr); ~XrdOptionsDialog(); double wavelength() const; double peakWidth() const; size_t numDataPoints() const; double max2Theta() const; protected slots: void accept(); private: std::unique_ptr m_ui; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_XRDOPTIONSDIALOG_H avogadrolibs-1.100.0/avogadro/qtplugins/plotxrd/xrdoptionsdialog.ui000066400000000000000000000136561474375334400256320ustar00rootroot00000000000000 Avogadro::QtPlugins::XrdOptionsDialog 0 0 324 237 Theoretical XRD Pattern Options <html><head/><body><p>The broadening of the peak at the base (in degrees).</p></body></html> <html><head/><body><p>The max 2theta value in degrees.</p><p>Default: 162.00°</p></body></html> ° 2 360.000000000000000 0.100000000000000 162.000000000000000 <html><head/><body><p>The broadening of the peaks at the base in degrees.</p><p>Default: 0.52958°</p></body></html> ° 5 100.000000000000000 0.100000000000000 0.529580000000000 Number of points: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter Peak width: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter Wavelength: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter <html><head/><body><p>The wavelength of the x-ray in Angstroms. </p><p>Default: 1.50560 Å</p></body></html> Å 5 0.000000000000000 100.000000000000000 0.100000000000000 1.505600000000000 <html><head/><body><p>The number of 2theta points to generate.</p><p>Default: 1000</p></body></html> 1 100000 1000 Qt::LeftToRight Max 2*theta: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter QDialogButtonBox::Cancel|QDialogButtonBox::Ok spin_wavelength spin_peakWidth spin_numDataPoints spin_max2Theta buttonBox accepted() Avogadro::QtPlugins::XrdOptionsDialog accept() 226 204 161 118 buttonBox rejected() Avogadro::QtPlugins::XrdOptionsDialog reject() 226 204 161 118 avogadrolibs-1.100.0/avogadro/qtplugins/plugindownloader/000077500000000000000000000000001474375334400235505ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/plugindownloader/CMakeLists.txt000066400000000000000000000011171474375334400263100ustar00rootroot00000000000000find_package(LibArchive REQUIRED) # Extension set(plugindownloader_srcs plugindownloader.cpp downloaderwidget.cpp zipextracter.cpp ) avogadro_plugin(PluginDownloader "Download plugins from Github repositories" ExtensionPlugin plugindownloader.h PluginDownloader "${plugindownloader_srcs}" downloaderwidget.ui "" ) target_link_libraries(PluginDownloader PRIVATE Qt::Network LibArchive::LibArchive nlohmann_json::nlohmann_json ) if(WIN32) # for https support target_link_libraries(PluginDownloader PRIVATE OpenSSL::SSL OpenSSL::Crypto OpenSSL::applink) endif() avogadrolibs-1.100.0/avogadro/qtplugins/plugindownloader/downloaderwidget.cpp000066400000000000000000000444601474375334400276260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "downloaderwidget.h" #include "ui_downloaderwidget.h" #include "zipextracter.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include using json = nlohmann::json; namespace Avogadro::QtPlugins { void setRawHeaders(QNetworkRequest* request) { request->setRawHeader("Accept", "text/html,application/xhtml+xml,application/" "xml;q=0.9,image/webp,*/*;q=0.8"); request->setRawHeader("User-Agent", "Mozilla/5.0 (Windows NT 10.0; Win64; x64) " "AppleWebKit/537.36 (KHTML, like Gecko) " "Chrome/54.0.2840.71 Safari/537.36"); request->setRawHeader("Accept-Language", "en - US, en; q = 0.8"); return; } DownloaderWidget::DownloaderWidget(QWidget* parent) : QDialog(parent), m_ui(new Ui::DownloaderWidget) { m_filePath = QStandardPaths::writableLocation(QStandardPaths::AppLocalDataLocation); m_NetworkAccessManager = new QNetworkAccessManager(this); m_ui->setupUi(this); // enable links in the readme to open an external browser m_ui->readmeBrowser->setOpenExternalLinks(true); connect(m_ui->downloadButton, SIGNAL(clicked(bool)), this, SLOT(getCheckedRepos())); connect(m_ui->repoTable, SIGNAL(cellClicked(int, int)), this, SLOT(downloadREADME(int, int))); m_ui->repoTable->setColumnCount(4); m_ui->repoTable->setSelectionBehavior(QAbstractItemView::SelectRows); m_ui->repoTable->setHorizontalHeaderLabels( QStringList() << tr("Update") << tr("Name") << tr("Version") << tr("Description")); m_ui->repoTable->horizontalHeader()->setSectionResizeMode( QHeaderView::ResizeToContents); m_ui->repoTable->horizontalHeader()->setStretchLastSection(true); m_ui->repoTable->setRowCount(0); m_ui->repoTable->verticalHeader()->hide(); getRepoData(); } DownloaderWidget::~DownloaderWidget() { delete m_ui; } // download master plugin.json from Avogadro.cc void DownloaderWidget::getRepoData(QString url) { QNetworkRequest request; setRawHeaders(&request); request.setUrl(url); // Set the url m_reply = m_NetworkAccessManager->get(request); connect(m_reply, SIGNAL(finished()), this, SLOT(updateRepoData())); } // Process the master plugin.json hosted on Avogadro.cc void DownloaderWidget::updateRepoData() { if (m_reply->error() == QNetworkReply::NoError) { // Reading the data from the response QByteArray bytes = m_reply->readAll(); // quick check that it's not empty if (bytes.isEmpty()) { QMessageBox::warning(this, tr("Error"), tr("Error downloading plugin data.")); return; } // does it parse as JSON cleanly? if (!json::accept(bytes.data())) { QMessageBox::warning(this, tr("Error"), tr("Error parsing plugin data.")); return; } // parse the json m_root = json::parse(bytes.data()); int numRepos = m_root.size(); m_ui->repoTable->setRowCount(numRepos); m_repoList.clear(); for (int i = 0; i < numRepos; i++) { m_repoList.emplace_back(); const auto& currentRoot = m_root[i]; // Loop through the keys for (auto it = currentRoot.cbegin(); it != currentRoot.cend(); ++it) { if (it.key() == "name" && it.value().is_string()) m_repoList[i].name = it.value().get().c_str(); else if (it.key() == "description" && it.value().is_string()) m_repoList[i].description = it.value().get().c_str(); else if (it.key() == "release_version" && it.value().is_string()) m_repoList[i].releaseVersion = it.value().get().c_str(); else if (it.key() == "type" && it.value().is_string()) m_repoList[i].type = it.value().get().c_str(); else if (it.key() == "updated_at" && it.value().is_string()) { // format the date, e.g. 2021-05-21T15:25:32Z QString format("yyyy-MM-ddTHH:mm:ssZ"); QDateTime dateTime = QDateTime::fromString( it.value().get().c_str(), format); m_repoList[i].updatedAt = QLocale().toString(dateTime.date(), QLocale::ShortFormat); } else if (it.key() == "zipball_url" && it.value().is_string()) m_repoList[i].zipballUrl = it.value().get().c_str(); else if (it.key() == "has_release" && it.value().is_boolean()) m_repoList[i].hasRelease = it.value().get(); else if (it.key() == "repo_url" && it.value().is_string()) m_repoList[i].baseUrl = it.value().get().c_str(); else if (it.key() == "readme_url" && it.value().is_string()) m_repoList[i].readmeUrl = it.value().get().c_str(); } QStringList urlParts; QString readmeUrl; // If the readme wasn't supplied with the JSON, figure it out if (m_repoList[i].readmeUrl == "Error") { if (m_repoList[i].baseUrl != "Error") urlParts = m_repoList[i].baseUrl.split("/"); else { urlParts = m_repoList[i].zipballUrl.split("/"); urlParts.removeLast(); urlParts.removeLast(); // remove /zipball/(version/branch) // save this as the base URL m_repoList[i].baseUrl = urlParts.join("/"); } urlParts.append("readme"); readmeUrl = urlParts.join("/"); m_repoList[i].readmeUrl = readmeUrl; } auto* checkbox = new QTableWidgetItem(); checkbox->setCheckState(Qt::Unchecked); m_ui->repoTable->setItem(i, 0, checkbox); m_ui->repoTable->setItem(i, 1, new QTableWidgetItem(m_repoList[i].name)); if (m_repoList[i].hasRelease) m_ui->repoTable->setItem( i, 2, new QTableWidgetItem(m_repoList[i].releaseVersion)); else m_ui->repoTable->setItem(i, 2, new QTableWidgetItem(m_repoList[i].updatedAt)); m_ui->repoTable->setItem(i, 3, new QTableWidgetItem(m_repoList[i].description)); } } m_reply->deleteLater(); } // Grab README data from Github void DownloaderWidget::downloadREADME(int row, int col) { m_ui->readmeBrowser->clear(); QString url = m_repoList[row].readmeUrl; QNetworkRequest request; setRawHeaders(&request); request.setUrl(url); // Set the url m_reply = m_NetworkAccessManager->get(request); connect(m_reply, SIGNAL(finished()), this, SLOT(showREADME())); } // display README when the user clicks a row void DownloaderWidget::showREADME() { if (m_reply->error() == QNetworkReply::NoError) { // Reading the data from the response QByteArray bytes = m_reply->readAll(); // parse the json m_root = json::parse(bytes.data()); QByteArray content("ERROR"); if (m_root.find("content") != m_root.end() && m_root["content"].is_string()) { content = m_root["content"].get().c_str(); } #if QT_VERSION >= 0x050E00 m_ui->readmeBrowser->setMarkdown(QByteArray::fromBase64(content).data()); #else // adapt some of the text to HTML using regex QString readme(QByteArray::fromBase64(content).data()); // This isn't ideal, but works for a bunch of common markdown // adapted from Slimdown - MIT license // https://gist.github.com/jbroadway/2836900 // h3 through h1 readme.replace(QRegularExpression("### (.*)"), "

\\1

"); readme.replace(QRegularExpression("## (.*)"), "

\\1

"); readme.replace(QRegularExpression("# (.*)"), "

\\1

"); // headers using text && ----- readme.replace(QRegularExpression("\\n([a-zA-Z].*)\\n-{5,}\\n"), "

\\1

"); // headers using text && ===== readme.replace(QRegularExpression("\\n([a-zA-Z].*)\\n={5,}\\n"), "

\\1

"); // links readme.replace(QRegularExpression("\\[([^\\[]+)\\]\\(([^\\)]+)\\)"), "\\1"); // bold readme.replace(QRegularExpression("(\\*\\*|__)(.*?)\\1"), "\\2"); // italic readme.replace(QRegularExpression("(\\*|_)(.*?)\\1"), "\\2"); // code readme.replace(QRegularExpression("`(.*?)`"), "\\1"); // horizontal lines readme.replace(QRegularExpression("\\n-{5,}"), "\n
"); // bullets (e.g., * or -) readme.replace(QRegularExpression("\\n\\*(.*)"), "\n
    \n\t
  • \\1
    • \n
"); readme.replace(QRegularExpression("\\n-(.*)"), "\n
    \n\t
  • \\1
    • \n
"); // fixup multiple
    bits readme.replace(QRegularExpression("<\\/ul>\\s?
      "), ""); // paragraphs .. doesn't seem needed // readme.replace(QRegularExpression("\\n([^\\n]+)\\n"), "

      \\1

      "); m_ui->readmeBrowser->setHtml(readme); #endif } } // see which repositories the user checked void DownloaderWidget::getCheckedRepos() { m_ui->readmeBrowser->clear(); m_downloadList.clear(); for (size_t i = 0; i < m_repoList.size(); i++) { QTableWidgetItem* row = m_ui->repoTable->item(i, 0); if (row == nullptr) continue; if (row->checkState() == Qt::Checked || row->isSelected()) { downloadEntry newEntry; newEntry.url = m_repoList[i].zipballUrl; newEntry.name = m_repoList[i].name; newEntry.type = m_repoList[i].type; m_downloadList.append(newEntry); } } downloadNext(); } // Used to download one zip at a time so we know which plugin data we're getting void DownloaderWidget::downloadNext() { if (!m_downloadList.isEmpty()) { QString url = m_downloadList.last().url; QNetworkRequest request; setRawHeaders(&request); request.setUrl(url); // Set the url m_reply = m_NetworkAccessManager->get(request); connect(m_reply, SIGNAL(finished()), this, SLOT(handleRedirect())); } } bool DownloaderWidget::checkToInstall() { QSettings settings; // check if we've asked the user before bool neverInstall = settings.value("neverInstallRequirements", false).toBool(); if (neverInstall) return false; bool alwaysInstall = settings.value("alwaysInstallRequirements", false).toBool(); if (alwaysInstall) return true; // okay, ask the user before installing QMessageBox msgBox; msgBox.setText(tr("This plugin requires certain packages to be installed.\n" "Do you want to install them?")); msgBox.setIcon(QMessageBox::Question); msgBox.setStandardButtons(QMessageBox::Yes | QMessageBox::No); msgBox.setDefaultButton(QMessageBox::Yes); // add buttons for "Yes Always" and "No, Never" QPushButton* yesAlwaysButton = msgBox.addButton(tr("Always"), QMessageBox::YesRole); QPushButton* neverButton = msgBox.addButton(tr("Never"), QMessageBox::NoRole); msgBox.exec(); if (msgBox.clickedButton() == yesAlwaysButton) { settings.setValue("alwaysInstallRequirements", true); return true; } else if (msgBox.clickedButton() == neverButton) { settings.setValue("neverInstallRequirements", true); return false; } else if (msgBox.clickedButton() == msgBox.button(QMessageBox::Yes)) { return true; } else { return false; } } // The download url for Github is always a redirect to the actual zip // Using Qt 6 the redirect gets taken care of automatically, but on Qt 5 we // have to do it manually // m_reply is a QNetworkReply void DownloaderWidget::handleRedirect() { int statusCode = m_reply->attribute(QNetworkRequest::HttpStatusCodeAttribute).toInt(); if (m_reply->error() == QNetworkReply::NoError) { if (statusCode == 302) { // Redirected, have to manually redirect QVariant possibleRedirectUrl = m_reply->attribute(QNetworkRequest::RedirectionTargetAttribute); QUrl _urlRedirectedTo = possibleRedirectUrl.toUrl(); QNetworkRequest request; setRawHeaders(&request); request.setUrl(_urlRedirectedTo); // Set the url m_reply = m_NetworkAccessManager->get(request); // Now we have the actual zip and can extract it connect(m_reply, SIGNAL(finished()), this, SLOT(unzipPlugin())); } else if (statusCode == 200) { // Normal success response unzipPlugin(); } else { // Something went wrong QString errorString = m_reply->errorString(); m_ui->readmeBrowser->append( tr("Failed to download from %1: status code %2, %3\n", "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 " "is the error message (if any)") .arg(m_reply->url().toString()) .arg(statusCode) .arg(errorString)); } } else { QString errorString = m_reply->errorString(); m_ui->readmeBrowser->append( tr("Failed to download from %1: status code %2, %3\n", "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 " "is the error message (if any)") .arg(m_reply->url().toString()) .arg(statusCode) .arg(errorString)); m_reply->deleteLater(); m_downloadList.removeLast(); downloadNext(); } } // Save and unzip the plugin zipball void DownloaderWidget::unzipPlugin() { if (m_reply->error() == QNetworkReply::NoError) { // done with redirect QByteArray fileData = m_reply->readAll(); QDir().mkpath(m_filePath); // create any needed directories for the download QString repoName = m_downloadList.last().name; QString filename = repoName + ".zip"; QString absolutePath = m_filePath + "/" + filename; QString extractDirectory; QString subdir = m_downloadList.last().type; extractDirectory = m_filePath + "/" + subdir + "/"; // create the destination directory if it doesn't exist QDir().mkpath(extractDirectory); m_ui->readmeBrowser->append( tr("Downloading %1 to %2\n").arg(filename).arg(m_filePath)); QFile out(absolutePath); out.open(QIODevice::WriteOnly); out.write(fileData); out.close(); std::string extractdir = extractDirectory.toStdString(); std::string absolutep = absolutePath.toStdString(); ZipExtracter unzip; m_ui->readmeBrowser->append( tr("Extracting %1 to %2\n").arg(absolutePath).arg(extractDirectory)); QList newFiles = unzip.listFiles(absolutep); m_ui->readmeBrowser->append( tr("Finished %1 files\n").arg(newFiles.length())); QList ret = unzip.extract(extractdir, absolutep); if (ret.empty()) { m_ui->readmeBrowser->append(tr("Extraction successful\n")); // get the list of files / directories we unzipped // the first one is the main directory name if (newFiles.length() > 0) // got an empty archive { // check for a previous version of this plugin and remove it // e.g. we extracted to a path like User-Repo-GitHash // OpenChemistry-crystals-a7c672d // we want to check for OpenChemistry-crystals QStringList namePieces = newFiles[0].split('-'); if (namePieces.length() >= 3) { namePieces.removeLast(); // drop the hash namePieces.removeFirst(); // drop the org QString component = namePieces.join('-'); // Check if there's a previous install QString destination(extractDirectory + '/' + component); QDir previousInstall(destination); if (previousInstall.exists()) previousInstall.removeRecursively(); // and move the directory into place, e.g. // OpenChemistry-crystals-a7c672d QDir().rename(extractDirectory + '/' + newFiles[0], destination); // check if there's a requirements.txt file // .. if so, install with conda or pip QString requirementsFile(destination + "/requirements.txt"); if (QFile::exists(requirementsFile) && checkToInstall()) { // use conda if available QSettings settings; QString condaEnv = settings.value("condaEnvironment").toString(); QString condaPath = settings.value("condaPath").toString(); if (!condaEnv.isEmpty() && !condaPath.isEmpty()) { // install with conda QStringList arguments; arguments << "install" << "-y" << "-c" << "conda-forge" << "--file" << requirementsFile << "-n" << condaEnv; QProcess* process = new QProcess(this); process->start(condaPath, arguments); process->waitForFinished(); QString output(process->readAllStandardOutput()); QString error(process->readAllStandardError()); if (!output.isEmpty()) m_ui->readmeBrowser->append(output); if (!error.isEmpty()) m_ui->readmeBrowser->append(error); } else { // use pip QStringList arguments; arguments << "-m" << "pip" << "install" << "-r" << requirementsFile; QProcess* process = new QProcess(this); QString pythonPath = settings.value("interpreters/python", "python").toString(); process->start(pythonPath, arguments); process->waitForFinished(); QString output(process->readAllStandardOutput()); QString error(process->readAllStandardError()); if (!output.isEmpty()) m_ui->readmeBrowser->append(output); if (!error.isEmpty()) m_ui->readmeBrowser->append(error); } } } } } else { m_ui->readmeBrowser->append( tr("Error while extracting: %1").arg(ret.first())); } out.remove(); // remove the ZIP file m_reply->deleteLater(); m_downloadList.removeLast(); downloadNext(); } } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/plugindownloader/downloaderwidget.h000066400000000000000000000042321474375334400272640ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_DOWNLOADERWIDGET_H #define AVOGADRO_DOWNLOADERWIDGET_H #include #include #include #include #include class QNetworkAccessManager; class QNetworkReply; namespace Ui { class DownloaderWidget; } namespace Avogadro { namespace QtPlugins { class DownloaderWidget : public QDialog { Q_OBJECT public: DownloaderWidget(QWidget* parent = nullptr); ~DownloaderWidget() override; public slots: void showREADME(); void downloadREADME(int, int); void updateRepoData(); void getCheckedRepos(); void handleRedirect(); void unzipPlugin(); private: struct repo { QString name; QString description; QString releaseVersion; QString type; QString updatedAt; QString zipballUrl; QString baseUrl; QString readmeUrl; bool hasRelease; // Default constructor repo() : name("Error"), description("Error"), releaseVersion("Error"), type("other"), updatedAt("Error"), zipballUrl("Error"), baseUrl("Error"), readmeUrl("Error"), hasRelease(false) { } }; struct downloadEntry { QString url; QString name; QString type; }; void downloadNextPlugin(); // for now, the default path void getRepoData(QString url = "https://avogadro.cc/plugins.json"); void downloadNext(); bool checkSHA1(QByteArray); // check if we should install requirements.txt bool checkToInstall(); std::vector m_repoList; Ui::DownloaderWidget* m_ui; QNetworkAccessManager* m_NetworkAccessManager; QNetworkReply* m_reply; /** Holds a node of JSON results */ nlohmann::json m_root; /** Used to parse JSON results */ QVariantMap m_jsonResult; QString m_filePath; QList m_downloadList; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_DOWNLOADERWIDGET_H avogadrolibs-1.100.0/avogadro/qtplugins/plugindownloader/downloaderwidget.ui000066400000000000000000000015301474375334400274500ustar00rootroot00000000000000 DownloaderWidget 0 0 965 432 Download Plugins… Download Selected avogadrolibs-1.100.0/avogadro/qtplugins/plugindownloader/plugindownloader.cpp000066400000000000000000000031441474375334400276330ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "plugindownloader.h" #include "downloaderwidget.h" #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { PluginDownloader::PluginDownloader(QObject* parent_) : ExtensionPlugin(parent_), m_downloadAction(new QAction(this)), m_molecule(nullptr), m_network(nullptr), m_widget(nullptr) { m_downloadAction->setEnabled(true); m_downloadAction->setText(tr("Download Plugins…")); m_downloadAction->setProperty("menu priority", 520); connect(m_downloadAction, SIGNAL(triggered()), SLOT(showDialog())); } PluginDownloader::~PluginDownloader() = default; QList PluginDownloader::actions() const { return QList() << m_downloadAction; } QStringList PluginDownloader::menuPath(QAction*) const { return QStringList() << tr("&Extensions"); } void PluginDownloader::showDialog() { if (m_widget == nullptr) { m_widget = new DownloaderWidget(qobject_cast(parent())); } m_widget->show(); } void PluginDownloader::replyFinished(QNetworkReply*) {} } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/plugindownloader/plugindownloader.h000066400000000000000000000030761474375334400273040ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_PLUGINDOWNLOADER_H #define AVOGADRO_QTPLUGINS_PLUGINDOWNLOADER_H #include #include #include class QNetworkAccessManager; class QNetworkReply; class QProgressDialog; namespace Avogadro { namespace QtPlugins { class DownloaderWidget; /** * @brief Downloads Github repos and extracts their contents into a Avogadro * folder for plugins, molecule data, etc.. */ class PluginDownloader : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit PluginDownloader(QObject* parent = nullptr); ~PluginDownloader() override; QString name() const override { return tr("Download Plugins"); } QString description() const override { return tr("Download plugins from GitHub repositories."); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule*) override {} private slots: void showDialog(); void replyFinished(QNetworkReply*); private: QAction* m_downloadAction; QtGui::Molecule* m_molecule; QNetworkAccessManager* m_network; QString m_moleculeName; DownloaderWidget* m_widget; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_PLUGINDOWNLOADER_H avogadrolibs-1.100.0/avogadro/qtplugins/plugindownloader/zipextracter.cpp000066400000000000000000000103771474375334400270100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "zipextracter.h" #include namespace Avogadro::QtPlugins { ZipExtracter::ZipExtracter() {} ZipExtracter::~ZipExtracter() {} int ZipExtracter::copyData(struct archive* ar, struct archive* aw) { int r; const void* buff; size_t size; la_int64_t offset; for (;;) { r = archive_read_data_block(ar, &buff, &size, &offset); if (r == ARCHIVE_EOF) return (ARCHIVE_OK); if (r < ARCHIVE_OK) return (r); r = archive_write_data_block(aw, buff, size, offset); if (r < ARCHIVE_OK) { fprintf(stderr, "%s\n", archive_error_string(aw)); return (r); } } } char* ZipExtracter::convert(const std::string& str) { char* result = new char[str.length() + 1]; strncpy(result, str.c_str(), str.length()+1); // make sure to nul-terminate return result; } QList ZipExtracter::listFiles(const std::string absolutepath) { struct archive* a; struct archive_entry* entry; int r; a = archive_read_new(); archive_read_support_format_zip(a); archive_read_support_filter_all(a); QList toReturn; if ((r = archive_read_open_filename(a, convert(absolutepath), 512))) { toReturn.append("ERROR - archive_read_open_filename == true"); toReturn.append(QString::number(r)); QString errorMsg = archive_error_string(a); toReturn.append(errorMsg); return toReturn; } for (;;) { r = archive_read_next_header(a, &entry); if (r < ARCHIVE_OK) break; toReturn.append(archive_entry_pathname(entry)); archive_read_data_skip(a); // Note 2 } r = archive_read_free(a); return toReturn; } // Extract method from libarchive docs, changed to return QList of errors QList ZipExtracter::extract(std::string extractdir, std::string absolutepath) { struct archive* a; struct archive* ext; struct archive_entry* entry; int flags; int r; QList toReturn; const std::string& extractdirectory = extractdir; std::string newFilename; std::string currentFilename; /* Select which attributes we want to restore. */ flags = ARCHIVE_EXTRACT_TIME; flags |= ARCHIVE_EXTRACT_PERM; flags |= ARCHIVE_EXTRACT_ACL; flags |= ARCHIVE_EXTRACT_FFLAGS; a = archive_read_new(); archive_read_support_format_all(a); archive_read_support_filter_all(a); ext = archive_write_disk_new(); archive_write_disk_set_options(ext, flags); archive_write_disk_set_standard_lookup(ext); if ((r = archive_read_open_filename(a, convert(absolutepath), 10240))) { toReturn.append("ERROR - archive_read_open_filename == true"); toReturn.append(QString::number(r)); QString errorMsg = archive_error_string(a); toReturn.append(errorMsg); return toReturn; } long itrCount = 0; for (;;) { r = archive_read_next_header(a, &entry); if (r == ARCHIVE_EOF) { break; } if (r < ARCHIVE_OK) fprintf(stderr, "%s\n", archive_error_string(a)); if (r < ARCHIVE_WARN) { toReturn.append("ERROR - r < ARCHIVE_WARN"); return toReturn; } currentFilename = archive_entry_pathname(entry); newFilename = extractdirectory; newFilename.append(currentFilename); archive_entry_set_pathname(entry, convert(newFilename)); r = archive_write_header(ext, entry); if (r < ARCHIVE_OK) fprintf(stderr, "%s\n", archive_error_string(ext)); else if (archive_entry_size(entry) > 0) { r = copyData(a, ext); if (r < ARCHIVE_OK) fprintf(stderr, "%s\n", archive_error_string(ext)); if (r < ARCHIVE_WARN) { toReturn.append("ERROR - r < ARCHIVE_WARN"); return toReturn; } } r = archive_write_finish_entry(ext); if (r < ARCHIVE_OK) fprintf(stderr, "%s\n", archive_error_string(ext)); if (r < ARCHIVE_WARN) { toReturn.append("ERROR - r < ARCHIVE_WARN"); return toReturn; } } archive_read_close(a); archive_read_free(a); archive_write_close(ext); archive_write_free(ext); return toReturn; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/plugindownloader/zipextracter.h000066400000000000000000000015451474375334400264520ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_ZIPEXTRACTER_H #define AVOGADRO_QTPLUGINS_ZIPEXTRACTER_H #include "archive.h" #include "archive_entry.h" #include #include namespace Avogadro { namespace QtPlugins { class ZipExtracter { public: ZipExtracter(); ~ZipExtracter(); char* convert(const std::string&); int copyData(struct archive* ar, struct archive* aw); QList extract(std::string extractdir, std::string absolutepath); QList listFiles(const std::string absolutepath); }; } // namespace QtPlugins } // namespace Avogadro #endifavogadrolibs-1.100.0/avogadro/qtplugins/pluginfactory.h000066400000000000000000000016261474375334400232370ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_PLUGINFACTORY_H #define AVOGADRO_QTPLUGINS_PLUGINFACTORY_H #include #include namespace Avogadro::QtPlugins { /** * @class PluginFactory pluginfactory.h * @brief The base class for plugin factories in Avogadro. */ template class PluginFactory { public: virtual ~PluginFactory() {} virtual T* createInstance(QObject *parent = nullptr) = 0; virtual QString identifier() const = 0; virtual QString description() const = 0; }; } /* namespace Avogadro */ #endif /* AVOGADRO_QTPLUGINS_PLUGINFACTORY_H */ avogadrolibs-1.100.0/avogadro/qtplugins/pluginmanager.cpp000066400000000000000000000101441474375334400235300ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "pluginmanager.h" #include "avogadrostaticqtplugins.h" #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { PluginManager::PluginManager(QObject* p) : QObject(p) , m_staticPluginsLoaded(false) { QString libDir(QtGui::Utilities::libraryDirectory()); // http://doc.qt.digia.com/qt/deployment-plugins.html#debugging-plugins bool debugPlugins = !qgetenv("QT_DEBUG_PLUGINS").isEmpty(); // The usual base directory is the parent directory of the executable's // location. (exe is in "bin" or "MacOS" and plugins are under the parent // directory at "/avogadro2/plugins"...) QDir baseDir(QCoreApplication::applicationDirPath() + "/.."); #ifdef __APPLE__ // But if NOT running from the installed bundle on the Mac, the plugins are // relative to the build directory instead: // if (!QFileInfo(baseDir.absolutePath() + "/Resources/qt.conf").exists()) { QDir buildDir(QCoreApplication::applicationDirPath() + "/../../../.."); baseDir = buildDir; if (debugPlugins) qDebug() << " using buildDir:" << buildDir.absolutePath(); } #endif // If the environment variable is set, use that as the base directory. QByteArray pluginDir = qgetenv("AVOGADRO_PLUGIN_DIR"); if (!pluginDir.isEmpty()) baseDir.setPath(pluginDir); if (debugPlugins) qDebug() << " baseDir:" << baseDir.absolutePath(); QDir pluginsDir(baseDir.absolutePath() + "/" + libDir + "/avogadro2/plugins"); m_pluginDirs.append(pluginsDir.absolutePath()); if (debugPlugins) { qDebug() << " pluginsDir:" << pluginsDir.absolutePath(); int count = 0; foreach (const QString& pluginPath, pluginsDir.entryList(QDir::Files)) { ++count; qDebug() << " " << pluginsDir.absolutePath() + "/" + pluginPath; } if (count > 0) qDebug() << " " << count << "files found in" << pluginsDir.absolutePath(); else qDebug() << " no plugin files found in" << pluginsDir.absolutePath(); } initAvogadroPluginResources(); } PluginManager::~PluginManager() {} PluginManager* PluginManager::instance() { static QMutex mutex; // Compiler initializes this static pointer to 0. static PluginManager* pluginManagerInstance; if (!pluginManagerInstance) { mutex.lock(); if (!pluginManagerInstance) pluginManagerInstance = new PluginManager(QCoreApplication::instance()); mutex.unlock(); } return pluginManagerInstance; } void PluginManager::load() { foreach (const QString& dir, m_pluginDirs) load(dir); } void PluginManager::load(const QString& path) { // Load any static plugins first. if (!m_staticPluginsLoaded) { QObjectList staticPlugins = QPluginLoader::staticInstances(); foreach (QObject* pluginInstance, staticPlugins) m_plugins.append(pluginInstance); m_staticPluginsLoaded = true; } QDir dir(path); foreach (const QString& pluginPath, dir.entryList(QDir::Files)) { QPluginLoader pluginLoader(dir.absolutePath() + "/" + pluginPath); // We only want to count plugins once, the || should not be necessary but // I found that on the Mac at least isLoaded was not always reliable (and // if it is we skip the second in the short-circuit). if (pluginLoader.isLoaded() || m_plugins.contains(pluginLoader.instance())) continue; QObject* pluginInstance = pluginLoader.instance(); // Check if the plugin loaded correctly. Keep debug output for now, should // go away once we have verified this (or added to a logger). if (!pluginInstance) { qDebug() << "Failed to load" << pluginPath << "error" << pluginLoader.errorString(); continue; } m_plugins.append(pluginInstance); } } } // End Avogadro namespace avogadrolibs-1.100.0/avogadro/qtplugins/pluginmanager.h000066400000000000000000000072021474375334400231760ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTGUI_PLUGINMANAGER_H #define AVOGADRO_QTGUI_PLUGINMANAGER_H #include "avogadroqtpluginsexport.h" #include #include #include namespace Avogadro { namespace QtPlugins { class ScenePluginFactory; class ExtensionPluginFactory; /** * @class PluginManager pluginmanager.h * @brief This class takes care of finding and loading Avogadro plugins. * @author Marcus D. Hanwell * * This class will find and load Avogadro plugins. Once loaded you can use an * instance of this class to query and construct plugin instances. By default * plugins are loaded from * QApplication::applicationDirPath()..//avogadro/plugins but this can * be changed, or more paths can be added. * * The load methods can be called multiple times, and will load any new plugins * while ignoring plugins that have already been loaded. */ class AVOGADROQTPLUGINS_EXPORT PluginManager : public QObject { Q_OBJECT public: /** * Get the singleton instance of the plugin manager. This instance should not * be deleted. */ static PluginManager* instance(); /** * Get a reference to the plugin directory path list. Modifying this before * calling load will allow you to add, remove or append to the search paths. */ QStringList& pluginDirList() { return m_pluginDirs; } /** Load all plugins available in the specified plugin directories. */ void load(); void load(const QString& dir); /** * Let the user request plugins with a certain type, this must use the Qt * mechanisms as qobject_cast is used in conjunction with interfaces. * * @code * factory = * pluginManager->pluginFactories(); * @endcode */ template QList pluginFactories() const; /** * Let the user request a plugin by name, this must use the Qt * mechanisms as qobject_cast is used in conjunction with interfaces. * * @code factory = pluginManager-> pluginFactories("name"); * @endcode * * @param id The identifier of the plugin factory. * @return The plugin factory if the plugin was found, nullptr otherwise. */ template T* pluginFactory(const QString& id) const; private: // Hide the constructor, destructor, copy and assignment operator. PluginManager(QObject* parent = nullptr); ~PluginManager() override; PluginManager(const PluginManager&); // Not implemented. PluginManager& operator=(const PluginManager&); // Not implemented. QStringList m_pluginDirs; QString m_relativeToApp; bool m_staticPluginsLoaded; // Storage for the loaded plugin instances. QList m_plugins; }; template QList PluginManager::pluginFactories() const { QList factories; foreach (QObject* plugin, m_plugins) { T* factory = qobject_cast(plugin); if (factory) factories.append(factory); } return factories; } template T* PluginManager::pluginFactory(const QString& id) const { T* factory; foreach (QObject* plugin, m_plugins) { factory = qobject_cast(plugin); if (factory && factory->identifier() == id) break; } return factory; } } // End QtPlugins namespace } // End Avogadro namespace #endif // AVOGADRO_QTGUI_PLUGINMANAGER_H avogadrolibs-1.100.0/avogadro/qtplugins/ply/000077500000000000000000000000001474375334400207775ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/ply/CMakeLists.txt000066400000000000000000000002371474375334400235410ustar00rootroot00000000000000avogadro_plugin(PLY "Render the scene using PLY." ExtensionPlugin ply.h PLY "ply.cpp" "" ) target_link_libraries(PLY PRIVATE Avogadro::Rendering) avogadrolibs-1.100.0/avogadro/qtplugins/ply/ply.cpp000066400000000000000000000036461474375334400223200ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "ply.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { PLY::PLY(QObject* p) : Avogadro::QtGui::ExtensionPlugin(p), m_molecule(nullptr), m_scene(nullptr), m_camera(nullptr), m_action(new QAction(tr("PLY Render…"), this)) { connect(m_action, SIGNAL(triggered()), SLOT(render())); } PLY::~PLY() { } QList PLY::actions() const { QList result; return result << m_action; } QStringList PLY::menuPath(QAction*) const { return QStringList() << tr("&File") << tr("&Export"); } void PLY::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void PLY::setScene(Rendering::Scene* scene) { m_scene = scene; } void PLY::setCamera(Rendering::Camera* camera) { m_camera = camera; } void PLY::render() { if (!m_scene || !m_camera) return; QString filename = QFileDialog::getSaveFileName( qobject_cast(parent()), tr("Save File"), QDir::homePath(), tr("PLY (*.ply);;Text file (*.txt)")); QFile file(filename); if (!file.open(QIODevice::WriteOnly)) return; QTextStream fileStream(&file); Rendering::PLYVisitor visitor(*m_camera); visitor.begin(); m_scene->rootNode().accept(visitor); fileStream << visitor.end().c_str(); file.close(); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/ply/ply.h000066400000000000000000000024771474375334400217660ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_PLY_H #define AVOGADRO_QTPLUGINS_PLY_H #include #include namespace Avogadro { namespace QtPlugins { /** * @brief The PLY class performs PLY operations on demand. */ class PLY : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit PLY(QObject* p = nullptr); ~PLY() override; QString name() const override { return tr("PLY"); } QString description() const override { return tr("Render the scene using PLY."); } QList actions() const override; QStringList menuPath(QAction* action) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; void setScene(Rendering::Scene* scene) override; void setCamera(Rendering::Camera* camera) override; private slots: void render(); private: QtGui::Molecule* m_molecule; Rendering::Scene* m_scene; Rendering::Camera* m_camera; QAction* m_action; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_PLY_H avogadrolibs-1.100.0/avogadro/qtplugins/povray/000077500000000000000000000000001474375334400215135ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/povray/CMakeLists.txt000066400000000000000000000002621474375334400242530ustar00rootroot00000000000000avogadro_plugin(POVRay "Render the scene using POV-Ray." ExtensionPlugin povray.h POVRay "povray.cpp" "" ) target_link_libraries(POVRay PRIVATE Avogadro::Rendering) avogadrolibs-1.100.0/avogadro/qtplugins/povray/povray.cpp000066400000000000000000000037251474375334400235460ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "povray.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { POVRay::POVRay(QObject* p) : Avogadro::QtGui::ExtensionPlugin(p), m_molecule(nullptr), m_scene(nullptr), m_camera(nullptr), m_action(new QAction(tr("POV-Ray Render…"), this)) { connect(m_action, SIGNAL(triggered()), SLOT(render())); } POVRay::~POVRay() { } QList POVRay::actions() const { QList result; return result << m_action; } QStringList POVRay::menuPath(QAction*) const { return QStringList() << tr("&File") << tr("&Export"); } void POVRay::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void POVRay::setScene(Rendering::Scene* scene) { m_scene = scene; } void POVRay::setCamera(Rendering::Camera* camera) { m_camera = camera; } void POVRay::render() { if (!m_scene || !m_camera) return; QString filename = QFileDialog::getSaveFileName( qobject_cast(parent()), tr("Save File"), QDir::homePath(), tr("POV-Ray (*.pov);;Text file (*.txt)")); QFile file(filename); if (!file.open(QIODevice::WriteOnly)) return; QTextStream fileStream(&file); Rendering::POVRayVisitor visitor(*m_camera); visitor.begin(); m_scene->rootNode().accept(visitor); fileStream << visitor.end().c_str(); file.close(); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/povray/povray.h000066400000000000000000000025361474375334400232120ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_POVRAY_H #define AVOGADRO_QTPLUGINS_POVRAY_H #include #include namespace Avogadro { namespace QtPlugins { /** * @brief The POVRay class performs POVRay operations on demand. */ class POVRay : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit POVRay(QObject* p = nullptr); ~POVRay() override; QString name() const override { return tr("POVRay"); } QString description() const override { return tr("Render the scene using POV-Ray."); } QList actions() const override; QStringList menuPath(QAction* action) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; void setScene(Rendering::Scene* scene) override; void setCamera(Rendering::Camera* camera) override; private slots: void render(); private: QtGui::Molecule* m_molecule; Rendering::Scene* m_scene; Rendering::Camera* m_camera; QAction* m_action; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_POVRAY_H avogadrolibs-1.100.0/avogadro/qtplugins/propertytables/000077500000000000000000000000001474375334400232525ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/propertytables/CMakeLists.txt000066400000000000000000000003771474375334400260210ustar00rootroot00000000000000avogadro_plugin(PropertyTables "Atom, Bond, Angle, Dihedral property tables." ExtensionPlugin propertytables.h PropertyTables "propertytables.cpp;propertymodel.cpp;propertyview.cpp" ) target_link_libraries(PropertyTables PRIVATE Avogadro::Calc)avogadrolibs-1.100.0/avogadro/qtplugins/propertytables/propertymodel.cpp000066400000000000000000000753041474375334400266740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "propertymodel.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro { using Avogadro::Core::Array; using Avogadro::QtGui::Molecule; using QtGui::Molecule; using QtGui::RWAtom; using QtGui::RWBond; using std::numeric_limits; using std::pair; using std::vector; using SecondaryStructure = Avogadro::Core::Residue::SecondaryStructure; // element, valence, formal charge, partial charge, x, y, z, label, color const int AtomColumns = 9; // type, atom 1, atom 2, bond order, length, label const int BondColumns = 6; // type, atom 1, atom 2, atom 3, angle const int AngleColumns = 5; // type, atom 1, atom 2, atom 3, atom 4, dihedral const int TorsionColumns = 6; // name, number, chain, secondary structure, heterogen, color const int ResidueColumns = 6; // number, rmsd, energy or more depending on available properties const int ConformerColumns = 1; // compute the RMSD between the two sets of coordinates inline double calcRMSD(const Array& v1, const Array& v2) { // if they're not the same length, it's an error if (v1.size() != v2.size()) return numeric_limits::quiet_NaN(); double sum = 0.0; for (size_t i = 0; i < v1.size(); ++i) { Vector3 diff = v1[i] - v2[i]; sum += diff.squaredNorm(); } return sqrt(sum / v1.size()); } inline double distance(Vector3 v1, Vector3 v2) { Vector3 v3 = v1 - v2; return v3.norm(); } inline QString angleTypeString(unsigned char a, unsigned char b, unsigned char c) { return QString("%1%2%3") .arg(Core::Elements::symbol(a)) .arg(Core::Elements::symbol(b)) .arg(Core::Elements::symbol(c)); } inline QString torsionTypeString(unsigned char a, unsigned char b, unsigned char c, unsigned char d) { return QString("%1%2%3%4") .arg(Core::Elements::symbol(a)) .arg(Core::Elements::symbol(b)) .arg(Core::Elements::symbol(c)) .arg(Core::Elements::symbol(d)); } PropertyModel::PropertyModel(PropertyType type, QObject* parent) : QAbstractTableModel(parent), m_type(type), m_molecule(nullptr) { } int PropertyModel::rowCount(const QModelIndex& parent) const { Q_UNUSED(parent); if (!m_validCache) updateCache(); switch (m_type) { case AtomType: return m_molecule->atomCount(); case BondType: return m_molecule->bondCount(); case ResidueType: return m_molecule->residueCount(); case AngleType: return m_angles.size(); case TorsionType: return m_torsions.size(); case ConformerType: return m_molecule->coordinate3dCount(); default: return 0; } return 0; } int PropertyModel::columnCount(const QModelIndex& parent) const { Q_UNUSED(parent); switch (m_type) { case AtomType: return AtomColumns; // see above case BondType: return BondColumns; // see above case AngleType: return AngleColumns; // see above case TorsionType: return TorsionColumns; case ResidueType: return ResidueColumns; case ConformerType: { if (m_molecule->hasData("energies")) return ConformerColumns + 1; else return ConformerColumns; } default: return 0; } return 0; } QString partialChargeType(Molecule* molecule) { QString type; std::set types = molecule->partialChargeTypes(); if (types.size() > 0) { type = QString(types.cbegin()->c_str()); } else { // find something const auto options = Calc::ChargeManager::instance().identifiersForMolecule(*molecule); if (options.size() > 0) { // look for GFN2 or AM1BCC, then MMFF94 then Gasteiger if (options.find("GFN2") != options.end()) type = "GFN2"; else if (options.find("am1bcc") != options.end()) type = "am1bcc"; else if (options.find("mmff94") != options.end()) type = "mmff94"; else if (options.find("gasteiger") != options.end()) type = "gasteiger"; else type = *options.begin()->c_str(); } } return type; } QString formatChargeType(QString type) { if (type == "gfn2") return "GFN2"; else if (type == "am1bcc") return "AM1BCC"; else if (type == "mmff94") return "MMFF94"; else if (type == "gasteiger") return "Gasteiger"; else if (type.startsWith("eem")) return "EEM"; else if (type == "qeq") return "QEq"; else if (type.toLower() == "mulliken") return "Mulliken"; else if (type.toLower() == "lowdin") return "Lowdin"; else if (type.toLower() == "chelpg") return "CHELPG"; else if (type.toLower() == "hirshfeld") return "Hirshfeld"; else return type; } QString partialCharge(Molecule* molecule, int atom) { // TODO: we need to track type and/or calling the charge calculator float charge = 0.0; std::string type = partialChargeType(molecule).toStdString(); MatrixX charges = Calc::ChargeManager::instance().partialCharges(type, *molecule); charge = charges(atom, 0); return QString("%L1").arg(charge, 0, 'f', 3); } // Qt calls this for multiple "roles" across row / columns in the index // we also combine multiple types into this class, so lots of special cases QVariant PropertyModel::data(const QModelIndex& index, int role) const { if (!index.isValid()) return QVariant(); int row = index.row(); int col = index.column(); // Simple lambda to convert QFlags to variant as in Qt 6 this needs help. auto toVariant = [&](auto flags) { return static_cast(flags); }; // handle text alignments if (role == Qt::TextAlignmentRole) { if (m_type == ConformerType) { return toVariant(Qt::AlignRight | Qt::AlignVCenter); // energies } else if (m_type == AtomType) { if ((index.column() == AtomDataCharge) || (index.column() == AtomDataColor)) return toVariant(Qt::AlignRight | Qt::AlignVCenter); else return toVariant(Qt::AlignHCenter | Qt::AlignVCenter); } else if (m_type == BondType) { if (index.column() == BondDataLength) return toVariant(Qt::AlignRight | Qt::AlignVCenter); // bond length else return toVariant(Qt::AlignHCenter | Qt::AlignVCenter); } else if (m_type == AngleType) { if (index.column() == AngleDataValue) return toVariant(Qt::AlignRight | Qt::AlignVCenter); // angle else return toVariant(Qt::AlignHCenter | Qt::AlignVCenter); } else if (m_type == TorsionType) { if (index.column() == TorsionDataValue) return toVariant(Qt::AlignRight | Qt::AlignVCenter); // dihedral angle else return toVariant(Qt::AlignHCenter | Qt::AlignVCenter); } else if (m_type == ResidueType) { return toVariant(Qt::AlignHCenter | Qt::AlignVCenter); } else if (m_type == ConformerType) { return toVariant(Qt::AlignRight | Qt::AlignVCenter); // RMSD or other properties } } if (role == Qt::DecorationRole) { // color for atom and residue if (m_type == AtomType && col == AtomDataColor && row < static_cast(m_molecule->atomCount())) { auto c = m_molecule->color(row); QColor color(c[0], c[1], c[2]); return color; } else if (m_type == ResidueType && col == ResidueDataColor && row < static_cast(m_molecule->residueCount())) { auto c = m_molecule->residue(row).color(); QColor color(c[0], c[1], c[2]); return color; } } if (role != Qt::UserRole && role != Qt::DisplayRole && role != Qt::EditRole) return QVariant(); if (m_type == AtomType) { auto column = static_cast(index.column()); if (row >= static_cast(m_molecule->atomCount()) || column > AtomColumns) { return QVariant(); // invalid index } QString format("%L1"); // Return Data switch (column) { case AtomDataElement: return Core::Elements::symbol(m_molecule->atomicNumber(row)); case AtomDataValence: return QVariant::fromValue(m_molecule->bonds(row).size()); case AtomDataFormalCharge: return m_molecule->formalCharge(row); case AtomDataPartialCharge: return partialCharge(m_molecule, row); case AtomDataX: return QString("%L1").arg(m_molecule->atomPosition3d(row).x(), 0, 'f', 4); case AtomDataY: return QString("%L1").arg(m_molecule->atomPosition3d(row).y(), 0, 'f', 4); case AtomDataZ: return QString("%L1").arg(m_molecule->atomPosition3d(row).z(), 0, 'f', 4); case AtomDataLabel: return m_molecule->atomLabel(row).c_str(); case AtomDataColor: default: return QVariant(); // nothing to show } } else if (m_type == BondType) { auto column = static_cast(index.column()); if (row >= static_cast(m_molecule->bondCount()) || column > BondColumns) { return QVariant(); // invalid index } auto bond = m_molecule->bond(row); auto atom1 = bond.atom1(); auto atom2 = bond.atom2(); switch (column) { case BondDataType: return QString("%1-%2") .arg(Core::Elements::symbol(atom1.atomicNumber())) .arg(Core::Elements::symbol(atom2.atomicNumber())); case BondDataAtom1: return QVariant::fromValue(atom1.index() + 1); case BondDataAtom2: return QVariant::fromValue(atom2.index() + 1); case BondDataOrder: return bond.order(); case BondDataLabel: return m_molecule->bondLabel(row).c_str(); default: // length, rounded to 4 decimals return QString("%L1 Å").arg( distance(atom1.position3d(), atom2.position3d()), 0, 'f', 3); } } else if (m_type == ResidueType) { auto column = static_cast(index.column()); if (row >= static_cast(m_molecule->residueCount()) || column > ResidueColumns) { return QVariant(); // invalid index } auto residue = m_molecule->residue(row); // name, number, chain, secondary structure // color is handled above switch (column) { case ResidueDataName: return residue.residueName().c_str(); case ResidueDataID: return QVariant::fromValue(residue.residueId()); case ResidueDataChain: return QString(residue.chainId()); case ResidueDataSecStructure: return secStructure(residue.secondaryStructure()); case ResidueDataHeterogen: return QString(residue.isHeterogen() ? "X" : ""); default: return QVariant(); } } else if (m_type == AngleType) { auto column = static_cast(index.column()); if (row > static_cast(m_angles.size()) || column > AngleColumns) return QVariant(); // invalid index auto angle = m_angles[row]; auto atomNumber1 = m_molecule->atomicNumber(std::get<0>(angle)); auto atomNumber2 = m_molecule->atomicNumber(std::get<1>(angle)); auto atomNumber3 = m_molecule->atomicNumber(std::get<2>(angle)); Vector3 a1 = m_molecule->atomPosition3d(std::get<0>(angle)); Vector3 a2 = m_molecule->atomPosition3d(std::get<1>(angle)); Vector3 a3 = m_molecule->atomPosition3d(std::get<2>(angle)); switch (column) { case AngleDataType: return angleTypeString(atomNumber1, atomNumber2, atomNumber3); case AngleDataAtom1: return QVariant::fromValue(std::get<0>(angle) + 1); case AngleDataAtom2: return QVariant::fromValue(std::get<1>(angle) + 1); case AngleDataAtom3: return QVariant::fromValue(std::get<2>(angle) + 1); case AngleDataValue: return QString("%L1 °").arg(calcAngle(a1, a2, a3), 0, 'f', 3); default: return QVariant(); } } else if (m_type == TorsionType) { auto column = static_cast(index.column()); if (row > static_cast(m_torsions.size()) || column > TorsionColumns) return QVariant(); // invalid index auto torsion = m_torsions[row]; auto atomNumber1 = m_molecule->atomicNumber(std::get<0>(torsion)); auto atomNumber2 = m_molecule->atomicNumber(std::get<1>(torsion)); auto atomNumber3 = m_molecule->atomicNumber(std::get<2>(torsion)); auto atomNumber4 = m_molecule->atomicNumber(std::get<3>(torsion)); Vector3 a1 = m_molecule->atomPosition3d(std::get<0>(torsion)); Vector3 a2 = m_molecule->atomPosition3d(std::get<1>(torsion)); Vector3 a3 = m_molecule->atomPosition3d(std::get<2>(torsion)); Vector3 a4 = m_molecule->atomPosition3d(std::get<3>(torsion)); switch (column) { case TorsionDataType: return torsionTypeString(atomNumber1, atomNumber2, atomNumber3, atomNumber4); case TorsionDataAtom1: return QVariant::fromValue(std::get<0>(torsion) + 1); case TorsionDataAtom2: return QVariant::fromValue(std::get<1>(torsion) + 1); case TorsionDataAtom3: return QVariant::fromValue(std::get<2>(torsion) + 1); case TorsionDataAtom4: return QVariant::fromValue(std::get<3>(torsion) + 1); case TorsionDataValue: return QString("%L1 °").arg(calcDihedral(a1, a2, a3, a4), 0, 'f', 3); default: return QVariant(); } } else if (m_type == ConformerType) { auto column = static_cast(index.column()); if (row >= static_cast(m_molecule->coordinate3dCount()) || column > ConformerColumns) { return QVariant(); // invalid index } switch (column) { case ConformerDataRMSD: { // rmsd double rmsd = 0.0; if (row > 0) { rmsd = calcRMSD(m_molecule->coordinate3d(row), m_molecule->coordinate3d(0)); } return QString("%L1 Å").arg(rmsd, 0, 'f', 3); } case ConformerDataEnergy: { double energy = 0.0; if (m_molecule->hasData("energies")) { std::vector energies = m_molecule->data("energies").toList(); // calculate the minimum double minEnergy = std::numeric_limits::max(); for (double e : energies) { minEnergy = std::min(minEnergy, e); } if (row < static_cast(energies.size())) energy = energies[row] - minEnergy; } return QString("%L1").arg(energy, 0, 'f', 4); } } } return QVariant(); } QVariant PropertyModel::headerData(int section, Qt::Orientation orientation, int role) const { // handle text alignments if (role == Qt::TextAlignmentRole) { if (orientation == Qt::Vertical) { return Qt::AlignHCenter; // XYZ coordinates } } if (role != Qt::DisplayRole) return QVariant(); if (m_type == AtomType) { if (orientation == Qt::Horizontal) { unsigned int column = static_cast(section); switch (column) { case AtomDataElement: return tr("Element"); case AtomDataValence: return tr("Valence"); case AtomDataFormalCharge: return tr("Formal Charge"); case AtomDataPartialCharge: { QString charge = tr("%1 Partial Charge", "e.g. MMFF94 Partial Charge or " "Gasteiger Partial Charge"); return charge.arg(formatChargeType(partialChargeType(m_molecule))); } case AtomDataX: return tr("X (Å)"); case AtomDataY: return tr("Y (Å)"); case AtomDataZ: return tr("Z (Å)"); case AtomDataLabel: return tr("Label"); case AtomDataColor: return tr("Color"); } } else return tr("Atom") + QString(" %1").arg(section + 1); } else if (m_type == BondType) { if (orientation == Qt::Horizontal) { unsigned int column = static_cast(section); switch (column) { case BondDataType: return tr("Type"); case BondDataAtom1: return tr("Start Atom"); case BondDataAtom2: return tr("End Atom"); case BondDataOrder: return tr("Bond Order"); case BondDataLabel: return tr("Label"); default: // A bond length return tr("Length (Å)", "in Angstrom"); } } else // Bond ordering starts at 0 return tr("Bond") + QString(" %1").arg(section + 1); } else if (m_type == ResidueType) { if (orientation == Qt::Horizontal) { unsigned int column = static_cast(section); switch (column) { case ResidueDataName: return tr("Name"); case ResidueDataID: return tr("ID"); case ResidueDataChain: return tr("Chain"); case ResidueDataSecStructure: return tr("Secondary Structure"); case ResidueDataHeterogen: return tr("Heterogen"); case ResidueDataColor: return tr("Color"); } } else // row headers return QString("%L1").arg(section + 1); } else if (m_type == AngleType) { if (orientation == Qt::Horizontal) { unsigned int column = static_cast(section); switch (column) { case AngleDataType: return tr("Type"); case AngleDataAtom1: return tr("Atom 1"); case AngleDataAtom2: return tr("Vertex"); case AngleDataAtom3: return tr("Atom 3"); case AngleDataValue: return tr("Angle (°)"); } } else // row headers return QString("%L1").arg(section + 1); } else if (m_type == TorsionType) { if (orientation == Qt::Horizontal) { unsigned int column = static_cast(section); switch (column) { case TorsionDataType: return tr("Type"); case TorsionDataAtom1: return tr("Atom 1"); case TorsionDataAtom2: return tr("Atom 2"); case TorsionDataAtom3: return tr("Atom 3"); case TorsionDataAtom4: return tr("Atom 4"); case TorsionDataValue: return tr("Angle (°)"); } } else // row headers return QString("%L1").arg(section + 1); } else if (m_type == ConformerType) { // check if we have energies bool hasEnergies = (m_molecule->hasData("energies")); if (orientation == Qt::Horizontal) { unsigned int column = static_cast(section); switch (column) { case ConformerDataRMSD: return tr("RMSD (Å)", "root mean squared displacement in Angstrom"); case ConformerDataEnergy: // should only hit this if we have energies anyway return hasEnergies ? tr("Energy (kcal/mol)") : tr("Property"); } } else // row headers return QString("%L1").arg(section + 1); } return QVariant(); } Qt::ItemFlags PropertyModel::flags(const QModelIndex& index) const { if (!index.isValid()) return Qt::ItemIsEnabled; // return QAbstractItemModel::flags(index) | Qt::ItemIsEditable // for the types and columns that can be edited auto editable = Qt::ItemIsEnabled | Qt::ItemIsSelectable | Qt::ItemIsEditable; if (m_type == AtomType) { if (index.column() == AtomDataElement || index.column() == AtomDataFormalCharge || index.column() == AtomDataX || index.column() == AtomDataY || index.column() == AtomDataZ || index.column() == AtomDataLabel) return editable; // TODO: Color } else if (m_type == BondType) { if (index.column() == BondDataOrder || index.column() == BondDataLength || index.column() == BondDataLabel) return editable; } else if (m_type == ResidueType) { // TODO: Color } else if (m_type == AngleType) { if (index.column() == AngleDataValue) return editable; } else if (m_type == TorsionType) { if (index.column() == TorsionDataValue) return editable; } return QAbstractItemModel::flags(index); } bool PropertyModel::setData(const QModelIndex& index, const QVariant& value, int role) { if (!index.isValid()) return false; if (role != Qt::EditRole) return false; // If an item is actually editable, we should invalidate the cache // We can still use the cached data -- we just invalidate now // So that we can call "return" and have the cache invalid when we leave m_validCache = false; auto* undoMolecule = m_molecule->undoMolecule(); if (m_type == AtomType) { Vector3 v = m_molecule->atomPosition3d(index.row()); switch (static_cast(index.column())) { case AtomDataFormalCharge: { bool ok; int charge = value.toInt(&ok); if (ok) { undoMolecule->setFormalCharge(index.row(), charge); } break; } case AtomDataElement: { // atomic number // Try first as a number bool ok; int atomicNumber = value.toInt(&ok); if (ok) undoMolecule->setAtomicNumber(index.row(), atomicNumber); else { // try a symbol atomicNumber = Core::Elements::atomicNumberFromSymbol( value.toString().toStdString()); if (atomicNumber != Avogadro::InvalidElement) { undoMolecule->setAtomicNumber(index.row(), atomicNumber); } else return false; } // not a number break; } case AtomDataX: v[0] = value.toDouble(); break; case AtomDataY: v[1] = value.toDouble(); break; case AtomDataZ: v[2] = value.toDouble(); break; case AtomDataLabel: undoMolecule->setAtomLabel(index.row(), value.toString().toStdString()); break; default: return false; } undoMolecule->setAtomPosition3d(index.row(), v); // cleanup atom changes emit dataChanged(index, index); m_molecule->emitChanged(Molecule::Atoms); return true; } else if (m_type == BondType) { switch (static_cast(index.column())) { case BondDataOrder: undoMolecule->setBondOrder(index.row(), value.toInt()); break; case BondDataLength: setBondLength(index.row(), value.toDouble()); break; case BondDataLabel: undoMolecule->setBondLabel(index.row(), value.toString().toStdString()); break; default: return false; } emit dataChanged(index, index); m_molecule->emitChanged(Molecule::Bonds); return true; } else if (m_type == AngleType) { if (index.column() == AngleDataValue) { setAngle(index.row(), value.toDouble()); emit dataChanged(index, index); m_molecule->emitChanged(Molecule::Atoms); return true; } } else if (m_type == TorsionType) { if (index.column() == TorsionDataValue) { setTorsion(index.row(), value.toDouble()); emit dataChanged(index, index); m_molecule->emitChanged(Molecule::Atoms); return true; } } return false; } void PropertyModel::buildFragment(const QtGui::RWBond& bond, const QtGui::RWAtom& startAtom) { m_fragment.clear(); if (!fragmentRecurse(bond, startAtom, startAtom)) { // If this returns false, then a cycle has been found. Only move startAtom // in this case. m_fragment.clear(); } m_fragment.push_back(m_molecule->undoMolecule()->atomUniqueId(startAtom)); } bool PropertyModel::fragmentRecurse(const QtGui::RWBond& bond, const QtGui::RWAtom& startAtom, const QtGui::RWAtom& currentAtom) { // does our cycle include both bonded atoms? const RWAtom bondedAtom(bond.getOtherAtom(startAtom)); auto* undoMolecule = m_molecule->undoMolecule(); Core::Array bonds = undoMolecule->bonds(currentAtom); for (auto& it : bonds) { if (it != bond) { // Skip the current bond const RWAtom nextAtom = it.getOtherAtom(currentAtom); if (nextAtom != startAtom && nextAtom != bondedAtom) { // Skip atoms that have already been added. This prevents infinite // recursion on cycles in the fragments int uid = undoMolecule->atomUniqueId(nextAtom); if (!fragmentHasAtom(uid)) { m_fragment.push_back(uid); if (!fragmentRecurse(it, startAtom, nextAtom)) return false; } } else if (nextAtom == bondedAtom) { // If we've found the bonded atom, the bond is in a cycle return false; } } // *it != bond } // foreach bond return true; } inline bool PropertyModel::fragmentHasAtom(int uid) const { return std::find(m_fragment.begin(), m_fragment.end(), uid) != m_fragment.end(); } void PropertyModel::transformFragment() const { auto* undoMolecule = m_molecule->undoMolecule(); undoMolecule->beginMergeMode(tr("Adjust Fragment")); for (int it : m_fragment) { RWAtom atom = m_molecule->undoMolecule()->atomByUniqueId(it); if (atom.isValid()) { Vector3 pos = atom.position3d(); pos = m_transform * pos; atom.setPosition3d(pos); } } undoMolecule->endMergeMode(); } void PropertyModel::setBondLength(unsigned int index, double length) { if (m_molecule == nullptr) return; if (index >= m_molecule->bondCount()) return; // figure out how much to move and the vector of displacement auto bond = m_molecule->undoMolecule()->bond(index); Vector3 v1 = bond.atom1().position3d(); Vector3 v2 = bond.atom2().position3d(); Vector3 diff = v2 - v1; double currentLength = diff.norm(); diff.normalize(); Vector3 delta = diff * (length - currentLength); buildFragment(bond, bond.atom2()); m_transform.setIdentity(); m_transform.translate(delta); transformFragment(); m_molecule->emitChanged(QtGui::Molecule::Modified | QtGui::Molecule::Atoms); } void PropertyModel::setAngle(unsigned int index, double newValue) { // the index refers to the angle auto angle = m_angles[index]; auto atom1 = m_molecule->undoMolecule()->atom(std::get<0>(angle)); auto atom2 = m_molecule->undoMolecule()->atom(std::get<1>(angle)); auto atom3 = m_molecule->undoMolecule()->atom(std::get<2>(angle)); auto bond = m_molecule->undoMolecule()->bond(atom1, atom2); Vector3 a = atom1.position3d(); Vector3 b = atom2.position3d(); Vector3 c = atom3.position3d(); const double currentValue = calcAngle(a, b, c); Vector3 ab = b - a; Vector3 bc = c - b; // Axis of rotation is the cross product of the vectors const Vector3 axis((ab.cross(bc)).normalized()); // Angle of rotation const double change = (newValue - currentValue) * M_PI / 180.0; // Build transform m_transform.setIdentity(); m_transform.translate(b); m_transform.rotate(Eigen::AngleAxis(-change, axis)); m_transform.translate(-b); // Build the fragment if needed: if (m_fragment.empty()) buildFragment(bond, atom2); // Perform transformation transformFragment(); } void PropertyModel::setTorsion(unsigned int index, double newValue) { auto torsion = m_torsions[index]; auto atom1 = m_molecule->undoMolecule()->atom(std::get<0>(torsion)); auto atom2 = m_molecule->undoMolecule()->atom(std::get<1>(torsion)); auto atom3 = m_molecule->undoMolecule()->atom(std::get<2>(torsion)); auto atom4 = m_molecule->undoMolecule()->atom(std::get<3>(torsion)); auto bond = m_molecule->undoMolecule()->bond(atom2, atom3); Vector3 a = atom1.position3d(); Vector3 b = atom2.position3d(); Vector3 c = atom3.position3d(); Vector3 d = atom4.position3d(); const double currentValue = calcDihedral(a, b, c, d); // Axis of rotation const Vector3 axis((c - b).normalized()); // Angle of rotation const double change = (newValue - currentValue) * M_PI / 180.0; // Build transform m_transform.setIdentity(); m_transform.translate(c); m_transform.rotate(Eigen::AngleAxis(change, axis)); m_transform.translate(-c); // Build the fragment if needed: if (m_fragment.empty()) buildFragment(bond, atom3); // Perform transformation transformFragment(); } void PropertyModel::setMolecule(QtGui::Molecule* molecule) { if (molecule && molecule != m_molecule) { m_molecule = molecule; updateCache(); connect(m_molecule, SIGNAL(changed(unsigned int)), this, SLOT(updateTable(unsigned int))); } } QString PropertyModel::secStructure(unsigned int type) const { switch (type) { case SecondaryStructure::piHelix: return tr("π Helix", "pi helix"); case SecondaryStructure::bend: return tr("Bend", "protein bend secondary structure"); case SecondaryStructure::alphaHelix: return tr("α Helix", "alpha helix"); case SecondaryStructure::betaSheet: return tr("β Sheet", "beta sheet"); case SecondaryStructure::helix310: return tr("3-10 helix", "3-10 helix"); case SecondaryStructure::betaBridge: return tr("β Bridge", "beta bridge"); case SecondaryStructure::turn: return tr("Turn", "protein turn secondary structure"); case SecondaryStructure::coil: return tr("Coil", "protein coil secondary structure"); default: return QString(); // implied unknown } } void PropertyModel::updateTable(unsigned int flags) { if (flags & Molecule::Added || flags & Molecule::Removed) { // tear it down and rebuild the model updateCache(); beginResetModel(); endResetModel(); } else { // we can just update the current data emit dataChanged( QAbstractItemModel::createIndex(0, 0), QAbstractItemModel::createIndex(rowCount(), columnCount())); } } void PropertyModel::updateCache() const { m_validCache = true; m_angles.clear(); m_torsions.clear(); if (m_molecule == nullptr) return; if (m_type == AngleType) { Core::AngleIterator aIter(m_molecule); auto angle = aIter.begin(); while (angle != aIter.end()) { m_angles.push_back(angle); angle = ++aIter; } } else if (m_type == TorsionType) { Core::DihedralIterator dIter(m_molecule); auto torsion = dIter.begin(); while (torsion != dIter.end()) { m_torsions.push_back(torsion); torsion = ++dIter; } } } Core::Angle PropertyModel::getAngle(unsigned int angle) const { if (angle >= m_angles.size()) return Core::Angle(); return m_angles[angle]; } Core::Dihedral PropertyModel::getTorsion(unsigned int torsion) const { if (torsion >= m_torsions.size()) return Core::Dihedral(); return m_torsions[torsion]; } } // end namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/propertytables/propertymodel.h000066400000000000000000000077361474375334400263450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef PROPMODEL_H #define PROPMODEL_H #include #include #include #include #include #include #include #include namespace Avogadro { namespace QtGui { class Molecule; } enum PropertyType { Other = 0, AtomType, BondType, AngleType, TorsionType, ConformerType, ResidueType, MoleculeType, }; class PropertyModel : public QAbstractTableModel { Q_OBJECT public slots: void updateTable(unsigned int flags); public: explicit PropertyModel(PropertyType type, QObject* parent = 0); int rowCount(const QModelIndex& parent = QModelIndex()) const; int columnCount(const QModelIndex& parent = QModelIndex()) const; QVariant data(const QModelIndex& index, int role) const; Qt::ItemFlags flags(const QModelIndex& index) const; bool setData(const QModelIndex& index, const QVariant& value, int role = Qt::EditRole); QVariant headerData(int section, Qt::Orientation orientation, int role = Qt::DisplayRole) const; void setMolecule(QtGui::Molecule* molecule); // Return what type of model this is PropertyType type() const { return m_type; }; // Generate all data pertaining to angles and torsions void updateCache() const; // Get the angle for a given index Core::Angle getAngle(unsigned int angle) const; // Get the torson for a given index Core::Dihedral getTorsion(unsigned int torsion) const; private: PropertyType m_type; QtGui::Molecule* m_molecule; mutable bool m_validCache; mutable std::vector m_angles; mutable std::vector m_torsions; QString secStructure(unsigned int type) const; std::vector m_fragment; Eigen::Affine3d m_transform; bool fragmentHasAtom(int uid) const; void buildFragment(const QtGui::RWBond& bond, const QtGui::RWAtom& startAtom); bool fragmentRecurse(const QtGui::RWBond& bond, const QtGui::RWAtom& startAtom, const QtGui::RWAtom& currentAtom); void setBondLength(unsigned int index, double value); void setAngle(unsigned int index, double newValue); void setTorsion(unsigned int index, double newValue); void transformFragment() const; inline QtGui::RWAtom otherBondedAtom(const QtGui::RWBond& bond, const QtGui::RWAtom& atom) const { return bond.atom1() == atom ? bond.atom2() : bond.atom1(); } /* * For each category (atom, bond etc), an enum specifies which columns hold * which data. */ // Atom Data enum AtomColumn { AtomDataElement = 0, AtomDataValence, AtomDataFormalCharge, AtomDataPartialCharge, AtomDataX, AtomDataY, AtomDataZ, AtomDataLabel, AtomDataColor, AtomDataCharge, AtomDataCustom, }; // Bond Data enum BondColumn { BondDataType = 0, BondDataAtom1, BondDataAtom2, BondDataOrder, BondDataLength, BondDataLabel }; // Angle Data enum AngleColumn { AngleDataType = 0, AngleDataAtom1, AngleDataAtom2, AngleDataAtom3, AngleDataValue }; // Torsion Data enum TorsionColumn { TorsionDataType = 0, TorsionDataAtom1, TorsionDataAtom2, TorsionDataAtom3, TorsionDataAtom4, TorsionDataValue }; // Conformer Data enum ConformerColumn { ConformerDataRMSD = 0, ConformerDataEnergy }; // Residue Data enum ResidueColumn { ResidueDataName = 0, ResidueDataID, ResidueDataChain, ResidueDataSecStructure, ResidueDataColor, ResidueDataHeterogen }; }; } // end namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/qtplugins/propertytables/propertytables.cpp000066400000000000000000000131771474375334400270460ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "propertytables.h" #include "propertymodel.h" #include "propertyview.h" #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { PropertyTables::PropertyTables(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_molecule(nullptr) { auto* action = new QAction(this); action->setText(tr("Atom Properties…")); action->setData(PropertyType::AtomType); action->setProperty("menu priority", 880); connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.append(action); action = new QAction(this); action->setText(tr("Bond Properties…")); action->setData(PropertyType::BondType); action->setProperty("menu priority", 870); connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.append(action); action = new QAction(this); action->setText(tr("Angle Properties…")); action->setData(PropertyType::AngleType); action->setProperty("menu priority", 860); connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.append(action); action = new QAction(this); action->setText(tr("Torsion Properties…")); action->setData(PropertyType::TorsionType); action->setProperty("menu priority", 850); connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.append(action); action = new QAction(this); action->setText(tr("Residue Properties…")); action->setData(PropertyType::ResidueType); action->setProperty("menu priority", 840); action->setEnabled(false); // changed by molecule connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.append(action); action = new QAction(this); action->setText(tr("Conformer Properties…")); action->setData(PropertyType::ConformerType); action->setProperty("menu priority", 830); action->setEnabled(false); // changed by molecule connect(action, SIGNAL(triggered()), SLOT(showDialog())); m_actions.append(action); } PropertyTables::~PropertyTables() {} QString PropertyTables::description() const { return tr("Tables for displaying and editng atom, bond, angle and torsion " "properties."); } QList PropertyTables::actions() const { return m_actions; } QStringList PropertyTables::menuPath(QAction*) const { return QStringList() << tr("&Analysis") << tr("&Properties"); } void PropertyTables::setMolecule(QtGui::Molecule* mol) { if (mol == m_molecule) return; m_molecule = mol; updateActions(); // update if the molecule changes connect(m_molecule, SIGNAL(changed(unsigned int)), SLOT(updateActions())); } void PropertyTables::updateActions() { if (m_molecule == nullptr) return; // check if we enable / disable the residue and conformer actions bool haveResidues = (m_molecule->residueCount() > 0); // technically coordinate sets bool haveConformers = (m_molecule->coordinate3dCount() > 1); for (const auto& action : m_actions) { if (action->data().toInt() == PropertyType::ResidueType) action->setEnabled(haveResidues); else if (action->data().toInt() == PropertyType::ConformerType) action->setEnabled(haveConformers); } } void PropertyTables::showDialog() { auto* action = qobject_cast(sender()); if (action == nullptr || m_molecule == nullptr) return; if (action->data().toInt() == PropertyType::ResidueType && m_molecule->residueCount() == 0) return; if (action->data().toInt() == PropertyType::ConformerType && m_molecule->coordinate3dCount() < 2) return; auto* dialog = new QDialog(qobject_cast(parent())); auto* layout = new QVBoxLayout(dialog); dialog->setLayout(layout); // Don't show whitespace around the PropertiesView layout->setSpacing(0); layout->setContentsMargins(0, 0, 0, 0); PropertyType i = static_cast(action->data().toInt()); auto* model = new PropertyModel(i); model->setMolecule(m_molecule); // view will delete itself & model in PropertiesView::hideEvent using // deleteLater(). auto* view = new PropertyView(i, dialog); auto* proxyModel = new QSortFilterProxyModel(this); proxyModel->setSourceModel(model); proxyModel->setDynamicSortFilter(true); proxyModel->setSortLocaleAware(true); // this role will received direct floating-point numbers from the model proxyModel->setSortRole(Qt::UserRole); view->setMolecule(m_molecule); view->setModel(proxyModel); view->setSourceModel(model); view->setHorizontalScrollBarPolicy(Qt::ScrollBarAlwaysOff); view->horizontalHeader()->setStretchLastSection(true); view->resizeColumnsToContents(); layout->addWidget(view); dialog->setWindowTitle(view->windowTitle()); QSize dialogSize = dialog->size(); double width = view->horizontalHeader()->length() + view->verticalHeader()->width() + 5; if (model->rowCount() < 13) { // no scrollbar dialogSize.setHeight(view->horizontalHeader()->height() + model->rowCount() * 30 + 5); dialogSize.setWidth(width); } else { // scrollbar is needed dialogSize.setHeight(width / 1.618); dialogSize.setWidth(width + view->verticalScrollBar()->width()); } dialog->resize(dialogSize); dialog->setWindowFlags(Qt::Window); dialog->show(); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/propertytables/propertytables.h000066400000000000000000000024061474375334400265040ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_PROPERTYTABLES_H #define AVOGADRO_QTPLUGINS_PROPERTYTABLES_H #include namespace Avogadro { namespace Core { class Molecule; } namespace QtPlugins { /** * @brief The PropertyTables class is an extension to launch * a "property table" views of the molecule. */ class PropertyTables : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit PropertyTables(QObject* parent_ = nullptr); ~PropertyTables() override; QString name() const override { return tr("PropertyTables"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; void updateActions(); private slots: void showDialog(); private: QList m_actions; QtGui::Molecule* m_molecule; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_PROPERTYTABLES_H avogadrolibs-1.100.0/avogadro/qtplugins/propertytables/propertyview.cpp000066400000000000000000000231641474375334400265430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "propertyview.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro { using QtGui::Molecule; PropertyView::PropertyView(PropertyType type, QWidget* parent) : QTableView(parent), m_molecule(nullptr), m_type(type), m_model(nullptr) { QString title; switch (type) { case AtomType: title = tr("Atom Properties"); break; case BondType: title = tr("Bond Properties"); break; case AngleType: title = tr("Angle Properties"); break; case TorsionType: title = tr("Torsion Properties"); break; case ConformerType: title = tr("Conformer Properties"); break; case ResidueType: title = tr("Residue Properties"); break; default: title = tr("Molecule Properties"); break; } this->setWindowTitle(title); QHeaderView* horizontal = this->horizontalHeader(); horizontal->setSectionResizeMode(QHeaderView::Interactive); horizontal->setMinimumSectionSize(75); QHeaderView* vertical = this->verticalHeader(); vertical->setSectionResizeMode(QHeaderView::Interactive); vertical->setMinimumSectionSize(30); vertical->setDefaultAlignment(Qt::AlignCenter); // You can select everything (e.g., to copy, select all, etc.) setCornerButtonEnabled(true); setSelectionBehavior(QAbstractItemView::SelectRows); if (type == ConformerType) setSelectionMode(QAbstractItemView::SingleSelection); else setSelectionMode(QAbstractItemView::ExtendedSelection); // Alternating row colors setAlternatingRowColors(true); // Allow sorting the table setSortingEnabled(true); } void PropertyView::selectionChanged(const QItemSelection& selected, const QItemSelection&) { bool ok = false; if (m_molecule == nullptr) return; // Start by clearing the molecule selection for (Index i = 0; i < m_molecule->atomCount(); ++i) m_molecule->undoMolecule()->setAtomSelected(i, false); foreach (const QModelIndex& index, selected.indexes()) { if (!index.isValid()) return; // Since the user can sort // we need to find the original index int rowNum = model() ->headerData(index.row(), Qt::Vertical) .toString() .split(" ") .last() .toLong(&ok) - 1; if (!ok) return; if (m_type == PropertyType::AtomType) { if (rowNum >= m_molecule->atomCount()) return; m_molecule->setAtomSelected(rowNum, true); } else if (m_type == PropertyType::BondType) { if (rowNum >= m_molecule->bondCount()) return; auto bondPair = m_molecule->bondPair(rowNum); m_molecule->undoMolecule()->setAtomSelected(bondPair.first, true); m_molecule->undoMolecule()->setAtomSelected(bondPair.second, true); } else if (m_type == PropertyType::AngleType) { if (m_model != nullptr) { auto angle = m_model->getAngle(rowNum); m_molecule->undoMolecule()->setAtomSelected(std::get<0>(angle), true); m_molecule->undoMolecule()->setAtomSelected(std::get<1>(angle), true); m_molecule->undoMolecule()->setAtomSelected(std::get<2>(angle), true); } } else if (m_type == PropertyType::TorsionType) { if (m_model != nullptr) { auto torsion = m_model->getTorsion(rowNum); m_molecule->undoMolecule()->setAtomSelected(std::get<0>(torsion), true); m_molecule->undoMolecule()->setAtomSelected(std::get<1>(torsion), true); m_molecule->undoMolecule()->setAtomSelected(std::get<2>(torsion), true); m_molecule->undoMolecule()->setAtomSelected(std::get<3>(torsion), true); } } else if (m_type == PropertyType::ResidueType) { // select all the atoms in the residue if (m_model != nullptr) { const auto residue = m_molecule->residue(rowNum); auto atoms = residue.residueAtoms(); for (Index i = 0; i < atoms.size(); ++i) { const auto atom = atoms[i]; m_molecule->undoMolecule()->setAtomSelected(atom.index(), true); } } } else if (m_type == PropertyType::ConformerType) { // selecting a row means switching to that conformer m_molecule->setCoordinate3d(rowNum); } } // end loop through selected m_molecule->emitChanged(Molecule::Atoms); } void PropertyView::setMolecule(Molecule* molecule) { m_molecule = molecule; } void PropertyView::hideEvent(QHideEvent*) { if (model()) { model()->deleteLater(); } this->deleteLater(); } void PropertyView::keyPressEvent(QKeyEvent* event) { // handle copy event // thanks to https://www.walletfox.com/course/qtableviewcopypaste.php if (!event->matches(QKeySequence::Copy)) { QTableView::keyPressEvent(event); return; } // get the selected rows (if any) QModelIndexList selectedRows = selectionModel()->selectedRows(); // if nothing is selected, copy everything to the clipboard QString text; if (selectedRows.isEmpty()) { // iterate through every row and column and copy the data for (int i = 0; i < model()->rowCount(); ++i) { QStringList rowContents; for (int j = 0; j < model()->columnCount(); ++j) rowContents << model()->index(i, j).data().toString(); text += rowContents.join("\t"); text += "\n"; } } else { // copy the selected rows to the clipboard QItemSelectionRange range = selectionModel()->selection().first(); for (auto i = range.top(); i <= range.bottom(); ++i) { QStringList rowContents; for (auto j = range.left(); j <= range.right(); ++j) rowContents << model()->index(i, j).data().toString(); text += rowContents.join("\t"); text += "\n"; } } QApplication::clipboard()->setText(text); } void PropertyView::copySelectedRowsToClipboard() { // get the selected rows (if any) QModelIndexList selectedRows = selectionModel()->selectedRows(); // if nothing is selected, copy everything to the clipboard QString text; if (selectedRows.isEmpty()) { // iterate through every row and column and copy the data for (int i = 0; i < model()->rowCount(); ++i) { QStringList rowContents; for (int j = 0; j < model()->columnCount(); ++j) rowContents << model()->index(i, j).data().toString(); text += rowContents.join("\t"); text += "\n"; } } else { // copy the selected rows to the clipboard QItemSelectionRange range = selectionModel()->selection().first(); for (auto i = range.top(); i <= range.bottom(); ++i) { QStringList rowContents; for (auto j = range.left(); j <= range.right(); ++j) rowContents << model()->index(i, j).data().toString(); text += rowContents.join("\t"); text += "\n"; } } QApplication::clipboard()->setText(text); } void PropertyView::openExportDialogBox() { // Create a file dialog for selecting the export location and file name QString filePath = QFileDialog::getSaveFileName(this, tr("Export CSV"), QDir::homePath(), tr("CSV Files (*.csv);;All Files (*)")); if (filePath.isEmpty()) { // User canceled the dialog or didn't provide a file name return; } // Open the file for writing QFile file(filePath); if (!file.open(QIODevice::WriteOnly | QIODevice::Text)) { // Handle error opening the file QMessageBox::critical(this, tr("Error"), tr("Could not open the file for writing.")); return; } // Create a QTextStream to write to the file QTextStream stream(&file); // Write the header row with column names for (int col = 0; col < model()->columnCount(); ++col) { stream << model()->headerData(col, Qt::Horizontal).toString(); if (col < model()->columnCount() - 1) { stream << ","; } } stream << "\n"; // Write the data rows for (int row = 0; row < model()->rowCount(); ++row) { for (int col = 0; col < model()->columnCount(); ++col) { stream << model()->index(row, col).data().toString(); if (col < model()->columnCount() - 1) { stream << ","; } } stream << "\n"; } // Close the file file.close(); if (file.error() != QFile::NoError) { // Handle error closing the file QMessageBox::critical(this, tr("Error"), tr("Error writing to the file.")); } } void PropertyView::contextMenuEvent(QContextMenuEvent* event) { QMenu menu(this); QAction* copyAction = menu.addAction(tr("Copy")); menu.addAction(copyAction); connect(copyAction, &QAction::triggered, this, &PropertyView::copySelectedRowsToClipboard); QAction* exportAction = menu.addAction(tr("Export…")); menu.addAction(exportAction); connect(exportAction, &QAction::triggered, this, &PropertyView::openExportDialogBox); menu.exec(event->globalPos()); } } // end namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/propertytables/propertyview.h000066400000000000000000000024211474375334400262010ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_PROPERTYVIEW_H #define AVOGADRO_QTPLUGINS_PROPERTYVIEW_H #include "propertymodel.h" #include class QProgressDialog; namespace Avogadro { namespace QtGui { class Molecule; } class PropertyView : public QTableView { Q_OBJECT public: explicit PropertyView(PropertyType type, QWidget* parent = 0); void selectionChanged(const QItemSelection& selected, const QItemSelection& previous) override; void setMolecule(QtGui::Molecule* molecule); void setSourceModel(PropertyModel* model) { m_model = model; } void hideEvent(QHideEvent* event) override; void contextMenuEvent(QContextMenuEvent* event) override; protected: // copy the selected properties to the clipboard void keyPressEvent(QKeyEvent* event) override; private: PropertyType m_type; QtGui::Molecule* m_molecule; PropertyModel* m_model; void copySelectedRowsToClipboard(); void openExportDialogBox(); }; } // end namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/000077500000000000000000000000001474375334400213065ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/CMakeLists.txt000066400000000000000000000015021474375334400240440ustar00rootroot00000000000000set(qtaimextension_SRCS qtaimextension.cpp qtaimwavefunction.cpp qtaimwavefunctionevaluator.cpp qtaimodeintegrator.cpp qtaimcriticalpointlocator.cpp qtaimmathutilities.cpp qtaimodeintegrator.cpp qtaimlsodaintegrator.cpp qtaimcubature.cpp ) avogadro_plugin(QTAIMExtension "QTAIM extension" ExtensionPlugin qtaimextension.h QTAIMExtension "${qtaimextension_SRCS}" ) target_link_libraries(QTAIMExtension PRIVATE Qt::Concurrent) # The settings widget is not built -- its settings weren't actually used by the # engine in Avogadro 1. The sources are kept for later if we decide to use it. avogadro_plugin(QTAIMScenePlugin "QTAIM scene plugin" ScenePlugin qtaimengine.h QTAIMEngine qtaimengine.cpp ) target_link_libraries(QTAIMScenePlugin PRIVATE Avogadro::Rendering) avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.cpp000066400000000000000000000644341474375334400273110ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #include "qtaimcriticalpointlocator.h" #include "qtaimlsodaintegrator.h" #include "qtaimmathutilities.h" #include "qtaimwavefunctionevaluator.h" #include #include #include #include #include #include #include #include #include #include #include using namespace Eigen; #define HUGE_REAL_NUMBER 1.e20 #define SMALL_GRADIENT_NORM 1.e-4 namespace Avogadro::QtPlugins { namespace helper { template QList QTAIMLocateElectronDensityHelper(QList input) { qint64 counter = 0; const QString fileName = input.at(counter).toString(); counter++; // const qint64 nucleus=input.at(counter).toInt(); counter++ qreal x0 = input.at(counter).toReal(); counter++; qreal y0 = input.at(counter).toReal(); counter++; qreal z0 = input.at(counter).toReal(); counter++; const QVector3D x0y0z0(x0, y0, z0); QTAIMWavefunction wfn; wfn.loadFromBinaryFile(fileName); QTAIMWavefunctionEvaluator eval(wfn); /** The following logic chain was concatenated into a single statement to remove redundant branching, for readability the following table has been included. If any of the logic checks do not meet the expected result, the return value will be `false`, else it will be `true`. logic chain breakdown: | Statement | Expected | |-----------|----------| | eval.electronDensity(x0y0z0) < 1.e-1 | false | | eval.electronDensity(xyz) > 1.e-1 | true | | eval.gradientOfElectronDensityLaplacian(xyz).norm() < 1.e-3 | true | | QTAIMMathUtilities::signatureOfASymmetricThreeByThreeMatrix(eval.hessianOfElectronDensityLaplacian(xyz)) == ExpectedSignatureV | true | */ // Validate initial input to avoid needless costly calculations if (eval.electronDensity(Matrix(x0, y0, z0)) < 1.e-1) { return { false }; } // QTAIMODEIntegrator // ode(eval,QTAIMODEIntegrator::CMBPMinusThreeGradientInElectronDensityLaplacian); QTAIMLSODAIntegrator ode( eval, QTAIMLSODAIntegrator::CMBPMinusThreeGradientInElectronDensityLaplacian); QVector3D result = ode.integrate(x0y0z0); Matrix xyz(result.x(), result.y(), result.z()); // since we are using `&&` operator, lazy evaluation will be used if (eval.electronDensity(xyz) > 1.e-1 && eval.gradientOfElectronDensityLaplacian(xyz).norm() < 1.e-3 && QTAIMMathUtilities::signatureOfASymmetricThreeByThreeMatrix( eval.hessianOfElectronDensityLaplacian(xyz)) == ExpectedSignatureV) { return { true, result.x(), result.y(), result.z() }; } return { false }; } } // namespace helper QList QTAIMLocateNuclearCriticalPoint(QList input) { const QString fileName = input.at(0).toString(); const qint64 nucleus = input.at(1).toInt(); const QVector3D x0y0z0(input.at(2).toReal(), input.at(3).toReal(), input.at(4).toReal()); QTAIMWavefunction wfn; wfn.loadFromBinaryFile(fileName); QTAIMWavefunctionEvaluator eval(wfn); QVector3D result; if (wfn.nuclearCharge(nucleus) < 4) { // QTAIMODEIntegrator // ode(eval,QTAIMODEIntegrator::CMBPMinusThreeGradientInElectronDensity); QTAIMLSODAIntegrator ode( eval, QTAIMLSODAIntegrator::CMBPMinusThreeGradientInElectronDensity); result = ode.integrate(x0y0z0); } else { result = x0y0z0; } if (QTAIMMathUtilities::signatureOfASymmetricThreeByThreeMatrix( eval.hessianOfElectronDensity( Matrix(result.x(), result.y(), result.z()))) == -3) { return { true, result.x(), result.y(), result.z() }; } return { false }; } QList QTAIMLocateBondCriticalPoint(QList input) { const QString wfnFileName = input.at(0).toString(); const QString nuclearCriticalPointsFileName = input.at(1).toString(); const qint64 nucleusA = input.at(2).toInt(); const qint64 nucleusB = input.at(3).toInt(); const QVector3D x0y0z0(input.at(4).toReal(), input.at(5).toReal(), input.at(6).toReal()); QTAIMWavefunction wfn; wfn.loadFromBinaryFile(wfnFileName); QList nuclearCriticalPoints; QFile nuclearCriticalPointsFile(nuclearCriticalPointsFileName); nuclearCriticalPointsFile.open(QIODevice::ReadOnly); QDataStream nuclearCriticalPointsFileIn(&nuclearCriticalPointsFile); nuclearCriticalPointsFileIn >> nuclearCriticalPoints; nuclearCriticalPointsFile.close(); QList> betaSpheres; for (auto nuclearCriticalPoint : nuclearCriticalPoints) { QPair thisBetaSphere; thisBetaSphere.first = nuclearCriticalPoint; thisBetaSphere.second = 0.1; betaSpheres.append(thisBetaSphere); } QTAIMWavefunctionEvaluator eval(wfn); QList ncpList; // QTAIMODEIntegrator // ode(eval,QTAIMODEIntegrator::CMBPMinusOneGradientInElectronDensity); QTAIMLSODAIntegrator ode( eval, QTAIMLSODAIntegrator::CMBPMinusOneGradientInElectronDensity); QVector3D result = ode.integrate(x0y0z0); Matrix xyz(result.x(), result.y(), result.z()); if (!(QTAIMMathUtilities::signatureOfASymmetricThreeByThreeMatrix( eval.hessianOfElectronDensity(xyz)) == -1) || (eval.gradientOfElectronDensity(xyz)).norm() > SMALL_GRADIENT_NORM) { return { false, result.x(), result.y(), result.z() }; } Matrix eigenvectorsOfHessian = QTAIMMathUtilities::eigenvectorsOfASymmetricThreeByThreeMatrix( eval.hessianOfElectronDensity(xyz)); Matrix highestEigenvectorOfHessian(eigenvectorsOfHessian(0, 2), eigenvectorsOfHessian(1, 2), eigenvectorsOfHessian(2, 2)); const qreal smallStep = 0.01; QVector3D forwardStartingPoint( result.x() + smallStep * highestEigenvectorOfHessian(0), result.y() + smallStep * highestEigenvectorOfHessian(1), result.z() + smallStep * highestEigenvectorOfHessian(2)); QVector3D backwardStartingPoint( result.x() - smallStep * highestEigenvectorOfHessian(0), result.y() - smallStep * highestEigenvectorOfHessian(1), result.z() - smallStep * highestEigenvectorOfHessian(2)); // QTAIMODEIntegrator // forwardODE(eval,QTAIMODEIntegrator::SteepestAscentPathInElectronDensity); QTAIMLSODAIntegrator forwardODE( eval, QTAIMLSODAIntegrator::SteepestAscentPathInElectronDensity); forwardODE.setBetaSpheres(betaSpheres); QVector3D forwardEndpoint = forwardODE.integrate(forwardStartingPoint); QList forwardPath = forwardODE.path(); // QTAIMODEIntegrator // backwardODE(eval,QTAIMODEIntegrator::SteepestAscentPathInElectronDensity); QTAIMLSODAIntegrator backwardODE( eval, QTAIMLSODAIntegrator::SteepestAscentPathInElectronDensity); backwardODE.setBetaSpheres(betaSpheres); QVector3D backwardEndpoint = backwardODE.integrate(backwardStartingPoint); QList backwardPath = backwardODE.path(); // Find and store the forward and backward nucleus index for pair connection // check qreal minForwardDistance = HUGE_REAL_NUMBER; qreal minBackwardDistance = HUGE_REAL_NUMBER; qint64 backwardNucleusIndex = 0; qint64 forwardNucleusIndex = 0; // cache unchanged points const Matrix forwardPoint( forwardEndpoint.x(), forwardEndpoint.y(), forwardEndpoint.z()); const Matrix backwardPoint( backwardEndpoint.x(), backwardEndpoint.y(), backwardEndpoint.z()); for (qint64 n = 0; n < wfn.numberOfNuclei(); ++n) { const Matrix wavePoint(wfn.xNuclearCoordinate(n), wfn.yNuclearCoordinate(n), wfn.zNuclearCoordinate(n)); qreal fDistance = QTAIMMathUtilities::distance(forwardPoint, wavePoint); qreal bDistance = QTAIMMathUtilities::distance(backwardPoint, wavePoint); if (fDistance < minForwardDistance) { minForwardDistance = fDistance; forwardNucleusIndex = n; } if (bDistance < minBackwardDistance) { minBackwardDistance = bDistance; backwardNucleusIndex = n; } } QList value; // if statement checks if bond path connects pair if ((forwardNucleusIndex == nucleusA && backwardNucleusIndex == nucleusB) || (forwardNucleusIndex == nucleusB && backwardNucleusIndex == nucleusA)) { value.append(true); value.append(nucleusA); value.append(nucleusB); value.append(result.x()); value.append(result.y()); value.append(result.z()); const Matrix xyz_(result.x(), result.y(), result.z()); value.append(eval.laplacianOfElectronDensity(xyz_)); value.append(QTAIMMathUtilities::ellipticityOfASymmetricThreeByThreeMatrix( eval.hessianOfElectronDensity(xyz_))); value.append(1 + forwardPath.length() + 1 + backwardPath.length() + 1); value.append(forwardEndpoint.x()); for (qint64 i = forwardPath.length() - 1; i >= 0; --i) { value.append(forwardPath.at(i).x()); } value.append(result.x()); for (auto i : backwardPath) { value.append(i.x()); } value.append(backwardEndpoint.x()); value.append(forwardEndpoint.y()); for (qint64 i = forwardPath.length() - 1; i >= 0; --i) { value.append(forwardPath.at(i).y()); } value.append(result.y()); for (auto i : backwardPath) { value.append(i.y()); } value.append(backwardEndpoint.y()); value.append(forwardEndpoint.z()); for (qint64 i = forwardPath.length() - 1; i >= 0; --i) { value.append(forwardPath.at(i).z()); } value.append(result.z()); for (auto i : backwardPath) { value.append(i.z()); } value.append(backwardEndpoint.z()); } else { value.append(false); // for debugging value.append(result.x()); value.append(result.y()); value.append(result.z()); } return value; } QList QTAIMLocateElectronDensitySink(QList input) { /** This function acts as a wrapper to consolidate code The primary functionality only deviates from other functions in its expected value for QTAIMMathUtilities::signatureOfASymmetricThreeByThreeMatrix(eval.hessianOfElectronDensityLaplacian(**Integrated Point**)) which is passed in as a template parameter to the helper function. At the time of writing this value is -3. */ return helper::QTAIMLocateElectronDensityHelper<-3>(input); } QList QTAIMLocateElectronDensitySource(QList input) { /** This function acts as a wrapper to consolidate code The primary functionality only deviates from other functions in its expected value for QTAIMMathUtilities::signatureOfASymmetricThreeByThreeMatrix(eval.hessianOfElectronDensityLaplacian(**Integrated Point**)) which is passed in as a template parameter to the helper function. At the time of writing this value is 3. */ return helper::QTAIMLocateElectronDensityHelper<3>(input); } QTAIMCriticalPointLocator::QTAIMCriticalPointLocator(QTAIMWavefunction& wfn) { m_wfn = &wfn; m_nuclearCriticalPoints.empty(); m_bondCriticalPoints.empty(); m_ringCriticalPoints.empty(); m_cageCriticalPoints.empty(); m_laplacianAtBondCriticalPoints.empty(); m_ellipticityAtBondCriticalPoints.empty(); m_bondPaths.empty(); m_bondedAtoms.empty(); m_electronDensitySources.empty(); m_electronDensitySinks.empty(); } void QTAIMCriticalPointLocator::locateNuclearCriticalPoints() { QString tempFileName = QTAIMCriticalPointLocator::temporaryFileName(); QList> inputList; const qint64 numberOfNuclei = m_wfn->numberOfNuclei(); for (qint64 n = 0; n < numberOfNuclei; ++n) { QList input; input.append(tempFileName); input.append(n); input.append(m_wfn->xNuclearCoordinate(n)); input.append(m_wfn->yNuclearCoordinate(n)); input.append(m_wfn->zNuclearCoordinate(n)); inputList.append(input); } m_wfn->saveToBinaryFile(tempFileName); QProgressDialog dialog; dialog.setWindowTitle("QTAIM"); dialog.setLabelText(QString("Nuclear Critical Points Search")); QFutureWatcher futureWatcher; QObject::connect(&futureWatcher, SIGNAL(finished()), &dialog, SLOT(reset())); QObject::connect(&dialog, SIGNAL(canceled()), &futureWatcher, SLOT(cancel())); QObject::connect(&futureWatcher, SIGNAL(progressRangeChanged(int, int)), &dialog, SLOT(setRange(int, int))); QObject::connect(&futureWatcher, SIGNAL(progressValueChanged(int)), &dialog, SLOT(setValue(int))); QFuture> future = QtConcurrent::mapped(inputList, QTAIMLocateNuclearCriticalPoint); futureWatcher.setFuture(future); dialog.exec(); futureWatcher.waitForFinished(); QList> results; if (futureWatcher.future().isCanceled()) { results.clear(); } else { results = future.results(); } QFile file; file.remove(tempFileName); for (const auto & n : results) { if (n.at(0).toBool()) { QVector3D result(n.at(1).toReal(), n.at(2).toReal(), n.at(3).toReal()); m_nuclearCriticalPoints.append(result); } } } void QTAIMCriticalPointLocator::locateBondCriticalPoints() { if (m_nuclearCriticalPoints.length() < 1) { return; } const qint64 numberOfNuclei = m_wfn->numberOfNuclei(); if (numberOfNuclei < 2) { return; } QString tempFileName = QTAIMCriticalPointLocator::temporaryFileName(); QString nuclearCriticalPointsFileName = QTAIMCriticalPointLocator::temporaryFileName(); QFile nuclearCriticalPointsFile(nuclearCriticalPointsFileName); nuclearCriticalPointsFile.open(QIODevice::WriteOnly); QDataStream nuclearCriticalPointsOut(&nuclearCriticalPointsFile); nuclearCriticalPointsOut << m_nuclearCriticalPoints; nuclearCriticalPointsFile.close(); QList> inputList; for (qint64 M = 0; M < numberOfNuclei - 1; ++M) { for (qint64 N = M + 1; N < numberOfNuclei; ++N) { const qreal distanceCutoff = 8.0; Matrix a; Matrix b; a << m_wfn->xNuclearCoordinate(M), m_wfn->yNuclearCoordinate(M), m_wfn->zNuclearCoordinate(M); b << m_wfn->xNuclearCoordinate(N), m_wfn->yNuclearCoordinate(N), m_wfn->zNuclearCoordinate(N); if (QTAIMMathUtilities::distance(a, b) < distanceCutoff) { QVector3D x0y0z0( (m_wfn->xNuclearCoordinate(M) + m_wfn->xNuclearCoordinate(N)) / 2.0, (m_wfn->yNuclearCoordinate(M) + m_wfn->yNuclearCoordinate(N)) / 2.0, (m_wfn->zNuclearCoordinate(M) + m_wfn->zNuclearCoordinate(N)) / 2.0); QList input; input.append(tempFileName); input.append(nuclearCriticalPointsFileName); input.append(M); input.append(N); input.append(x0y0z0.x()); input.append(x0y0z0.y()); input.append(x0y0z0.z()); inputList.append(input); } } // end N } // end M m_wfn->saveToBinaryFile(tempFileName); QProgressDialog dialog; dialog.setWindowTitle("QTAIM"); dialog.setLabelText(QString("Bond Critical Points Search")); QFutureWatcher futureWatcher; QObject::connect(&futureWatcher, SIGNAL(finished()), &dialog, SLOT(reset())); QObject::connect(&dialog, SIGNAL(canceled()), &futureWatcher, SLOT(cancel())); QObject::connect(&futureWatcher, SIGNAL(progressRangeChanged(int, int)), &dialog, SLOT(setRange(int, int))); QObject::connect(&futureWatcher, SIGNAL(progressValueChanged(int)), &dialog, SLOT(setValue(int))); QFuture> future = QtConcurrent::mapped(inputList, QTAIMLocateBondCriticalPoint); ; futureWatcher.setFuture(future); dialog.exec(); futureWatcher.waitForFinished(); QList> results; if (futureWatcher.future().isCanceled()) { results.clear(); } else { results = future.results(); } QFile file; file.remove(tempFileName); file.remove(nuclearCriticalPointsFileName); for (const auto& thisCriticalPoint : results) { bool success = thisCriticalPoint.at(0).toBool(); if (success) { QPair bondedAtoms_; bondedAtoms_.first = thisCriticalPoint.at(1).toInt(); bondedAtoms_.second = thisCriticalPoint.at(2).toInt(); m_bondedAtoms.append(bondedAtoms_); QVector3D coordinates(thisCriticalPoint.at(3).toReal(), thisCriticalPoint.at(4).toReal(), thisCriticalPoint.at(5).toReal()); m_bondCriticalPoints.append(coordinates); m_laplacianAtBondCriticalPoints.append(thisCriticalPoint.at(6).toReal()); m_ellipticityAtBondCriticalPoints.append( thisCriticalPoint.at(7).toReal()); qint64 pathLength = thisCriticalPoint.at(8).toInt(); QList bondPath; for (qint64 j = 0; j < pathLength; ++j) { QVector3D pathPoint( thisCriticalPoint.at(9 + j).toReal(), thisCriticalPoint.at(9 + j + pathLength).toReal(), thisCriticalPoint.at(9 + j + 2 * pathLength).toReal()); bondPath.append(pathPoint); } m_bondPaths.append(bondPath); } } } void QTAIMCriticalPointLocator::locateElectronDensitySources() { QString tempFileName = QTAIMCriticalPointLocator::temporaryFileName(); QList> inputList; qreal xmin, ymin, zmin; qreal xmax, ymax, zmax; qreal xstep, ystep, zstep; // TODO: if only we were using Eigen data structures... QList xNuclearCoordinates; QList yNuclearCoordinates; QList zNuclearCoordinates; for (qint64 i = 0; i < m_wfn->numberOfNuclei(); ++i) { xNuclearCoordinates.append(m_wfn->xNuclearCoordinate(i)); yNuclearCoordinates.append(m_wfn->yNuclearCoordinate(i)); zNuclearCoordinates.append(m_wfn->zNuclearCoordinate(i)); } xmin = xNuclearCoordinates.first(); xmax = xNuclearCoordinates.first(); for (qint64 i = 1; i < m_wfn->numberOfNuclei(); ++i) { if (xNuclearCoordinates.at(i) < xmin) { xmin = xNuclearCoordinates.at(i); } if (xNuclearCoordinates.at(i) > xmax) { xmax = xNuclearCoordinates.at(i); } } ymin = yNuclearCoordinates.first(); ymax = yNuclearCoordinates.first(); for (qint64 i = 1; i < yNuclearCoordinates.count(); ++i) { if (yNuclearCoordinates.at(i) < ymin) { ymin = yNuclearCoordinates.at(i); } if (yNuclearCoordinates.at(i) > ymax) { ymax = yNuclearCoordinates.at(i); } } zmin = zNuclearCoordinates.first(); zmax = zNuclearCoordinates.first(); for (qint64 i = 1; i < zNuclearCoordinates.count(); ++i) { if (zNuclearCoordinates.at(i) < zmin) { zmin = zNuclearCoordinates.at(i); } if (zNuclearCoordinates.at(i) > zmax) { zmax = zNuclearCoordinates.at(i); } } xmin = -2.0 + xmin; ymin = -2.0 + ymin; zmin = -2.0 + zmin; xmax = 2.0 + xmax; ymax = 2.0 + ymax; zmax = 2.0 + zmax; xstep = ystep = zstep = 0.5; for (qreal x = xmin; x < xmax + xstep; x = x + xstep) { for (qreal y = ymin; y < ymax + ystep; y = y + ystep) { for (qreal z = zmin; z < zmax + zstep; z = z + zstep) { QList input; input.append(tempFileName); // input.append( n ); input.append(x); input.append(y); input.append(z); inputList.append(input); } } } m_wfn->saveToBinaryFile(tempFileName); QProgressDialog dialog; dialog.setWindowTitle("QTAIM"); dialog.setLabelText(QString("Electron Density Sources Search")); QFutureWatcher futureWatcher; QObject::connect(&futureWatcher, SIGNAL(finished()), &dialog, SLOT(reset())); QObject::connect(&dialog, SIGNAL(canceled()), &futureWatcher, SLOT(cancel())); QObject::connect(&futureWatcher, SIGNAL(progressRangeChanged(int, int)), &dialog, SLOT(setRange(int, int))); QObject::connect(&futureWatcher, SIGNAL(progressValueChanged(int)), &dialog, SLOT(setValue(int))); QFuture> future = QtConcurrent::mapped(inputList, QTAIMLocateElectronDensitySource); futureWatcher.setFuture(future); dialog.exec(); futureWatcher.waitForFinished(); QList> results; if (futureWatcher.future().isCanceled()) { results.clear(); } else { results = future.results(); } QFile file; file.remove(tempFileName); for (const auto & n : results) { if (n.at(0).toBool()) { qreal x = n.at(1).toReal(); qreal y = n.at(2).toReal(); qreal z = n.at(3).toReal(); if ((xmin < x && x < xmax) && (ymin < y && y < ymax) && (zmin < z && z < zmax)) { QVector3D result(x, y, z); qreal smallestDistance = HUGE_REAL_NUMBER; for (auto m_electronDensitySource : m_electronDensitySources) { Matrix a(x, y, z); Matrix b(m_electronDensitySource.x(), m_electronDensitySource.y(), m_electronDensitySource.z()); qreal distance = QTAIMMathUtilities::distance(a, b); if (distance < smallestDistance) { smallestDistance = distance; } } if (smallestDistance > 1.e-2) { m_electronDensitySources.append(result); } } } } // qDebug() << "SOURCES" << m_electronDensitySources; } void QTAIMCriticalPointLocator::locateElectronDensitySinks() { QString tempFileName = QTAIMCriticalPointLocator::temporaryFileName(); QList> inputList; qreal xmin, ymin, zmin; qreal xmax, ymax, zmax; qreal xstep, ystep, zstep; // TODO: if only we were using Eigen data structures... QList xNuclearCoordinates; QList yNuclearCoordinates; QList zNuclearCoordinates; for (qint64 i = 0; i < m_wfn->numberOfNuclei(); ++i) { xNuclearCoordinates.append(m_wfn->xNuclearCoordinate(i)); yNuclearCoordinates.append(m_wfn->yNuclearCoordinate(i)); zNuclearCoordinates.append(m_wfn->zNuclearCoordinate(i)); } xmin = xNuclearCoordinates.first(); xmax = xNuclearCoordinates.first(); for (qint64 i = 1; i < m_wfn->numberOfNuclei(); ++i) { if (xNuclearCoordinates.at(i) < xmin) { xmin = xNuclearCoordinates.at(i); } if (xNuclearCoordinates.at(i) > xmax) { xmax = xNuclearCoordinates.at(i); } } ymin = yNuclearCoordinates.first(); ymax = yNuclearCoordinates.first(); for (qint64 i = 1; i < yNuclearCoordinates.count(); ++i) { if (yNuclearCoordinates.at(i) < ymin) { ymin = yNuclearCoordinates.at(i); } if (yNuclearCoordinates.at(i) > ymax) { ymax = yNuclearCoordinates.at(i); } } zmin = zNuclearCoordinates.first(); zmax = zNuclearCoordinates.first(); for (qint64 i = 1; i < zNuclearCoordinates.count(); ++i) { if (zNuclearCoordinates.at(i) < zmin) { zmin = zNuclearCoordinates.at(i); } if (zNuclearCoordinates.at(i) > zmax) { zmax = zNuclearCoordinates.at(i); } } xmin = -2.0 + xmin; ymin = -2.0 + ymin; zmin = -2.0 + zmin; xmax = 2.0 + xmax; ymax = 2.0 + ymax; zmax = 2.0 + zmax; xstep = ystep = zstep = 0.5; for (qreal x = xmin; x < xmax + xstep; x = x + xstep) { for (qreal y = ymin; y < ymax + ystep; y = y + ystep) { for (qreal z = zmin; z < zmax + zstep; z = z + zstep) { QList input; input.append(tempFileName); // input.append( n ); input.append(x); input.append(y); input.append(z); inputList.append(input); } } } m_wfn->saveToBinaryFile(tempFileName); QProgressDialog dialog; dialog.setWindowTitle("QTAIM"); dialog.setLabelText(QString("Electron Density Sinks Search")); QFutureWatcher futureWatcher; QObject::connect(&futureWatcher, SIGNAL(finished()), &dialog, SLOT(reset())); QObject::connect(&dialog, SIGNAL(canceled()), &futureWatcher, SLOT(cancel())); QObject::connect(&futureWatcher, SIGNAL(progressRangeChanged(int, int)), &dialog, SLOT(setRange(int, int))); QObject::connect(&futureWatcher, SIGNAL(progressValueChanged(int)), &dialog, SLOT(setValue(int))); QFuture> future = QtConcurrent::mapped(inputList, QTAIMLocateElectronDensitySink); futureWatcher.setFuture(future); dialog.exec(); futureWatcher.waitForFinished(); QList> results; if (futureWatcher.future().isCanceled()) { results.clear(); } else { results = future.results(); } QFile file; file.remove(tempFileName); for (const auto & n : results) { if (n.at(0).toBool()) { qreal x = n.at(1).toReal(); qreal y = n.at(2).toReal(); qreal z = n.at(3).toReal(); if ((xmin < x && x < xmax) && (ymin < y && y < ymax) && (zmin < z && z < zmax)) { QVector3D result(x, y, z); qreal smallestDistance = HUGE_REAL_NUMBER; for (auto m_electronDensitySink : m_electronDensitySinks) { Matrix a(x, y, z); Matrix b(m_electronDensitySink.x(), m_electronDensitySink.y(), m_electronDensitySink.z()); qreal distance = QTAIMMathUtilities::distance(a, b); if (distance < smallestDistance) { smallestDistance = distance; } } if (smallestDistance > 1.e-2) { m_electronDensitySinks.append(result); } } } } // qDebug() << "SINKS" << m_electronDensitySinks; } QString QTAIMCriticalPointLocator::temporaryFileName() { QTemporaryFile temporaryFile; temporaryFile.open(); QString tempFileName = temporaryFile.fileName(); temporaryFile.close(); temporaryFile.remove(); // wait for temporary file to be deleted QDir dir; do { // Nothing } while (dir.exists(tempFileName)); return tempFileName; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.h000066400000000000000000000050031474375334400267410ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #ifndef QTAIMCRITICALPOINTLOCATOR_H #define QTAIMCRITICALPOINTLOCATOR_H #include "qtaimwavefunction.h" #include #include #include #include namespace Avogadro::QtPlugins { class QTAIMCriticalPointLocator { public: explicit QTAIMCriticalPointLocator(QTAIMWavefunction& wfn); void locateNuclearCriticalPoints(); void locateBondCriticalPoints(); void locateElectronDensitySources(); void locateElectronDensitySinks(); QList nuclearCriticalPoints() const { return m_nuclearCriticalPoints; } QList bondCriticalPoints() const { return m_bondCriticalPoints; } QList ringCriticalPoints() const { return m_ringCriticalPoints; } QList cageCriticalPoints() const { return m_cageCriticalPoints; } QList laplacianAtBondCriticalPoints() const { return m_laplacianAtBondCriticalPoints; } QList ellipticityAtBondCriticalPoints() const { return m_ellipticityAtBondCriticalPoints; } QList> bondPaths() { return m_bondPaths; } QList> bondedAtoms() { return m_bondedAtoms; } QList electronDensitySources() const { return m_electronDensitySources; } QList electronDensitySinks() const { return m_electronDensitySinks; } private: QTAIMWavefunction* m_wfn; QList m_nuclearCriticalPoints; QList m_bondCriticalPoints; QList m_ringCriticalPoints; QList m_cageCriticalPoints; QList m_laplacianAtBondCriticalPoints; QList m_ellipticityAtBondCriticalPoints; QList> m_bondedAtoms; QList> m_bondPaths; QList m_electronDensitySources; QList m_electronDensitySinks; QString temporaryFileName(); }; } // namespace Avogadro::QtPlugins #endif // QTAIMCRITICALPOINTLOCATOR_H avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/qtaimcubature.cpp000066400000000000000000002061561474375334400246720ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2010 Eric C. Brown This source code is released under the GPL v3 or later (the "License"). You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA. Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ /* Based on */ /* http://ab-initio.mit.edu/cubature/cubature-20101018.tgz */ /* Adaptive multidimensional integration of a vector of integrands. * * Copyright (c) 2005-2010 Steven G. Johnson * * Portions (see comments) based on HIntLib (also distributed under * the GNU GPL, v2 or later), copyright (c) 2002-2005 Rudolf Schuerer. * (http://www.cosy.sbg.ac.at/~rschuer/hintlib/) * * Portions (see comments) based on GNU GSL (also distributed under * the GNU GPL, v2 or later), copyright (c) 1996-2000 Brian Gough. * (http://www.gnu.org/software/gsl/) * * This program is free software; you can redistribute it and/or modify * it under the terms of the GNU General Public License as published by * the Free Software Foundation; either version 2 of the License, or * (at your option) any later version. * * This program is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with this program; if not, write to the Free Software * Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA * */ #include "qtaimcubature.h" #include "qtaimcriticalpointlocator.h" #include "qtaimlsodaintegrator.h" #include "qtaimmathutilities.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include /* Adaptive multidimensional integration on hypercubes (or, really, hyper-rectangles) using cubature rules. A cubature rule takes a function and a hypercube and evaluates the function at a small number of points, returning an estimate of the integral as well as an estimate of the error, and also a suggested dimension of the hypercube to subdivide. Given such a rule, the adaptive integration is simple: 1) Evaluate the cubature rule on the hypercube(s). Stop if converged. 2) Pick the hypercube with the largest estimated error, and divide it in two along the suggested dimension. 3) Goto (1). The basic algorithm is based on the adaptive cubature described in A. C. Genz and A. A. Malik, "An adaptive algorithm for numeric integration over an N-dimensional rectangular region," J. Comput. Appl. Math. 6 (4), 295-302 (1980). and subsequently extended to integrating a vector of integrands in J. Berntsen, T. O. Espelid, and A. Genz, "An adaptive algorithm for the approximate calculation of multiple integrals," ACM Trans. Math. Soft. 17 (4), 437-451 (1991). Note, however, that we do not use any of code from the above authors (in part because their code is Fortran 77, but mostly because it is under the restrictive ACM copyright license). I did make use of some GPL code from Rudolf Schuerer's HIntLib and from the GNU Scientific Library as listed in the copyright notice above, on the other hand. I am also grateful to Dmitry Turbiner , who implemented an initial prototype of the "vectorized" functionality for evaluating multiple points in a single call (as opposed to multiple functions in a single call). (Although Dmitry implemented a working version, I ended up re-implementing this feature from scratch as part of a larger code-cleanup, and in order to have a single code path for the vectorized and non-vectorized APIs. I subsequently implemented the algorithm by Gladwell to extract even more parallelism by evaluating many hypercubes at once.) TODO: * Putting these routines into the GNU GSL library would be nice. * A Python interface would be nice. (Also a Matlab interface, a GNU Octave interface, ...) * For high-dimensional integrals, it would be nice to implement a sparse-grid cubature scheme using Clenshaw-Curtis quadrature. Currently, for dimensions > 7 or so, quasi Monte Carlo methods win. * Berntsen et. al also describe a "two-level" error estimation scheme that they claim makes the algorithm more robust. It might be nice to implement this, at least as an option (although I seem to remember trying it once and it made the number of evaluations substantially worse for my test integrands). */ /* USAGE: Call adapt_integrate with your function as described in cubature.h. To compile a test program, compile cubature.c with -DTEST_INTEGRATOR as described at the end. */ using namespace Avogadro::QtPlugins; /* error return codes */ #define SUCCESS 0 #define FAILURE 1 /***************************************************************************/ /* Basic datatypes */ using esterr = struct { double val, err; }; static double relError(esterr ee) { return (ee.val == 0.0 ? HUGE_VAL : fabs(ee.err / ee.val)); } static double errMax(unsigned int fdim, const esterr* ee) { double errmax = 0; unsigned int k; for (k = 0; k < fdim; ++k) if (ee[k].err > errmax) errmax = ee[k].err; return errmax; } using hypercube = struct { unsigned int dim; double* data; /* length 2*dim = center followed by half-widths */ double vol; /* cache volume = product of widths */ }; static double compute_vol(const hypercube* h) { unsigned int i; double vol = 1; for (i = 0; i < h->dim; ++i) vol *= 2 * h->data[i + h->dim]; return vol; } static hypercube make_hypercube(unsigned int dim, const double* center, const double* halfwidth) { unsigned int i; hypercube h; h.dim = dim; h.data = (double*)malloc(sizeof(double) * dim * 2); h.vol = 0; if (h.data) { for (i = 0; i < dim; ++i) { h.data[i] = center[i]; h.data[i + dim] = halfwidth[i]; } h.vol = compute_vol(&h); } return h; } static hypercube make_hypercube_range(unsigned int dim, const double* xmin, const double* xmax) { hypercube h = make_hypercube(dim, xmin, xmax); unsigned int i; if (h.data) { for (i = 0; i < dim; ++i) { h.data[i] = 0.5 * (xmin[i] + xmax[i]); h.data[i + dim] = 0.5 * (xmax[i] - xmin[i]); } h.vol = compute_vol(&h); } return h; } static void destroy_hypercube(hypercube* h) { free(h->data); h->dim = 0; } using region = struct { hypercube h; unsigned int splitDim; unsigned int fdim; /* dimensionality of vector integrand */ esterr* ee; /* array of length fdim */ double errmax; /* max ee[k].err */ }; static region make_region(const hypercube* h, unsigned int fdim) { region R; R.h = make_hypercube(h->dim, h->data, h->data + h->dim); R.splitDim = 0; R.fdim = fdim; R.ee = R.h.data ? (esterr*)malloc(sizeof(esterr) * fdim) : nullptr; return R; } static void destroy_region(region* R) { destroy_hypercube(&R->h); free(R->ee); R->ee = nullptr; } static int cut_region(region* R, region* R2) { unsigned int d = R->splitDim, dim = R->h.dim; *R2 = *R; R->h.data[d + dim] *= 0.5; R->h.vol *= 0.5; R2->h = make_hypercube(dim, R->h.data, R->h.data + dim); if (!R2->h.data) return FAILURE; R->h.data[d] -= R->h.data[d + dim]; R2->h.data[d] += R->h.data[d + dim]; R2->ee = (esterr*)malloc(sizeof(esterr) * R2->fdim); return R2->ee == nullptr; } struct rule_s; /* forward declaration */ using evalError_func = int (*)(struct rule_s*, unsigned int, integrand_v, void*, unsigned int, region*); using destroy_func = void (*)(struct rule_s*); using rule = struct rule_s { unsigned int dim, fdim; /* the dimensionality & number of functions */ unsigned int num_points; /* number of evaluation points */ unsigned int num_regions; /* max number of regions evaluated at once */ double* pts; /* points to eval: num_regions * num_points * dim */ double* vals; /* num_regions * num_points * fdim */ evalError_func evalError; destroy_func destroy; }; static void destroy_rule(rule* r) { if (r) { if (r->destroy) r->destroy(r); free(r->pts); free(r); } } static int alloc_rule_pts(rule* r, unsigned int num_regions) { if (num_regions > r->num_regions) { free(r->pts); r->pts = r->vals = nullptr; r->num_regions = 0; num_regions *= 2; /* allocate extra so that repeatedly calling alloc_rule_pts with growing num_regions only needs a logarithmic number of allocations */ r->pts = (double*)malloc( sizeof(double) * (num_regions * r->num_points * (r->dim + r->fdim))); if (r->fdim + r->dim > 0 && !r->pts) return FAILURE; r->vals = r->pts + num_regions * r->num_points * r->dim; r->num_regions = num_regions; } return SUCCESS; } static rule* make_rule(size_t sz, /* >= sizeof(rule) */ unsigned int dim, unsigned int fdim, unsigned int num_points, evalError_func evalError, destroy_func destroy) { rule* r; if (sz < sizeof(rule)) return nullptr; r = (rule*)malloc(sz); if (!r) return nullptr; r->pts = r->vals = nullptr; r->num_regions = 0; r->dim = dim; r->fdim = fdim; r->num_points = num_points; r->evalError = evalError; r->destroy = destroy; return r; } /* note: all regions must have same fdim */ static int eval_regions(unsigned int nR, region* R, integrand_v f, void* fdata, rule* r) { unsigned int iR; if (nR == 0) return SUCCESS; /* nothing to evaluate */ if (r->evalError(r, R->fdim, f, fdata, nR, R)) return FAILURE; for (iR = 0; iR < nR; ++iR) R[iR].errmax = errMax(R->fdim, R[iR].ee); return SUCCESS; } /***************************************************************************/ /* Functions to loop over points in a hypercube. */ /* Based on orbitrule.cpp in HIntLib-0.0.10 */ /* ls0 returns the least-significant 0 bit of n (e.g. it returns 0 if the LSB is 0, it returns 1 if the 2 LSBs are 01, etcetera). */ static unsigned int ls0(unsigned int n) { #if defined(__GNUC__) && \ ((__GNUC__ == 3 && __GNUC_MINOR__ >= 4) || __GNUC__ > 3) return __builtin_ctz(~n); /* gcc builtin for version >= 3.4 */ #else const unsigned int bits[256] = { 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 4, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 5, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 4, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 6, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 4, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 5, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 4, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 7, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 4, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 5, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 4, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 6, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 4, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 5, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 4, 0, 1, 0, 2, 0, 1, 0, 3, 0, 1, 0, 2, 0, 1, 0, 8, }; unsigned int bit = 0; while ((n & 0xff) == 0xff) { n >>= 8; bit += 8; } return bit + bits[n & 0xff]; #endif } /** * Evaluate the integration points for all 2^n points (+/-r,...+/-r) * * A Gray-code ordering is used to minimize the number of coordinate updates * in p, although this doesn't matter as much now that we are saving all pts. */ static void evalR_Rfs(double* pts, unsigned int dim, double* p, const double* c, const double* r) { unsigned int i; unsigned int signs = 0; /* 0/1 bit = +/- for corresponding element of r[] */ /* We start with the point where r is ADDed in every coordinate (this implies signs=0). */ for (i = 0; i < dim; ++i) p[i] = c[i] + r[i]; /* Loop through the points in Gray-code ordering */ for (i = 0;; ++i) { unsigned int mask, d; memcpy(pts, p, sizeof(double) * dim); pts += dim; d = ls0(i); /* which coordinate to flip */ if (d >= dim) break; /* flip the d-th bit and add/subtract r[d] */ mask = 1U << d; signs ^= mask; p[d] = (signs & mask) ? c[d] - r[d] : c[d] + r[d]; } } static void evalRR0_0fs(double* pts, unsigned int dim, double* p, const double* c, const double* r) { unsigned int i, j; for (i = 0; i < dim - 1; ++i) { p[i] = c[i] - r[i]; for (j = i + 1; j < dim; ++j) { p[j] = c[j] - r[j]; memcpy(pts, p, sizeof(double) * dim); pts += dim; p[i] = c[i] + r[i]; memcpy(pts, p, sizeof(double) * dim); pts += dim; p[j] = c[j] + r[j]; memcpy(pts, p, sizeof(double) * dim); pts += dim; p[i] = c[i] - r[i]; memcpy(pts, p, sizeof(double) * dim); pts += dim; p[j] = c[j]; /* Done with j -> Restore p[j] */ } p[i] = c[i]; /* Done with i -> Restore p[i] */ } } static void evalR0_0fs4d(double* pts, unsigned int dim, double* p, const double* c, const double* r1, const double* r2) { unsigned int i; memcpy(pts, p, sizeof(double) * dim); pts += dim; for (i = 0; i < dim; i++) { p[i] = c[i] - r1[i]; memcpy(pts, p, sizeof(double) * dim); pts += dim; p[i] = c[i] + r1[i]; memcpy(pts, p, sizeof(double) * dim); pts += dim; p[i] = c[i] - r2[i]; memcpy(pts, p, sizeof(double) * dim); pts += dim; p[i] = c[i] + r2[i]; memcpy(pts, p, sizeof(double) * dim); pts += dim; p[i] = c[i]; } } #define num0_0(dim) (1U) #define numR0_0fs(dim) (2 * (dim)) #define numRR0_0fs(dim) (2 * (dim) * (dim - 1)) #define numR_Rfs(dim) (1U << (dim)) /***************************************************************************/ /* Based on rule75genzmalik.cpp in HIntLib-0.0.10: An embedded cubature rule of degree 7 (embedded rule degree 5) due to A. C. Genz and A. A. Malik. See: A. C. Genz and A. A. Malik, "An imbedded [sic] family of fully symmetric numerical integration rules," SIAM J. Numer. Anal. 20 (3), 580-588 (1983). */ using rule75genzmalik = struct { rule parent; /* temporary arrays of length dim */ double *widthLambda, *widthLambda2, *p; /* dimension-dependent constants */ double weight1, weight3, weight5; double weightE1, weightE3; }; #define real(x) ((double)(x)) #define to_int(n) ((int)(n)) static int isqr(int x) { return x * x; } static void destroy_rule75genzmalik(rule* r_) { auto* r = (rule75genzmalik*)r_; free(r->p); } static int rule75genzmalik_evalError(rule* r_, unsigned int fdim, integrand_v f, void* fdata, unsigned int nR, region* R) { /* lambda2 = sqrt(9/70), lambda4 = sqrt(9/10), lambda5 = sqrt(9/19) */ const double lambda2 = 0.3585685828003180919906451539079374954541; const double lambda4 = 0.9486832980505137995996680633298155601160; const double lambda5 = 0.6882472016116852977216287342936235251269; const double weight2 = 980. / 6561.; const double weight4 = 200. / 19683.; const double weightE2 = 245. / 486.; const double weightE4 = 25. / 729.; const double ratio = (lambda2 * lambda2) / (lambda4 * lambda4); auto* r = (rule75genzmalik*)r_; unsigned int i, j, iR, dim = r_->dim, npts = 0; double *diff, *pts, *vals; if (alloc_rule_pts(r_, nR)) return FAILURE; pts = r_->pts; vals = r_->vals; for (iR = 0; iR < nR; ++iR) { const double* center = R[iR].h.data; const double* halfwidth = R[iR].h.data + dim; for (i = 0; i < dim; ++i) r->p[i] = center[i]; for (i = 0; i < dim; ++i) r->widthLambda2[i] = halfwidth[i] * lambda2; for (i = 0; i < dim; ++i) r->widthLambda[i] = halfwidth[i] * lambda4; /* Evaluate points in the center, in (lambda2,0,...,0) and (lambda3=lambda4, 0,...,0). */ evalR0_0fs4d(pts + npts * dim, dim, r->p, center, r->widthLambda2, r->widthLambda); npts += num0_0(dim) + 2 * numR0_0fs(dim); /* Calculate points for (lambda4, lambda4, 0, ...,0) */ evalRR0_0fs(pts + npts * dim, dim, r->p, center, r->widthLambda); npts += numRR0_0fs(dim); /* Calculate points for (lambda5, lambda5, ..., lambda5) */ for (i = 0; i < dim; ++i) r->widthLambda[i] = halfwidth[i] * lambda5; evalR_Rfs(pts + npts * dim, dim, r->p, center, r->widthLambda); npts += numR_Rfs(dim); } /* Evaluate the integrand function(s) at all the points */ f(dim, npts, pts, fdata, fdim, vals); /* we are done with the points, and so we can re-use the pts array to store the maximum difference diff[i] in each dimension for each hypercube */ diff = pts; for (i = 0; i < dim * nR; ++i) diff[i] = 0; for (j = 0; j < fdim; ++j) { for (iR = 0; iR < nR; ++iR) { double result, res5th; double val0, sum2 = 0, sum3 = 0, sum4 = 0, sum5 = 0; unsigned int k, k0 = 0; /* accumulate j-th function values into j-th integrals NOTE: this relies on the ordering of the eval functions above, as well as on the internal structure of the evalR0_0fs4d function */ val0 = vals[0]; /* central point */ k0 += 1; for (k = 0; k < dim; ++k) { double v0 = vals[k0 + 4 * k]; double v1 = vals[(k0 + 4 * k) + 1]; double v2 = vals[(k0 + 4 * k) + 2]; double v3 = vals[(k0 + 4 * k) + 3]; sum2 += v0 + v1; sum3 += v2 + v3; diff[iR * dim + k] += fabs(v0 + v1 - 2 * val0 - ratio * (v2 + v3 - 2 * val0)); } k0 += 4 * k; for (k = 0; k < numRR0_0fs(dim); ++k) sum4 += vals[k0 + k]; k0 += k; for (k = 0; k < numR_Rfs(dim); ++k) sum5 += vals[k0 + k]; /* Calculate fifth and seventh order results */ result = R[iR].h.vol * (r->weight1 * val0 + weight2 * sum2 + r->weight3 * sum3 + weight4 * sum4 + r->weight5 * sum5); res5th = R[iR].h.vol * (r->weightE1 * val0 + weightE2 * sum2 + r->weightE3 * sum3 + weightE4 * sum4); R[iR].ee[j].val = result; R[iR].ee[j].err = fabs(res5th - result); vals += r_->num_points; } } /* figure out dimension to split: */ for (iR = 0; iR < nR; ++iR) { double maxdiff = 0; unsigned int dimDiffMax = 0; for (i = 0; i < dim; ++i) if (diff[iR * dim + i] > maxdiff) { maxdiff = diff[iR * dim + i]; dimDiffMax = i; } R[iR].splitDim = dimDiffMax; } return SUCCESS; } static rule* make_rule75genzmalik(unsigned int dim, unsigned int fdim) { rule75genzmalik* r; if (dim < 2) return nullptr; /* this rule does not support 1d integrals */ /* Because of the use of a bit-field in evalR_Rfs, we are limited to be < 32 dimensions (or however many bits are in unsigned int). This is not a practical limitation...long before you reach 32 dimensions, the Genz-Malik cubature becomes excruciatingly slow and is superseded by other methods (e.g. Monte-Carlo). */ if (dim >= sizeof(unsigned int) * 8) return nullptr; r = (rule75genzmalik*)make_rule( sizeof(rule75genzmalik), dim, fdim, num0_0(dim) + 2 * numR0_0fs(dim) + numRR0_0fs(dim) + numR_Rfs(dim), rule75genzmalik_evalError, destroy_rule75genzmalik); if (!r) return nullptr; r->weight1 = (real(12824 - 9120 * to_int(dim) + 400 * isqr(to_int(dim))) / real(19683)); r->weight3 = real(1820 - 400 * to_int(dim)) / real(19683); r->weight5 = real(6859) / real(19683) / real(1U << dim); r->weightE1 = (real(729 - 950 * to_int(dim) + 50 * isqr(to_int(dim))) / real(729)); r->weightE3 = real(265 - 100 * to_int(dim)) / real(1458); r->p = (double*)malloc(sizeof(double) * dim * 3); if (!r->p) { destroy_rule((rule*)r); return nullptr; } r->widthLambda = r->p + dim; r->widthLambda2 = r->p + 2 * dim; return (rule*)r; } /***************************************************************************/ /* 1d 15-point Gaussian quadrature rule, based on qk15.c and qk.c in GNU GSL (which in turn is based on QUADPACK). */ static int rule15gauss_evalError(rule* r, unsigned int fdim, integrand_v f, void* fdata, unsigned int nR, region* R) { /* Gauss quadrature weights and kronrod quadrature abscissae and weights as evaluated with 80 decimal digit arithmetic by L. W. Fullerton, Bell Labs, Nov. 1981. */ const unsigned int n = 8; const double xgk[8] = { /* abscissae of the 15-point kronrod rule */ 0.991455371120812639206854697526329, 0.949107912342758524526189684047851, 0.864864423359769072789712788640926, 0.741531185599394439863864773280788, 0.586087235467691130294144838258730, 0.405845151377397166906606412076961, 0.207784955007898467600689403773245, 0.000000000000000000000000000000000 /* xgk[1], xgk[3], ... abscissae of the 7-point gauss rule. xgk[0], xgk[2], ... to optimally extend the 7-point gauss rule */ }; static const double wg[4] = { /* weights of the 7-point gauss rule */ 0.129484966168869693270611432679082, 0.279705391489276667901467771423780, 0.381830050505118944950369775488975, 0.417959183673469387755102040816327 }; static const double wgk[8] = { /* weights of the 15-point kronrod rule */ 0.022935322010529224963732008058970, 0.063092092629978553290700663189204, 0.104790010322250183839876322541518, 0.140653259715525918745189590510238, 0.169004726639267902826583426598550, 0.190350578064785409913256402421014, 0.204432940075298892414161999234649, 0.209482141084727828012999174891714 }; unsigned int j, k, iR, npts = 0; double *pts, *vals; if (alloc_rule_pts(r, nR)) return FAILURE; pts = r->pts; vals = r->vals; for (iR = 0; iR < nR; ++iR) { const double center = R[iR].h.data[0]; const double halfwidth = R[iR].h.data[1]; pts[npts++] = center; for (j = 0; j < (n - 1) / 2; ++j) { int j2 = 2 * j + 1; double w = halfwidth * xgk[j2]; pts[npts++] = center - w; pts[npts++] = center + w; } for (j = 0; j < n / 2; ++j) { int j2 = 2 * j; double w = halfwidth * xgk[j2]; pts[npts++] = center - w; pts[npts++] = center + w; } R[iR].splitDim = 0; /* no choice but to divide 0th dimension */ } f(1, npts, pts, fdata, fdim, vals); for (k = 0; k < fdim; ++k) { for (iR = 0; iR < nR; ++iR) { const double halfwidth = R[iR].h.data[1]; double result_gauss = vals[0] * wg[n / 2 - 1]; double result_kronrod = vals[0] * wgk[n - 1]; double result_abs = fabs(result_kronrod); double result_asc, mean, err; /* accumulate integrals */ npts = 1; for (j = 0; j < (n - 1) / 2; ++j) { int j2 = 2 * j + 1; double v = vals[npts] + vals[npts + 1]; result_gauss += wg[j] * v; result_kronrod += wgk[j2] * v; result_abs += wgk[j2] * (fabs(vals[npts]) + fabs(vals[npts + 1])); npts += 2; } for (j = 0; j < n / 2; ++j) { int j2 = 2 * j; result_kronrod += wgk[j2] * (vals[npts] + vals[npts + 1]); result_abs += wgk[j2] * (fabs(vals[npts]) + fabs(vals[npts + 1])); npts += 2; } /* integration result */ R[iR].ee[k].val = result_kronrod * halfwidth; /* error estimate (from GSL, probably dates back to QUADPACK ... not completely clear to me why we don't just use fabs(result_kronrod - result_gauss) * halfwidth */ mean = result_kronrod * 0.5; result_asc = wgk[n - 1] * fabs(vals[0] - mean); npts = 1; for (j = 0; j < (n - 1) / 2; ++j) { int j2 = 2 * j + 1; result_asc += wgk[j2] * (fabs(vals[npts] - mean) + fabs(vals[npts + 1] - mean)); npts += 2; } for (j = 0; j < n / 2; ++j) { int j2 = 2 * j; result_asc += wgk[j2] * (fabs(vals[npts] - mean) + fabs(vals[npts + 1] - mean)); npts += 2; } err = fabs(result_kronrod - result_gauss) * halfwidth; result_abs *= halfwidth; result_asc *= halfwidth; if (result_asc != 0 && err != 0) { double scale = pow((200 * err / result_asc), 1.5); err = (scale < 1) ? result_asc * scale : result_asc; } if (result_abs > DBL_MIN / (50 * DBL_EPSILON)) { double min_err = 50 * DBL_EPSILON * result_abs; if (min_err > err) err = min_err; } R[iR].ee[k].err = err; /* increment vals to point to next batch of results */ vals += 15; } } return SUCCESS; } static rule* make_rule15gauss(unsigned int dim, unsigned int fdim) { if (dim != 1) return nullptr; /* this rule is only for 1d integrals */ return make_rule(sizeof(rule), dim, fdim, 15, rule15gauss_evalError, nullptr); } /***************************************************************************/ /* binary heap implementation (ala _Introduction to Algorithms_ by Cormen, Leiserson, and Rivest), for use as a priority queue of regions to integrate. */ using heap_item = region; #define KEY(hi) ((hi).errmax) using heap = struct { unsigned int n, nalloc; heap_item* items; unsigned int fdim; esterr* ee; /* array of length fdim of the total integrand & error */ }; static void heap_resize(heap* h, unsigned int nalloc) { h->nalloc = nalloc; h->items = (heap_item*)realloc(h->items, sizeof(heap_item) * nalloc); } static heap heap_alloc(unsigned int nalloc, unsigned int fdim) { heap h; unsigned int i; h.n = 0; h.nalloc = 0; h.items = nullptr; h.fdim = fdim; h.ee = (esterr*)malloc(sizeof(esterr) * fdim); if (h.ee) { for (i = 0; i < fdim; ++i) h.ee[i].val = h.ee[i].err = 0; heap_resize(&h, nalloc); } return h; } /* note that heap_free does not deallocate anything referenced by the items */ static void heap_free(heap* h) { h->n = 0; heap_resize(h, 0); h->fdim = 0; free(h->ee); } static int heap_push(heap* h, heap_item hi) { int insert; unsigned int i, fdim = h->fdim; for (i = 0; i < fdim; ++i) { h->ee[i].val += hi.ee[i].val; h->ee[i].err += hi.ee[i].err; } insert = h->n; if (++(h->n) > h->nalloc) { heap_resize(h, h->n * 2); if (!h->items) return FAILURE; } while (insert) { int parent = (insert - 1) / 2; if (KEY(hi) <= KEY(h->items[parent])) break; h->items[insert] = h->items[parent]; insert = parent; } h->items[insert] = hi; return SUCCESS; } static int heap_push_many(heap* h, unsigned int ni, heap_item* hi) { unsigned int i; for (i = 0; i < ni; ++i) if (heap_push(h, hi[i])) return FAILURE; return SUCCESS; } static heap_item heap_pop(heap* h) { heap_item ret; int i, n, child; if (!(h->n)) { fprintf(stderr, "attempted to pop an empty heap\n"); return ret; // error } ret = h->items[0]; h->items[i = 0] = h->items[n = --(h->n)]; while ((child = i * 2 + 1) < n) { int largest; heap_item swap; if (KEY(h->items[child]) <= KEY(h->items[i])) largest = i; else largest = child; if (++child < n && KEY(h->items[largest]) < KEY(h->items[child])) largest = child; if (largest == i) break; swap = h->items[i]; h->items[i] = h->items[largest]; h->items[i = largest] = swap; } { unsigned int i_, fdim = h->fdim; for (i_ = 0; i_ < fdim; ++i_) { h->ee[i_].val -= ret.ee[i_].val; h->ee[i_].err -= ret.ee[i_].err; } } return ret; } /***************************************************************************/ /* adaptive integration, analogous to adaptintegrator.cpp in HIntLib */ static int ruleadapt_integrate(rule* r, unsigned int fdim, integrand_v f, void* fdata, const hypercube* h, unsigned int maxEval, double reqAbsError, double reqRelError, double* val, double* err, int parallel) { unsigned int numEval = 0; heap regions; unsigned int i, j; region* R = nullptr; /* array of regions to evaluate */ unsigned int nR_alloc = 0; esterr* ee = nullptr; regions = heap_alloc(1, fdim); if (!regions.ee || !regions.items) goto bad; ee = (esterr*)malloc(sizeof(esterr) * fdim); if (!ee) goto bad; nR_alloc = 2; R = (region*)malloc(sizeof(region) * nR_alloc); if (!R) goto bad; R[0] = make_region(h, fdim); if (!R[0].ee || eval_regions(1, R, f, fdata, r) || heap_push(®ions, R[0])) goto bad; numEval += r->num_points; while (numEval < maxEval || !maxEval) { for (j = 0; j < fdim && (regions.ee[j].err <= reqAbsError || relError(regions.ee[j]) <= reqRelError); ++j) ; if (j == fdim) break; /* convergence */ if (parallel) { /* maximize potential parallelism */ /* adapted from I. Gladwell, "Vectorization of one dimensional quadrature codes," pp. 230--238 in _Numerical Integration. Recent Developments, Software and Applications_, G. Fairweather and P. M. Keast, eds., NATO ASI Series C203, Dordrecht (1987), as described in J. M. Bull and T. L. Freeman, "Parallel Globally Adaptive Algorithms for Multi-dimensional Integration," http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.42.6638 (1994). Basically, this evaluates in one shot all regions that *must* be evaluated in order to reduce the error to the requested bound: the minimum set of largest-error regions whose errors push the total error over the bound. [Note: Bull and Freeman claim that the Gladwell approach is intrinsically inefficient because it "requires sorting", and propose an alternative algorithm that "only" requires three passes over the entire set of regions. Apparently, they didn't realize that one could use a heap data structure, in which case the time to pop K biggest-error regions out of N is only O(K log N), much better than the O(N) cost of the Bull and Freeman algorithm if K << N, and it is also much simpler.] */ unsigned int nR = 0; for (j = 0; j < fdim; ++j) ee[j] = regions.ee[j]; do { if (nR + 2 > nR_alloc) { nR_alloc = (nR + 2) * 2; R = (region*)realloc(R, nR_alloc * sizeof(region)); if (!R) goto bad; } R[nR] = heap_pop(®ions); for (j = 0; j < fdim; ++j) ee[j].err -= R[nR].ee[j].err; if (cut_region(R + nR, R + nR + 1)) goto bad; numEval += r->num_points * 2; nR += 2; for (j = 0; j < fdim && (ee[j].err <= reqAbsError || relError(ee[j]) <= reqRelError); ++j) ; if (j == fdim) break; /* other regions have small errs */ } while (regions.n > 0 && (numEval < maxEval || !maxEval)); if (eval_regions(nR, R, f, fdata, r) || heap_push_many(®ions, nR, R)) goto bad; } else { /* minimize number of function evaluations */ R[0] = heap_pop(®ions); /* get worst region */ if (cut_region(R, R + 1) || eval_regions(2, R, f, fdata, r) || heap_push_many(®ions, 2, R)) goto bad; numEval += r->num_points * 2; } } /* re-sum integral and errors */ for (j = 0; j < fdim; ++j) val[j] = err[j] = 0; for (i = 0; i < regions.n; ++i) { for (j = 0; j < fdim; ++j) { val[j] += regions.items[i].ee[j].val; err[j] += regions.items[i].ee[j].err; } destroy_region(®ions.items[i]); } /* printf("regions.nalloc = %d\n", regions.nalloc); */ free(ee); heap_free(®ions); free(R); return SUCCESS; bad: free(ee); heap_free(®ions); free(R); return FAILURE; } static int integrate(unsigned int fdim, integrand_v f, void* fdata, unsigned int dim, const double* xmin, const double* xmax, unsigned int maxEval, double reqAbsError, double reqRelError, double* val, double* err, int parallel) { rule* r; hypercube h; int status; unsigned int i; if (fdim == 0) /* nothing to do */ return SUCCESS; if (dim == 0) { /* trivial integration */ f(0, 1, xmin, fdata, fdim, val); for (i = 0; i < fdim; ++i) err[i] = 0; return SUCCESS; } r = dim == 1 ? make_rule15gauss(dim, fdim) : make_rule75genzmalik(dim, fdim); if (!r) { for (i = 0; i < fdim; ++i) { val[i] = 0; err[i] = HUGE_VAL; } return FAILURE; } h = make_hypercube_range(dim, xmin, xmax); status = !h.data ? FAILURE : ruleadapt_integrate(r, fdim, f, fdata, &h, maxEval, reqAbsError, reqRelError, val, err, parallel); destroy_hypercube(&h); destroy_rule(r); return status; } int adapt_integrate_v(unsigned int fdim, integrand_v f, void* fdata, unsigned int dim, const double* xmin, const double* xmax, unsigned int maxEval, double reqAbsError, double reqRelError, double* val, double* err) { return integrate(fdim, f, fdata, dim, xmin, xmax, maxEval, reqAbsError, reqRelError, val, err, 1); } /* wrapper around non-vectorized integrand */ using fv_data = struct fv_data_s { integrand f; void* fdata; double* fval1; }; static void fv(unsigned int ndim, unsigned int npt, const double* x, void* d_, unsigned int fdim, double* fval) { auto* d = (fv_data*)d_; double* fval1 = d->fval1; unsigned int i, k; /* printf("npt = %u\n", npt); */ for (i = 0; i < npt; ++i) { d->f(ndim, x + i * ndim, d->fdata, fdim, fval1); for (k = 0; k < fdim; ++k) fval[k * npt + i] = fval1[k]; } } int adapt_integrate(unsigned int fdim, integrand f, void* fdata, unsigned int dim, const double* xmin, const double* xmax, unsigned int maxEval, double reqAbsError, double reqRelError, double* val, double* err) { int ret; fv_data d; if (fdim == 0) return SUCCESS; /* nothing to do */ d.f = f; d.fdata = fdata; d.fval1 = (double*)malloc(sizeof(double) * fdim); if (!d.fval1) { unsigned int i; for (i = 0; i < fdim; ++i) { val[i] = 0; err[i] = HUGE_VAL; } return -2; /* ERROR */ } ret = integrate(fdim, fv, &d, dim, xmin, xmax, maxEval, reqAbsError, reqRelError, val, err, 0); free(d.fval1); return ret; } // TODO: Consider QVariantList. For now, mimic what is known to work. QList QTAIMEvaluateProperty(QList variantList) { /* Order of variantList: QString wfnFileName qreal x0 qreal y0 qreal z0 qint64 nncp qint64 xncp1 qint64 yncp1 qint64 zncp1 qint64 xncp2 qint64 yncp2 qint64 zncp2 ... qint64 nmode qint64 mode1 qint64 mode2 ... qint64 nbasin qint64 basin1 qint64 basin2 ... */ qint64 counter = 0; QString wfnFileName = variantList.at(counter).toString(); counter++; qreal x0 = variantList.at(counter).toDouble(); counter++; qreal y0 = variantList.at(counter).toDouble(); counter++; qreal z0 = variantList.at(counter).toDouble(); counter++; qint64 nncp = variantList.at(counter).toLongLong(); counter++; QList ncpList; for (qint64 n = 0; n < nncp; ++n) { qreal x = variantList.at(counter).toDouble(); counter++; qreal y = variantList.at(counter).toDouble(); counter++; qreal z = variantList.at(counter).toDouble(); counter++; ncpList.append(QVector3D(x, y, z)); } qint64 nmode = variantList.at(counter).toLongLong(); counter++; QList modeList; for (qint64 m = 0; m < nmode; ++m) { qint64 mode = variantList.at(counter).toLongLong(); counter++; modeList.append(mode); } qint64 nbasin = variantList.at(counter).toLongLong(); counter++; QList basinList; for (qint64 b = 0; b < nbasin; ++b) { qint64 basin = variantList.at(counter).toLongLong(); counter++; basinList.append(basin); } QSet basinSet = basinList.toSet(); QTAIMWavefunction wfn; wfn.loadFromBinaryFile(wfnFileName); QTAIMWavefunctionEvaluator eval(wfn); QList valueList; double initialElectronDensity = eval.electronDensity(Eigen::Vector3d(x0, y0, z0)); // if less than some small value, then return zero for all integrands. if (initialElectronDensity < 1.e-5) { for (qint64 m = 0; m < nmode; ++m) { qreal zero = 0.0; valueList.append(zero); } } else { QList> betaSpheres; for (qint64 i = 0; i < nncp; ++i) { QPair thisBetaSphere; thisBetaSphere.first = QVector3D(ncpList.at(i).x(), ncpList.at(i).y(), ncpList.at(i).z()); thisBetaSphere.second = 0.10; betaSpheres.append(thisBetaSphere); } QTAIMLSODAIntegrator ode(eval, 0); // Avogadro::QTAIMODEIntegrator ode(eval,0); ode.setBetaSpheres(betaSpheres); QVector3D endpoint = ode.integrate(QVector3D(x0, y0, z0)); // QList path=ode.path(); #define HUGE_REAL_NUMBER 1.e20 qreal smallestDistance = HUGE_REAL_NUMBER; qint64 smallestDistanceIndex = -1; for (qint64 n = 0; n < betaSpheres.length(); ++n) { Matrix a(endpoint.x(), endpoint.y(), endpoint.z()); Matrix b(betaSpheres.at(n).first.x(), betaSpheres.at(n).first.y(), betaSpheres.at(n).first.z()); qreal distance = QTAIMMathUtilities::distance(a, b); if (distance < smallestDistance) { smallestDistance = distance; smallestDistanceIndex = n; } } qint64 nucleusIndex = smallestDistanceIndex; if (basinSet.contains(nucleusIndex)) { // if(nucleusIndex==0) // { // QFile file("/scratch/brown/0.txt"); // file.open(QIODevice::WriteOnly | QIODevice::Append); // QTextStream out(&file); // out << x0 << " " << y0 << " " << z0 << "\n"; // file.close(); // } for (qint64 m = 0; m < nmode; ++m) { if (modeList.at(m) == 0) { valueList.append(eval.electronDensity(Eigen::Vector3d(x0, y0, z0))); } else { qDebug() << "mode not defined"; qreal zero = 0.0; valueList.append(zero); } } } else { for (qint64 m = 0; m < nmode; ++m) { qreal zero = 0.0; valueList.append(zero); } } } return valueList; } void property_v(unsigned int /* ndim */, unsigned int npts, const double* xyz, void* param, unsigned int /* dim */, double* fval) { auto* paramVariantListPtr = (QVariantList*)param; QVariantList paramVariantList = *paramVariantListPtr; qint64 counter = 0; QString wfnFileName = paramVariantList.at(counter).toString(); counter++; qint64 nncp = paramVariantList.at(counter).toLongLong(); counter++; QList ncpList; for (qint64 i = 0; i < nncp; ++i) { qreal x = paramVariantList.at(counter).toDouble(); counter++; qreal y = paramVariantList.at(counter).toDouble(); counter++; qreal z = paramVariantList.at(counter).toDouble(); counter++; ncpList.append(QVector3D(x, y, z)); } qint64 nmode = 1; qint64 mode = paramVariantList.at(counter).toLongLong(); counter++; QList basinList; for (qint64 i = counter; i < paramVariantList.length(); ++i) { basinList.append(paramVariantList.at(i).toLongLong()); counter++; } // prepare input QList> inputList; for (unsigned int i = 0; i < npts; ++i) { double x0 = xyz[i * 3 + 0]; double y0 = xyz[i * 3 + 1]; double z0 = xyz[i * 3 + 2]; QList variantList; variantList.append(wfnFileName); variantList.append(x0); variantList.append(y0); variantList.append(z0); variantList.append(nncp); for (qint64 n = 0; n < nncp; ++n) { variantList.append(ncpList.at(n).x()); variantList.append(ncpList.at(n).y()); variantList.append(ncpList.at(n).z()); } variantList.append(nmode); // for now, one mode for (qint64 m = 0; m < nmode; ++m) { variantList.append(mode); } qint64 nbasin = basinList.length(); variantList.append(nbasin); for (long long b : basinList) { variantList.append(b); } inputList.append(variantList); } // calculate QProgressDialog dialog; dialog.setWindowTitle("QTAIM"); dialog.setLabelText(QString("Atomic Basin Integration")); QFutureWatcher futureWatcher; QObject::connect(&futureWatcher, SIGNAL(finished()), &dialog, SLOT(reset())); QObject::connect(&dialog, SIGNAL(canceled()), &futureWatcher, SLOT(cancel())); QObject::connect(&futureWatcher, SIGNAL(progressRangeChanged(int, int)), &dialog, SLOT(setRange(int, int))); QObject::connect(&futureWatcher, SIGNAL(progressValueChanged(int)), &dialog, SLOT(setValue(int))); QFuture> future = QtConcurrent::mapped(inputList, QTAIMEvaluateProperty); futureWatcher.setFuture(future); dialog.exec(); futureWatcher.waitForFinished(); QList> results; if (futureWatcher.future().isCanceled()) { results.clear(); } else { results = future.results(); } // harvest results for (qint64 i = 0; i < npts; ++i) { for (qint64 m = 0; m < nmode; ++m) { fval[m * nmode + i] = results.at(i).at(m).toDouble(); } } } // TODO: Consider QVariantList. For now, mimic what is known to work. // This version performs integration in Spherical Polar Coordinates. // Note that the basin limits are not explicitly determined. QList QTAIMEvaluatePropertyRTP(QList variantList) { /* Order of variantList: QString wfnFileName qreal r0 qreal t0 qreal p0 qint64 nncp qint64 xncp1 qint64 yncp1 qint64 zncp1 qint64 xncp2 qint64 yncp2 qint64 zncp2 ... qint64 nmode qint64 mode1 qint64 mode2 ... qint64 nbasin qint64 basin1 qint64 basin2 ... */ qint64 counter = 0; QString wfnFileName = variantList.at(counter).toString(); counter++; qreal r0 = variantList.at(counter).toDouble(); counter++; qreal t0 = variantList.at(counter).toDouble(); counter++; qreal p0 = variantList.at(counter).toDouble(); counter++; qint64 nncp = variantList.at(counter).toLongLong(); counter++; QList ncpList; for (qint64 n = 0; n < nncp; ++n) { qreal x = variantList.at(counter).toDouble(); counter++; qreal y = variantList.at(counter).toDouble(); counter++; qreal z = variantList.at(counter).toDouble(); counter++; ncpList.append(QVector3D(x, y, z)); } qint64 nmode = variantList.at(counter).toLongLong(); counter++; QList modeList; for (qint64 m = 0; m < nmode; ++m) { qint64 mode = variantList.at(counter).toLongLong(); counter++; modeList.append(mode); } qint64 nbasin = variantList.at(counter).toLongLong(); counter++; QList basinList; for (qint64 b = 0; b < nbasin; ++b) { qint64 basin = variantList.at(counter).toLongLong(); counter++; basinList.append(basin); } QSet basinSet = basinList.toSet(); Matrix r0t0p0; r0t0p0 << r0, t0, p0; Matrix origin; origin << ncpList.at(basinList.at(0)).x(), ncpList.at(basinList.at(0)).y(), ncpList.at(basinList.at(0)).z(); Matrix x0y0z0 = QTAIMMathUtilities::sphericalToCartesian(r0t0p0, origin); qreal x0 = x0y0z0(0); qreal y0 = x0y0z0(1); qreal z0 = x0y0z0(2); QTAIMWavefunction wfn; wfn.loadFromBinaryFile(wfnFileName); QTAIMWavefunctionEvaluator eval(wfn); QList valueList; double initialElectronDensity = eval.electronDensity(Eigen::Vector3d(x0, y0, z0)); // if less than some small value, then return zero for all integrands. if (initialElectronDensity < 1.e-5) { for (qint64 m = 0; m < nmode; ++m) { qreal zero = 0.0; valueList.append(zero); } } else { QList> betaSpheres; for (qint64 i = 0; i < nncp; ++i) { QPair thisBetaSphere; thisBetaSphere.first = QVector3D(ncpList.at(i).x(), ncpList.at(i).y(), ncpList.at(i).z()); thisBetaSphere.second = 0.10; betaSpheres.append(thisBetaSphere); } QTAIMLSODAIntegrator ode(eval, 0); // Avogadro::QTAIMODEIntegrator ode(eval,0); ode.setBetaSpheres(betaSpheres); QVector3D endpoint = ode.integrate(QVector3D(x0, y0, z0)); // QList path=ode.path(); #define HUGE_REAL_NUMBER 1.e20 qreal smallestDistance = HUGE_REAL_NUMBER; qint64 smallestDistanceIndex = -1; for (qint64 n = 0; n < betaSpheres.length(); ++n) { Matrix a(endpoint.x(), endpoint.y(), endpoint.z()); Matrix b(betaSpheres.at(n).first.x(), betaSpheres.at(n).first.y(), betaSpheres.at(n).first.z()); qreal distance = QTAIMMathUtilities::distance(a, b); if (distance < smallestDistance) { smallestDistance = distance; smallestDistanceIndex = n; } } qint64 nucleusIndex = smallestDistanceIndex; if (basinSet.contains(nucleusIndex)) { // if(nucleusIndex==0) // { // QFile file("/scratch/brown/0.txt"); // file.open(QIODevice::WriteOnly | QIODevice::Append); // QTextStream out(&file); // out << x0 << " " << y0 << " " << z0 << "\n"; //// out << r0 << " " << t0 << " " << p0 << "\n"; // file.close(); // } for (qint64 m = 0; m < nmode; ++m) { if (modeList.at(m) == 0) { valueList.append( r0 * r0 * sin(t0) * eval.electronDensity(Eigen::Vector3d(x0, y0, z0)) ); } else { qDebug() << "mode not defined"; qreal zero = 0.0; valueList.append(zero); } } } else { for (qint64 m = 0; m < nmode; ++m) { qreal zero = 0.0; valueList.append(zero); } } } return valueList; } void property_v_rtp(unsigned int /* ndim */, unsigned int npts, const double* xyz, void* param, unsigned int /* fdim */, double* fval) { auto* paramVariantListPtr = (QVariantList*)param; QVariantList paramVariantList = *paramVariantListPtr; qint64 counter = 0; QString wfnFileName = paramVariantList.at(counter).toString(); counter++; qint64 nncp = paramVariantList.at(counter).toLongLong(); counter++; QList ncpList; for (qint64 i = 0; i < nncp; ++i) { qreal x = paramVariantList.at(counter).toDouble(); counter++; qreal y = paramVariantList.at(counter).toDouble(); counter++; qreal z = paramVariantList.at(counter).toDouble(); counter++; ncpList.append(QVector3D(x, y, z)); } qint64 nmode = 1; qint64 mode = paramVariantList.at(counter).toLongLong(); counter++; QList basinList; for (qint64 i = counter; i < paramVariantList.length(); ++i) { basinList.append(paramVariantList.at(i).toLongLong()); counter++; } // prepare input QList> inputList; for (unsigned int i = 0; i < npts; ++i) { double x0 = xyz[i * 3 + 0]; double y0 = xyz[i * 3 + 1]; double z0 = xyz[i * 3 + 2]; QList variantList; variantList.append(wfnFileName); variantList.append(x0); variantList.append(y0); variantList.append(z0); variantList.append(nncp); for (qint64 n = 0; n < nncp; ++n) { variantList.append(ncpList.at(n).x()); variantList.append(ncpList.at(n).y()); variantList.append(ncpList.at(n).z()); } variantList.append(nmode); // for now, one mode for (qint64 m = 0; m < nmode; ++m) { variantList.append(mode); } qint64 nbasin = basinList.length(); variantList.append(nbasin); for (long long b : basinList) { variantList.append(b); } inputList.append(variantList); } // calculate QProgressDialog dialog; dialog.setWindowTitle("QTAIM"); dialog.setLabelText(QString("Atomic Basin Integration")); QFutureWatcher futureWatcher; QObject::connect(&futureWatcher, SIGNAL(finished()), &dialog, SLOT(reset())); QObject::connect(&dialog, SIGNAL(canceled()), &futureWatcher, SLOT(cancel())); QObject::connect(&futureWatcher, SIGNAL(progressRangeChanged(int, int)), &dialog, SLOT(setRange(int, int))); QObject::connect(&futureWatcher, SIGNAL(progressValueChanged(int)), &dialog, SLOT(setValue(int))); QFuture> future = QtConcurrent::mapped(inputList, QTAIMEvaluatePropertyRTP); futureWatcher.setFuture(future); dialog.exec(); futureWatcher.waitForFinished(); QList> results; if (futureWatcher.future().isCanceled()) { results.clear(); } else { results = future.results(); } // harvest results for (qint64 i = 0; i < npts; ++i) { for (qint64 m = 0; m < nmode; ++m) { fval[m * nmode + i] = results.at(i).at(m).toDouble(); } } } void property_r(unsigned int ndim, const double* xyz, void* param, unsigned int fdim, double* fval) { ndim = ndim; fdim = fdim; auto* paramVariantListPtr = (QVariantList*)param; QVariantList paramVariantList = *paramVariantListPtr; qint64 counter = 0; QString wfnFileName = paramVariantList.at(counter).toString(); counter++; qreal r = xyz[0]; qreal t = paramVariantList.at(counter).toDouble(); counter++; qreal p = paramVariantList.at(counter).toDouble(); counter++; qint64 nncp = paramVariantList.at(counter).toLongLong(); counter++; QList ncpList; for (qint64 i = 0; i < nncp; ++i) { qreal x = paramVariantList.at(counter).toDouble(); counter++; qreal y = paramVariantList.at(counter).toDouble(); counter++; qreal z = paramVariantList.at(counter).toDouble(); counter++; ncpList.append(QVector3D(x, y, z)); } qint64 nmode = 1; qint64 mode = paramVariantList.at(counter).toLongLong(); counter++; QList basinList; for (qint64 i = counter; i < paramVariantList.length(); ++i) { basinList.append(paramVariantList.at(i).toLongLong()); counter++; } Matrix rtp; rtp << r, t, p; Matrix origin; origin << ncpList.at(basinList.at(0)).x(), ncpList.at(basinList.at(0)).y(), ncpList.at(basinList.at(0)).z(); Matrix XYZ = QTAIMMathUtilities::sphericalToCartesian(rtp, origin); qreal x = XYZ(0); qreal y = XYZ(1); qreal z = XYZ(2); // This routine reads the wavefunction file repeatedly. // Let's hope that this time is dwarfed by the time // taken to delineate the atomic basins in the calling routine. QTAIMWavefunction wfn; wfn.loadFromBinaryFile(wfnFileName); QTAIMWavefunctionEvaluator eval(wfn); for (qint64 m = 0; m < nmode; ++m) { if (mode == 0) { fval[m] = r * r * eval.electronDensity(Eigen::Vector3d(x, y, z)); } } } QList QTAIMEvaluatePropertyTP(QList variantList) { /* Order of variantList: QString wfnFileName qreal t qreal p qint64 nncp qint64 xncp1 qint64 yncp1 qint64 zncp1 qint64 xncp2 qint64 yncp2 qint64 zncp2 ... qint64 nmode qint64 mode1 qint64 mode2 ... qint64 nbasin qint64 basin1 qint64 basin2 ... */ qint64 counter = 0; QString wfnFileName = variantList.at(counter).toString(); counter++; qreal t = variantList.at(counter).toDouble(); counter++; qreal p = variantList.at(counter).toDouble(); counter++; qint64 nncp = variantList.at(counter).toLongLong(); counter++; QList ncpList; for (qint64 n = 0; n < nncp; ++n) { qreal x = variantList.at(counter).toDouble(); counter++; qreal y = variantList.at(counter).toDouble(); counter++; qreal z = variantList.at(counter).toDouble(); counter++; ncpList.append(QVector3D(x, y, z)); } qint64 nmode = variantList.at(counter).toLongLong(); counter++; QList modeList; for (qint64 m = 0; m < nmode; ++m) { qint64 mode = variantList.at(counter).toLongLong(); counter++; modeList.append(mode); } qint64 nbasin = variantList.at(counter).toLongLong(); counter++; QList basinList; for (qint64 b = 0; b < nbasin; ++b) { qint64 basin = variantList.at(counter).toLongLong(); counter++; basinList.append(basin); } QSet basinSet = basinList.toSet(); QTAIMWavefunction wfn; wfn.loadFromBinaryFile(wfnFileName); QTAIMWavefunctionEvaluator eval(wfn); // Set up steepest ascent integrator and beta spheres QList> betaSpheres; for (qint64 i = 0; i < nncp; ++i) { QPair thisBetaSphere; thisBetaSphere.first = QVector3D(ncpList.at(i).x(), ncpList.at(i).y(), ncpList.at(i).z()); thisBetaSphere.second = 0.10; betaSpheres.append(thisBetaSphere); } QTAIMLSODAIntegrator ode(eval, 0); // Avogadro::QTAIMODEIntegrator ode(eval,0); ode.setBetaSpheres(betaSpheres); // Determine radial basin limit via bisection // Bisection Algorithm courtesy of Wikipedia qint64 thisBasin = basinList.at(0); Matrix origin; origin << ncpList.at(thisBasin).x(), ncpList.at(thisBasin).y(), ncpList.at(thisBasin).z(); const qreal rmin = betaSpheres.at(thisBasin).second; const qreal rmax = 8.0; const qreal epsilon = 1.e-3; qreal left = rmin; qreal right = rmax; Matrix rtpl; rtpl << left, t, p; Matrix xyzl = QTAIMMathUtilities::sphericalToCartesian(rtpl, origin); qreal fleft; qreal x = xyzl(0); qreal y = xyzl(1); qreal z = xyzl(2); qreal leftElectronDensity = eval.electronDensity(Eigen::Vector3d(x, y, z)); if (leftElectronDensity < 1.e-5) { fleft = -1.0; } else { QVector3D endpoint = ode.integrate(QVector3D(x, y, z)); #define HUGE_REAL_NUMBER 1.e20 qreal smallestDistance = HUGE_REAL_NUMBER; qint64 smallestDistanceIndex = -1; for (qint64 n = 0; n < betaSpheres.length(); ++n) { Matrix a(endpoint.x(), endpoint.y(), endpoint.z()); Matrix b(betaSpheres.at(n).first.x(), betaSpheres.at(n).first.y(), betaSpheres.at(n).first.z()); qreal distance = QTAIMMathUtilities::distance(a, b); if (distance < smallestDistance) { smallestDistance = distance; smallestDistanceIndex = n; } } qint64 nucleusIndex = smallestDistanceIndex; if (thisBasin == nucleusIndex) { fleft = leftElectronDensity; } else { fleft = -1.0; } } Matrix rtpr; rtpr << right, t, p; Matrix xyzr = QTAIMMathUtilities::sphericalToCartesian(rtpr, origin); qreal fright; x = xyzr(0); y = xyzr(1); z = xyzr(2); qreal rightElectronDensity = eval.electronDensity(Eigen::Vector3d(x, y, z)); if (rightElectronDensity < 1.e-5) { fright = -1.0; } else { QVector3D endpoint = ode.integrate(QVector3D(x, y, z)); #define HUGE_REAL_NUMBER 1.e20 qreal smallestDistance = HUGE_REAL_NUMBER; qint64 smallestDistanceIndex = -1; for (qint64 n = 0; n < betaSpheres.length(); ++n) { Matrix a(endpoint.x(), endpoint.y(), endpoint.z()); Matrix b(betaSpheres.at(n).first.x(), betaSpheres.at(n).first.y(), betaSpheres.at(n).first.z()); qreal distance = QTAIMMathUtilities::distance(a, b); if (distance < smallestDistance) { smallestDistance = distance; smallestDistanceIndex = n; } } qint64 nucleusIndex = smallestDistanceIndex; if (thisBasin == nucleusIndex) { fright = rightElectronDensity; } else { fright = -1.0; } } if (fleft > 0.0 && fright > 0.0) { qDebug() << "error in bisection: both values positive."; } qreal rf(0.0); while (fabs(right - left) > 2.0 * epsilon) { qreal midpoint = (right + left) / 2.0; rf = midpoint; // qDebug() << left << midpoint << right ; Matrix rtpm; rtpm << midpoint, t, p; Matrix xyzm = QTAIMMathUtilities::sphericalToCartesian(rtpm, origin); qreal fmidpoint; x = xyzm(0); y = xyzm(1); z = xyzm(2); qreal midpointElectronDensity = eval.electronDensity(Eigen::Vector3d(x, y, z)); if (midpointElectronDensity < 1.e-5) { fmidpoint = -1.0; } else { QVector3D endpoint = ode.integrate(QVector3D(x, y, z)); #define HUGE_REAL_NUMBER 1.e20 qreal smallestDistance = HUGE_REAL_NUMBER; qint64 smallestDistanceIndex = -1; for (qint64 n = 0; n < betaSpheres.length(); ++n) { Matrix a(endpoint.x(), endpoint.y(), endpoint.z()); Matrix b(betaSpheres.at(n).first.x(), betaSpheres.at(n).first.y(), betaSpheres.at(n).first.z()); qreal distance = QTAIMMathUtilities::distance(a, b); if (distance < smallestDistance) { smallestDistance = distance; smallestDistanceIndex = n; } } qint64 nucleusIndex = smallestDistanceIndex; if (thisBasin == nucleusIndex) { fmidpoint = midpointElectronDensity; } else { fmidpoint = -1.0; } } if ((fleft * fmidpoint) < 0) { right = midpoint; fright = fmidpoint; } else if ((fright * fmidpoint) < 0) { left = midpoint; fleft = fmidpoint; } else { goto endOfBisection; } } endOfBisection: // Integration over r unsigned int fdim = 1; double* val; double* err; val = (double*)malloc(sizeof(double) * fdim); err = (double*)malloc(sizeof(double) * fdim); double tol = 1.e-6; unsigned int maxEval = 0; unsigned int dim = 1; double* xmin; double* xmax; xmin = (double*)malloc(dim * sizeof(double)); xmax = (double*)malloc(dim * sizeof(double)); xmin[0] = 0.0; xmax[0] = rf; QVariantList paramVariantList; paramVariantList.append(wfnFileName); paramVariantList.append(t); paramVariantList.append(p); paramVariantList.append( ncpList.length()); // number of nuclear critical points for (auto j : ncpList) { paramVariantList.append(j.x()); paramVariantList.append(j.y()); paramVariantList.append(j.z()); } paramVariantList.append(0); // mode paramVariantList.append(basinList.at(0)); // basin // qDebug() << "Into R with rf=" << rf; adapt_integrate(fdim, property_r, ¶mVariantList, dim, xmin, xmax, maxEval, tol, 0, val, err); // qDebug() << "Out of R with val=" << val[0] << "err=" << err[0]; qreal Rval = val[0]; free(xmin); free(xmax); free(val); free(err); // QList variantList; variantList.append(sin(t) * Rval); // qDebug() << rf << t << p << sin(t) * Rval; return variantList; } void property_v_tp(unsigned int /* ndim */, unsigned int npts, const double* xyz, void* param, unsigned int /* fdim */, double* fval) { auto* paramVariantListPtr = (QVariantList*)param; QVariantList paramVariantList = *paramVariantListPtr; qint64 counter = 0; QString wfnFileName = paramVariantList.at(counter).toString(); counter++; qint64 nncp = paramVariantList.at(counter).toLongLong(); counter++; QList ncpList; for (qint64 i = 0; i < nncp; ++i) { qreal x = paramVariantList.at(counter).toDouble(); counter++; qreal y = paramVariantList.at(counter).toDouble(); counter++; qreal z = paramVariantList.at(counter).toDouble(); counter++; ncpList.append(QVector3D(x, y, z)); } qint64 nmode = 1; qint64 mode = paramVariantList.at(counter).toLongLong(); counter++; QList basinList; for (qint64 i = counter; i < paramVariantList.length(); ++i) { basinList.append(paramVariantList.at(i).toLongLong()); counter++; } // prepare input QList> inputList; for (unsigned int i = 0; i < npts; ++i) { double t = xyz[i * 2 + 0]; double p = xyz[i * 2 + 1]; QList variantList; variantList.append(wfnFileName); variantList.append(t); variantList.append(p); variantList.append(nncp); for (qint64 n = 0; n < nncp; ++n) { variantList.append(ncpList.at(n).x()); variantList.append(ncpList.at(n).y()); variantList.append(ncpList.at(n).z()); } variantList.append(nmode); // for now, one mode for (qint64 m = 0; m < nmode; ++m) { variantList.append(mode); } qint64 nbasin = basinList.length(); variantList.append(nbasin); for (long long b : basinList) { variantList.append(b); } inputList.append(variantList); } // calculate QProgressDialog dialog; dialog.setWindowTitle("QTAIM"); dialog.setLabelText(QString("Atomic Basin Integration")); QFutureWatcher futureWatcher; QObject::connect(&futureWatcher, SIGNAL(finished()), &dialog, SLOT(reset())); QObject::connect(&dialog, SIGNAL(canceled()), &futureWatcher, SLOT(cancel())); QObject::connect(&futureWatcher, SIGNAL(progressRangeChanged(int, int)), &dialog, SLOT(setRange(int, int))); QObject::connect(&futureWatcher, SIGNAL(progressValueChanged(int)), &dialog, SLOT(setValue(int))); QFuture> future = QtConcurrent::mapped(inputList, QTAIMEvaluatePropertyTP); futureWatcher.setFuture(future); dialog.exec(); futureWatcher.waitForFinished(); QList> results; if (futureWatcher.future().isCanceled()) { results.clear(); } else { results = future.results(); } // harvest results // qDebug() << "results=" << results; for (qint64 i = 0; i < npts; ++i) { for (qint64 m = 0; m < nmode; ++m) { fval[m * nmode + i] = results.at(i).at(m).toDouble(); } } } namespace Avogadro::QtPlugins { QTAIMCubature::QTAIMCubature(QTAIMWavefunction& wfn) { m_wfn = &wfn; m_temporaryFileName = QTAIMCubature::temporaryFileName(); m_wfn->saveToBinaryFile(m_temporaryFileName); // Instantiate a Critical Point Locator QTAIMCriticalPointLocator cpl(wfn); // Locate the Nuclear Critical Points cpl.locateNuclearCriticalPoints(); // QLists of results m_ncpList = cpl.nuclearCriticalPoints(); } QList> QTAIMCubature::integrate(qint64 mode, QList basins) { QList> value; m_mode = mode; m_basins = basins; double tol = 1.e-2; unsigned int maxEval = 0; bool threeDimensionalIntegration = false; bool cartesianIntegrationLimits = false; unsigned int fdim = 1; double* val; double* err; val = (double*)malloc(sizeof(double) * fdim); err = (double*)malloc(sizeof(double) * fdim); for (qint64 i = 0; i < m_basins.length(); ++i) { if (threeDimensionalIntegration) { unsigned int dim = 3; double* xmin; double* xmax; xmin = (double*)malloc(dim * sizeof(double)); xmax = (double*)malloc(dim * sizeof(double)); if (cartesianIntegrationLimits) { // shift origin of the integration to the nuclear coordinates of the ith // nucleus. xmin[0] = -8. + m_ncpList.at(i).x(); xmax[0] = 8. + m_ncpList.at(i).x(); xmin[1] = -8. + m_ncpList.at(i).y(); xmax[1] = 8. + m_ncpList.at(i).y(); xmin[2] = -8. + m_ncpList.at(i).z(); xmax[2] = 8. + m_ncpList.at(i).z(); QVariantList paramVariantList; paramVariantList.append(m_temporaryFileName); paramVariantList.append( m_ncpList.length()); // number of nuclear critical points for (auto j : m_ncpList) { paramVariantList.append(j.x()); paramVariantList.append(j.y()); paramVariantList.append(j.z()); } paramVariantList.append(0); // mode paramVariantList.append(basins.at(i)); // basin adapt_integrate_v(fdim, property_v, ¶mVariantList, dim, xmin, xmax, maxEval, tol, 0, val, err); } else { const qreal pi = 4.0 * atan(1.0); xmin[0] = 0.; xmax[0] = 8.; xmin[1] = 0.; xmax[1] = pi; xmin[2] = 0.; xmax[2] = 2.0 * pi; QVariantList paramVariantList; paramVariantList.append(m_temporaryFileName); paramVariantList.append( m_ncpList.length()); // number of nuclear critical points for (auto j : m_ncpList) { paramVariantList.append(j.x()); paramVariantList.append(j.y()); paramVariantList.append(j.z()); } paramVariantList.append(0); // mode paramVariantList.append(basins.at(i)); // basin adapt_integrate_v(fdim, property_v_rtp, ¶mVariantList, dim, xmin, xmax, maxEval, tol, 0, val, err); } free(xmin); free(xmax); } else { unsigned int dim = 2; double* xmin; double* xmax; xmin = (double*)malloc(dim * sizeof(double)); xmax = (double*)malloc(dim * sizeof(double)); const qreal pi = 4.0 * atan(1.0); xmin[0] = 0.; xmax[0] = pi; xmin[1] = 0.; xmax[1] = 2.0 * pi; QVariantList paramVariantList; paramVariantList.append(m_temporaryFileName); paramVariantList.append( m_ncpList.length()); // number of nuclear critical points for (auto j : m_ncpList) { paramVariantList.append(j.x()); paramVariantList.append(j.y()); paramVariantList.append(j.z()); } paramVariantList.append(0); // mode paramVariantList.append(basins.at(i)); // basin adapt_integrate_v(fdim, property_v_tp, ¶mVariantList, dim, xmin, xmax, maxEval, tol, 0, val, err); free(xmin); free(xmax); } qDebug() << "basin=" << basins.at(i) + 1 << "value= " << val[0] << "err=" << err[0]; QPair thisPair; thisPair.first = val[0]; thisPair.second = err[0]; value.append(thisPair); } free(val); free(err); return value; } QTAIMCubature::~QTAIMCubature() { if (QFile::exists(m_temporaryFileName)) { QFile::remove(m_temporaryFileName); } } void QTAIMCubature::setMode(qint64 mode) { m_mode = mode; } QString QTAIMCubature::temporaryFileName() { QTemporaryFile temporaryFile; temporaryFile.open(); QString tempFileName = temporaryFile.fileName(); temporaryFile.close(); temporaryFile.remove(); // wait for temporary file to be deleted QDir dir; do { // Nothing } while (dir.exists(tempFileName)); return tempFileName; } } // end namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/qtaimcubature.h000066400000000000000000000114441474375334400243310ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2010 Eric C. Brown This source code is released under the GPL v3 or later (the "License"). You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA. Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ /* Based on */ /* Adaptive multidimensional integration of a vector of integrands. * * Copyright (c) 2005-2009 Steven G. Johnson * * Portions (see comments) based on HIntLib (also distributed under * the GNU GPL, v2 or later), copyright (c) 2002-2005 Rudolf Schuerer. * (http://www.cosy.sbg.ac.at/~rschuer/hintlib/) * * Portions (see comments) based on GNU GSL (also distributed under * the GNU GPL, v2 or later), copyright (c) 1996-2000 Brian Gough. * (http://www.gnu.org/software/gsl/) * * This program is free software; you can redistribute it and/or modify * it under the terms of the GNU General Public License as published by * the Free Software Foundation; either version 2 of the License, or * (at your option) any later version. * * This program is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with this program; if not, write to the Free Software * Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA * */ #ifndef QTAIMCUBATURE_H #define QTAIMCUBATURE_H #include //#ifdef __cplusplus // extern "C" //{ //#endif /* __cplusplus */ /* USAGE: Call adapt_integrate with your function as described below. To compile a test program, compile cubature.c with -DTEST_INTEGRATOR as described at the end. */ /* a vector integrand - evaluates the function at the given point x (an array of length ndim) and returns the result in fval (an array of length fdim). The void* parameter is there in case you have to pass any additional data through to your function (it corresponds to the fdata parameter you pass to adapt_integrate). */ using integrand = void (*)(unsigned int, const double*, void*, unsigned int, double*); /* a vector integrand of a vector of npt points: x[i*ndim + j] is the j-th coordinate of the i-th point, and the k-th function evaluation for the i-th point is returned in fval[k*npt + i]. */ using integrand_v = void (*)(unsigned int, unsigned int, const double*, void*, unsigned int, double*); /* Integrate the function f from xmin[dim] to xmax[dim], with at most maxEval function evaluations (0 for no limit), until the given absolute or relative error is achieved. val returns the integral, and err returns the estimate for the absolute error in val; both of these are arrays of length fdim, the dimension of the vector integrand f(x). The return value of the function is 0 on success and non-zero if there was an error. */ int adapt_integrate(unsigned int fdim, integrand f, void* fdata, unsigned int dim, const double* xmin, const double* xmax, unsigned int maxEval, double reqAbsError, double reqRelError, double* val, double* err); /* as adapt_integrate, but vectorized integrand */ int adapt_integrate_v(unsigned int fdim, integrand_v f, void* fdata, unsigned int dim, const double* xmin, const double* xmax, unsigned int maxEval, double reqAbsError, double reqRelError, double* val, double* err); //#ifdef __cplusplus //} /* extern "C" */ //#endif /* __cplusplus */ #include "qtaimwavefunction.h" namespace Avogadro::QtPlugins { class QTAIMCubature { public: enum { ElectronDensity = 0, ElectronDensityLaplacian = 1 }; explicit QTAIMCubature(QTAIMWavefunction& wfn); ~QTAIMCubature(); QList> integrate(qint64 mode, QList basins); void setMode(qint64 mode); private: QTAIMWavefunction* m_wfn; qint64 m_mode; QList m_basins; QString m_temporaryFileName; QString temporaryFileName(); QList m_ncpList; }; } // namespace Avogadro::QtPlugins #endif /* QTAIMCUBATURE_H */ avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/qtaimengine.cpp000066400000000000000000000217521474375334400243220ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "qtaimengine.h" #include #include #include #include #include #include using namespace Avogadro; using namespace Avogadro::Rendering; namespace Avogadro::QtPlugins { QTAIMEngine::QTAIMEngine(QObject* aParent) : QtGui::ScenePlugin(aParent), m_enabled(false) { } void QTAIMEngine::process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) { // Create sphere/cylinder nodes. auto* geometry = new GeometryNode; node.addChild(geometry); auto* spheres = new SphereGeometry; geometry->addDrawable(spheres); auto* cylinders = new CylinderGeometry; geometry->addDrawable(cylinders); // Render the bond paths if (molecule.property("QTAIMFirstNCPIndexVariantList").isValid() && molecule.property("QTAIMSecondNCPIndexVariantList").isValid() && molecule.property("QTAIMLaplacianAtBondCriticalPoints").isValid() && molecule.property("QTAIMEllipticityAtBondCriticalPoints").isValid() && molecule.property("QTAIMBondPathSegmentStartIndex").isValid() && molecule.property("QTAIMBondPathSegmentEndIndex").isValid() && molecule.property("QTAIMXBondPaths").isValid() && molecule.property("QTAIMYBondPaths").isValid() && molecule.property("QTAIMZBondPaths").isValid()) { QVariant firstNCPIndexVariant = molecule.property("QTAIMFirstNCPIndexVariantList"); QVariant secondNCPIndexVariant = molecule.property("QTAIMSecondNCPIndexVariantList"); QVariant laplacianAtBondCriticalPointsVariant = molecule.property("QTAIMLaplacianAtBondCriticalPoints"); QVariant ellipticityAtBondCriticalPointsVariant = molecule.property("QTAIMEllipticityAtBondCriticalPoints"); QVariant bondPathSegmentStartIndexVariant = molecule.property("QTAIMBondPathSegmentStartIndex"); QVariant bondPathSegmentEndIndexVariant = molecule.property("QTAIMBondPathSegmentEndIndex"); QVariant xBondPathsVariant = molecule.property("QTAIMXBondPaths"); QVariant yBondPathsVariant = molecule.property("QTAIMYBondPaths"); QVariant zBondPathsVariant = molecule.property("QTAIMZBondPaths"); QVariantList firstNCPIndexVariantList = firstNCPIndexVariant.toList(); QVariantList secondNCPIndexVariantList = secondNCPIndexVariant.toList(); QVariantList laplacianAtBondCriticalPointsVariantList = laplacianAtBondCriticalPointsVariant.toList(); QVariantList ellipticityAtBondCriticalPointsVariantList = ellipticityAtBondCriticalPointsVariant.toList(); QVariantList bondPathSegmentStartIndexVariantList = bondPathSegmentStartIndexVariant.toList(); QVariantList bondPathSegmentEndIndexVariantList = bondPathSegmentEndIndexVariant.toList(); QVariantList xBondPathsVariantList = xBondPathsVariant.toList(); QVariantList yBondPathsVariantList = yBondPathsVariant.toList(); QVariantList zBondPathsVariantList = zBondPathsVariant.toList(); for (qint64 i = 0; i < firstNCPIndexVariantList.length(); ++i) { qint64 start = bondPathSegmentStartIndexVariantList.at(i).toLongLong(); qint64 end = bondPathSegmentEndIndexVariantList.at(i).toLongLong(); if (laplacianAtBondCriticalPointsVariantList.at(i).toReal() > 0.0) { const qint64 step = 4; Vector3f xyz; Vector3ub color(255, 255, 255); for (qint64 j = start; j < end - 1; j = j + step) { xyz << xBondPathsVariantList.at(j).toFloat(), yBondPathsVariantList.at(j).toFloat(), zBondPathsVariantList.at(j).toFloat(); spheres->addSphere(xyz, color, 0.025f); } } else { const qint64 step = 1; Vector3ub color(255, 255, 255); double radius = 0.025; Vector3f v1; Vector3f v2; Vector3f direction; for (qint64 j = start; j < end - 1; j = j + step) { v1 << xBondPathsVariantList.at(j).toFloat(), yBondPathsVariantList.at(j).toFloat(), zBondPathsVariantList.at(j).toFloat(); v2 << xBondPathsVariantList.at(j + 1).toFloat(), yBondPathsVariantList.at(j + 1).toFloat(), zBondPathsVariantList.at(j + 1).toFloat(); direction = v2 - v1; float length = direction.norm(); direction /= length; cylinders->addCylinder(v1, v2, radius, color); } } } // bond path } if (molecule.property("QTAIMXNuclearCriticalPoints").isValid() && molecule.property("QTAIMYNuclearCriticalPoints").isValid() && molecule.property("QTAIMZNuclearCriticalPoints").isValid()) { QVariant xNuclearCriticalPointsVariant = molecule.property("QTAIMXNuclearCriticalPoints"); QVariant yNuclearCriticalPointsVariant = molecule.property("QTAIMYNuclearCriticalPoints"); QVariant zNuclearCriticalPointsVariant = molecule.property("QTAIMZNuclearCriticalPoints"); QVariantList xNuclearCriticalPointsVariantList = xNuclearCriticalPointsVariant.toList(); QVariantList yNuclearCriticalPointsVariantList = yNuclearCriticalPointsVariant.toList(); QVariantList zNuclearCriticalPointsVariantList = zNuclearCriticalPointsVariant.toList(); if (xNuclearCriticalPointsVariantList.length() == yNuclearCriticalPointsVariantList.length() && xNuclearCriticalPointsVariantList.length() == zNuclearCriticalPointsVariantList.length()) { Vector3f xyz; Vector3ub color(255, 64, 255); for (qint64 i = 0; i < xNuclearCriticalPointsVariantList.length(); ++i) { xyz << xNuclearCriticalPointsVariantList.at(i).toFloat(), yNuclearCriticalPointsVariantList.at(i).toFloat(), zNuclearCriticalPointsVariantList.at(i).toFloat(); // map->setFromPrimitive(ncp); spheres->addSphere(xyz, color, 0.1f); } } } if (molecule.property("QTAIMXBondCriticalPoints").isValid() && molecule.property("QTAIMYBondCriticalPoints").isValid() && molecule.property("QTAIMZBondCriticalPoints").isValid()) { QVariant xBondCriticalPointsVariant = molecule.property("QTAIMXBondCriticalPoints"); QVariant yBondCriticalPointsVariant = molecule.property("QTAIMYBondCriticalPoints"); QVariant zBondCriticalPointsVariant = molecule.property("QTAIMZBondCriticalPoints"); QVariantList xBondCriticalPointsVariantList = xBondCriticalPointsVariant.toList(); QVariantList yBondCriticalPointsVariantList = yBondCriticalPointsVariant.toList(); QVariantList zBondCriticalPointsVariantList = zBondCriticalPointsVariant.toList(); if (xBondCriticalPointsVariantList.length() == yBondCriticalPointsVariantList.length() && xBondCriticalPointsVariantList.length() == zBondCriticalPointsVariantList.length()) { Vector3ub color(255, 255, 32); Vector3f xyz; for (qint64 i = 0; i < xBondCriticalPointsVariantList.length(); ++i) { xyz << xBondCriticalPointsVariantList.at(i).toFloat(), yBondCriticalPointsVariantList.at(i).toFloat(), zBondCriticalPointsVariantList.at(i).toFloat(); // map->setFromPrimitive(ncp); spheres->addSphere(xyz, color, 0.1f); } } } if (molecule.property("QTAIMXElectronDensitySources").isValid() && molecule.property("QTAIMYElectronDensitySources").isValid() && molecule.property("QTAIMZElectronDensitySources").isValid()) { QVariant xElectronDensitySourcesVariant = molecule.property("QTAIMXElectronDensitySources"); QVariant yElectronDensitySourcesVariant = molecule.property("QTAIMYElectronDensitySources"); QVariant zElectronDensitySourcesVariant = molecule.property("QTAIMZElectronDensitySources"); QVariantList xElectronDensitySourcesVariantList = xElectronDensitySourcesVariant.toList(); QVariantList yElectronDensitySourcesVariantList = yElectronDensitySourcesVariant.toList(); QVariantList zElectronDensitySourcesVariantList = zElectronDensitySourcesVariant.toList(); if (xElectronDensitySourcesVariantList.length() == yElectronDensitySourcesVariantList.length() && xElectronDensitySourcesVariantList.length() == zElectronDensitySourcesVariantList.length()) { Vector3ub color(64, 64, 255); Vector3f xyz; for (qint64 i = 0; i < xElectronDensitySourcesVariantList.length(); ++i) { xyz << xElectronDensitySourcesVariantList.at(i).toFloat(), yElectronDensitySourcesVariantList.at(i).toFloat(), zElectronDensitySourcesVariantList.at(i).toFloat(); // map->setFromPrimitive(ncp); spheres->addSphere(xyz, color, 0.1f); } } } } } // end namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/qtaimengine.h000066400000000000000000000017021474375334400237600ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef QTAIMENGINE_H #define QTAIMENGINE_H #include #include namespace Avogadro::QtPlugins { class QTAIMEngine : public QtGui::ScenePlugin { Q_OBJECT public: explicit QTAIMEngine(QObject* parent = nullptr); virtual ~QTAIMEngine() override = default; void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; QString name() const override { return tr("QTAIM"); } QString description() const override { return tr("Renders primitives using QTAIM properties"); } private: bool m_enabled; }; } // end namespace Avogadro::QtPlugins #endif avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/qtaimextension.cpp000066400000000000000000000667221474375334400250770ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "qtaimextension.h" #include "qtaimcriticalpointlocator.h" #include "qtaimcubature.h" #include "qtaimwavefunctionevaluator.h" #include #include #include #include #include #include #include #include #include #include #include using namespace Eigen; namespace Avogadro::QtPlugins { enum QTAIMExtensionIndex { FirstAction = 0, SecondAction, ThirdAction }; QTAIMExtension::QTAIMExtension(QObject* aParent) : QtGui::ExtensionPlugin(aParent) { // create an action for our first action auto* action = new QAction(this); action->setText(tr("Molecular Graph…")); m_actions.append(action); action->setData(FirstAction); connect(action, SIGNAL(triggered()), SLOT(triggered())); // create an action for our second action action = new QAction(this); action->setText(tr("Molecular Graph with Lone Pairs…")); m_actions.append(action); action->setData(SecondAction); connect(action, SIGNAL(triggered()), SLOT(triggered())); // create an action for our third action action = new QAction(this); action->setText(tr("Atomic Charge…")); m_actions.append(action); action->setData(ThirdAction); connect(action, SIGNAL(triggered()), SLOT(triggered())); } QList QTAIMExtension::actions() const { return m_actions; } QStringList QTAIMExtension::menuPath(QAction*) const { return QStringList() << tr("&Analysis") << tr("QTAIM"); } void QTAIMExtension::setMolecule(QtGui::Molecule* molecule) { m_molecule = molecule; } void QTAIMExtension::triggered() { auto* action = qobject_cast(sender()); if (!action) return; bool wavefunctionAlreadyLoaded = m_molecule->property("QTAIMComment").isValid(); int i = action->data().toInt(); QTime timer; timer.start(); QString fileName; if (!wavefunctionAlreadyLoaded) { fileName = QFileDialog::getOpenFileName( new QWidget, tr("Open WFN File"), QDir::homePath(), tr("WFN files (*.wfn);;All files (*.*)")); if (fileName.isNull()) { qDebug() << "No such file."; return; } } // Instantiate a Wavefunction bool success = false; QTAIMWavefunction wfn; if (wavefunctionAlreadyLoaded) { success = wfn.initializeWithMoleculeProperties(m_molecule); } else { success = wfn.initializeWithWFNFile(fileName); } if (!success) { if (wavefunctionAlreadyLoaded) { qDebug() << "Error initializing wavefunction."; } else { qDebug() << "Error reading WFN file."; } return; } QtGui::Molecule::MoleculeChanges changes; if (m_molecule->atomCount() > 0) changes |= QtGui::Molecule::Atoms | QtGui::Molecule::Removed; if (m_molecule->bondCount() > 0) changes |= QtGui::Molecule::Bonds | QtGui::Molecule::Removed; m_molecule->clearAtoms(); m_molecule->emitChanged(static_cast(changes)); // Instantiate an Evaluator QTAIMWavefunctionEvaluator eval(wfn); switch (i) { case FirstAction: // Molecular Graph { // Instantiate a Critical Point Locator QTAIMCriticalPointLocator cpl(wfn); // Locate the Nuclear Critical Points cpl.locateNuclearCriticalPoints(); // QLists of results QList nucChargeList = wfn.nuclearChargesList(); QList ncpList = cpl.nuclearCriticalPoints(); QVariantList xNCPsVariantList; QVariantList yNCPsVariantList; QVariantList zNCPsVariantList; QVariantList nuclearChargesVariantList; const qreal convertBohrToAngstrom = 0.529177249; // Nuclear Critical Points for (qint64 n = 0; n < ncpList.length(); ++n) { QVector3D thisNuclearCriticalPoint = ncpList.at(n); qreal x = thisNuclearCriticalPoint.x() * convertBohrToAngstrom; qreal y = thisNuclearCriticalPoint.y() * convertBohrToAngstrom; qreal z = thisNuclearCriticalPoint.z() * convertBohrToAngstrom; xNCPsVariantList.append(x); yNCPsVariantList.append(y); zNCPsVariantList.append(z); nuclearChargesVariantList.append(wfn.nuclearCharge(n)); } m_molecule->setProperty("QTAIMXNuclearCriticalPoints", xNCPsVariantList); m_molecule->setProperty("QTAIMYNuclearCriticalPoints", yNCPsVariantList); m_molecule->setProperty("QTAIMZNuclearCriticalPoints", zNCPsVariantList); m_molecule->setProperty("QTAIMNuclearCharges", nuclearChargesVariantList); // Nuclei stored as Atoms for (qint64 n = 0; n < wfn.numberOfNuclei(); ++n) { qreal x = wfn.xNuclearCoordinate(n) * convertBohrToAngstrom; qreal y = wfn.yNuclearCoordinate(n) * convertBohrToAngstrom; qreal z = wfn.zNuclearCoordinate(n) * convertBohrToAngstrom; int Z = (int)wfn.nuclearCharge(n); m_molecule->addAtom(static_cast(Z)) .setPosition3d(Vector3(static_cast(x), static_cast(y), static_cast(z))); } if (m_molecule->atomCount() > 0) { m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Added); } // Locate the Bond Critical Points and Trace Bond Paths cpl.locateBondCriticalPoints(); // BCP and Bond Path Results QList bcpList = cpl.bondCriticalPoints(); QList> bondPathList = cpl.bondPaths(); QList> bondedAtomsList = cpl.bondedAtoms(); QList laplacianAtBondCriticalPoints = cpl.laplacianAtBondCriticalPoints(); QList ellipticityAtBondCriticalPoints = cpl.ellipticityAtBondCriticalPoints(); QVariantList xBCPsVariantList; QVariantList yBCPsVariantList; QVariantList zBCPsVariantList; QVariantList firstNCPIndexVariantList; QVariantList secondNCPIndexVariantList; QVariantList laplacianAtBondCriticalPointsVariantList; QVariantList ellipticityAtBondCriticalPointsVariantList; QVariantList bondPathSegmentStartIndexVariantList; QVariantList bondPathSegmentEndIndexVariantList; QVariantList xBondPathsVariantList; QVariantList yBondPathsVariantList; QVariantList zBondPathsVariantList; // Connectivity stored as Bonds qint64 bpCtr = 0; auto numAtoms = static_cast(m_molecule->atomCount()); for (qint64 atom0 = 0; atom0 < numAtoms - 1; ++atom0) { for (qint64 atom1 = atom0 + 1; atom1 < numAtoms; ++atom1) { bool areBonded = false; for (qint64 bondPair = 0; bondPair < bondedAtomsList.length(); ++bondPair) { if (atom0 == bondedAtomsList.at(bondPair).first && atom1 == bondedAtomsList.at(bondPair).second) { areBonded = true; if (areBonded) { if ((wfn.nuclearCharge(atom0) == 1 || wfn.nuclearCharge(atom1) == 1) && laplacianAtBondCriticalPoints.at(bondPair) > 0.0) { // do not draw Bond because it looks like hydrogen bond } else { m_molecule->addBond( m_molecule->atom(static_cast(atom0)), m_molecule->atom(static_cast(atom1))); // bond->setAromaticity(isAromatic); // bond->setOrder( (int) order); } qreal x = bcpList.at(bondPair).x() * convertBohrToAngstrom; qreal y = bcpList.at(bondPair).y() * convertBohrToAngstrom; qreal z = bcpList.at(bondPair).z() * convertBohrToAngstrom; xBCPsVariantList.append(x); yBCPsVariantList.append(y); zBCPsVariantList.append(z); firstNCPIndexVariantList.append(atom0); secondNCPIndexVariantList.append(atom1); laplacianAtBondCriticalPointsVariantList.append( laplacianAtBondCriticalPoints.at(bondPair)); ellipticityAtBondCriticalPointsVariantList.append( ellipticityAtBondCriticalPoints.at(bondPair)); bondPathSegmentStartIndexVariantList.append(bpCtr); for (auto j : bondPathList.at(bondPair)) { x = j.x() * convertBohrToAngstrom; y = j.y() * convertBohrToAngstrom; z = j.z() * convertBohrToAngstrom; xBondPathsVariantList.append(x); yBondPathsVariantList.append(y); zBondPathsVariantList.append(z); bpCtr++; } bondPathSegmentEndIndexVariantList.append(bpCtr); } } } // bond pairs } // atom1 } // atom 0 m_molecule->setProperty("QTAIMXBondCriticalPoints", xBCPsVariantList); m_molecule->setProperty("QTAIMYBondCriticalPoints", yBCPsVariantList); m_molecule->setProperty("QTAIMZBondCriticalPoints", zBCPsVariantList); m_molecule->setProperty("QTAIMFirstNCPIndexVariantList", firstNCPIndexVariantList); m_molecule->setProperty("QTAIMSecondNCPIndexVariantList", secondNCPIndexVariantList); m_molecule->setProperty("QTAIMLaplacianAtBondCriticalPoints", laplacianAtBondCriticalPointsVariantList); m_molecule->setProperty("QTAIMEllipticityAtBondCriticalPoints", ellipticityAtBondCriticalPointsVariantList); m_molecule->setProperty("QTAIMBondPathSegmentStartIndex", bondPathSegmentStartIndexVariantList); m_molecule->setProperty("QTAIMBondPathSegmentEndIndex", bondPathSegmentEndIndexVariantList); m_molecule->setProperty("QTAIMXBondPaths", xBondPathsVariantList); m_molecule->setProperty("QTAIMYBondPaths", yBondPathsVariantList); m_molecule->setProperty("QTAIMZBondPaths", zBondPathsVariantList); if (m_molecule->bondCount()) { m_molecule->emitChanged(QtGui::Molecule::Bonds | QtGui::Molecule::Added); } } break; case SecondAction: // Molecular Graph with Lone Pairs { // Instantiate a Critical Point Locator QTAIMCriticalPointLocator cpl(wfn); // Locate the Nuclear Critical Points cpl.locateNuclearCriticalPoints(); // QLists of results QList nucChargeList = wfn.nuclearChargesList(); QList ncpList = cpl.nuclearCriticalPoints(); QVariantList xNCPsVariantList; QVariantList yNCPsVariantList; QVariantList zNCPsVariantList; QVariantList nuclearChargesVariantList; const qreal convertBohrToAngstrom = 0.529177249; // Nuclear Critical Points for (qint64 n = 0; n < ncpList.length(); ++n) { QVector3D thisNuclearCriticalPoint = ncpList.at(n); qreal x = thisNuclearCriticalPoint.x() * convertBohrToAngstrom; qreal y = thisNuclearCriticalPoint.y() * convertBohrToAngstrom; qreal z = thisNuclearCriticalPoint.z() * convertBohrToAngstrom; xNCPsVariantList.append(x); yNCPsVariantList.append(y); zNCPsVariantList.append(z); nuclearChargesVariantList.append(wfn.nuclearCharge(n)); } m_molecule->setProperty("QTAIMXNuclearCriticalPoints", xNCPsVariantList); m_molecule->setProperty("QTAIMYNuclearCriticalPoints", yNCPsVariantList); m_molecule->setProperty("QTAIMZNuclearCriticalPoints", zNCPsVariantList); m_molecule->setProperty("QTAIMNuclearCharges", nuclearChargesVariantList); // Nuclei stored as Atoms for (qint64 n = 0; n < wfn.numberOfNuclei(); ++n) { qreal x = wfn.xNuclearCoordinate(n) * convertBohrToAngstrom; qreal y = wfn.yNuclearCoordinate(n) * convertBohrToAngstrom; qreal z = wfn.zNuclearCoordinate(n) * convertBohrToAngstrom; int Z = (int)wfn.nuclearCharge(n); m_molecule->addAtom(static_cast(Z)) .setPosition3d(Vector3(static_cast(x), static_cast(y), static_cast(z))); } if (m_molecule->atomCount() > 0) { m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Added); } // Locate the Bond Critical Points and Trace Bond Paths cpl.locateBondCriticalPoints(); // BCP and Bond Path Results QList bcpList = cpl.bondCriticalPoints(); QList> bondPathList = cpl.bondPaths(); QList> bondedAtomsList = cpl.bondedAtoms(); QList laplacianAtBondCriticalPoints = cpl.laplacianAtBondCriticalPoints(); QList ellipticityAtBondCriticalPoints = cpl.ellipticityAtBondCriticalPoints(); QVariantList xBCPsVariantList; QVariantList yBCPsVariantList; QVariantList zBCPsVariantList; QVariantList firstNCPIndexVariantList; QVariantList secondNCPIndexVariantList; QVariantList laplacianAtBondCriticalPointsVariantList; QVariantList ellipticityAtBondCriticalPointsVariantList; QVariantList bondPathSegmentStartIndexVariantList; QVariantList bondPathSegmentEndIndexVariantList; QVariantList xBondPathsVariantList; QVariantList yBondPathsVariantList; QVariantList zBondPathsVariantList; // Connectivity stored as Bonds qint64 bpCtr = 0; auto numAtoms = static_cast(m_molecule->atomCount()); for (qint64 atom0 = 0; atom0 < numAtoms - 1; ++atom0) { for (qint64 atom1 = atom0 + 1; atom1 < numAtoms; ++atom1) { bool areBonded = false; for (qint64 bondPair = 0; bondPair < bondedAtomsList.length(); ++bondPair) { if (atom0 == bondedAtomsList.at(bondPair).first && atom1 == bondedAtomsList.at(bondPair).second) { areBonded = true; if (areBonded) { if ((wfn.nuclearCharge(atom0) == 1 || wfn.nuclearCharge(atom1) == 1) && laplacianAtBondCriticalPoints.at(bondPair) > 0.0) { // do not draw Bond because it looks like hydrogen bond } else { m_molecule->addBond( m_molecule->atom(static_cast(atom0)), m_molecule->atom(static_cast(atom1))); // bond->setAromaticity(isAromatic); // bond->setOrder( (int) order); } qreal x = bcpList.at(bondPair).x() * convertBohrToAngstrom; qreal y = bcpList.at(bondPair).y() * convertBohrToAngstrom; qreal z = bcpList.at(bondPair).z() * convertBohrToAngstrom; xBCPsVariantList.append(x); yBCPsVariantList.append(y); zBCPsVariantList.append(z); firstNCPIndexVariantList.append(atom0); secondNCPIndexVariantList.append(atom1); laplacianAtBondCriticalPointsVariantList.append( laplacianAtBondCriticalPoints.at(bondPair)); ellipticityAtBondCriticalPointsVariantList.append( ellipticityAtBondCriticalPoints.at(bondPair)); bondPathSegmentStartIndexVariantList.append(bpCtr); for (auto j : bondPathList.at(bondPair)) { x = j.x() * convertBohrToAngstrom; y = j.y() * convertBohrToAngstrom; z = j.z() * convertBohrToAngstrom; xBondPathsVariantList.append(x); yBondPathsVariantList.append(y); zBondPathsVariantList.append(z); bpCtr++; } bondPathSegmentEndIndexVariantList.append(bpCtr); } } } // bond pairs } // atom1 } // atom 0 m_molecule->setProperty("QTAIMXBondCriticalPoints", xBCPsVariantList); m_molecule->setProperty("QTAIMYBondCriticalPoints", yBCPsVariantList); m_molecule->setProperty("QTAIMZBondCriticalPoints", zBCPsVariantList); m_molecule->setProperty("QTAIMFirstNCPIndexVariantList", firstNCPIndexVariantList); m_molecule->setProperty("QTAIMSecondNCPIndexVariantList", secondNCPIndexVariantList); m_molecule->setProperty("QTAIMLaplacianAtBondCriticalPoints", laplacianAtBondCriticalPointsVariantList); m_molecule->setProperty("QTAIMEllipticityAtBondCriticalPoints", ellipticityAtBondCriticalPointsVariantList); m_molecule->setProperty("QTAIMBondPathSegmentStartIndex", bondPathSegmentStartIndexVariantList); m_molecule->setProperty("QTAIMBondPathSegmentEndIndex", bondPathSegmentEndIndexVariantList); m_molecule->setProperty("QTAIMXBondPaths", xBondPathsVariantList); m_molecule->setProperty("QTAIMYBondPaths", yBondPathsVariantList); m_molecule->setProperty("QTAIMZBondPaths", zBondPathsVariantList); if (m_molecule->bondCount()) { m_molecule->emitChanged(QtGui::Molecule::Bonds | QtGui::Molecule::Added); } // Locate Electron Density Sources / Lone Pairs cpl.locateElectronDensitySources(); QList electronDensitySourcesList = cpl.electronDensitySources(); QVariantList xElectronDensitySourcesVariantList; QVariantList yElectronDensitySourcesVariantList; QVariantList zElectronDensitySourcesVariantList; for (auto thisCriticalPoint : electronDensitySourcesList) { qreal x = thisCriticalPoint.x() * convertBohrToAngstrom; qreal y = thisCriticalPoint.y() * convertBohrToAngstrom; qreal z = thisCriticalPoint.z() * convertBohrToAngstrom; xElectronDensitySourcesVariantList.append(x); yElectronDensitySourcesVariantList.append(y); zElectronDensitySourcesVariantList.append(z); } m_molecule->setProperty("QTAIMXElectronDensitySources", xElectronDensitySourcesVariantList); m_molecule->setProperty("QTAIMYElectronDensitySources", yElectronDensitySourcesVariantList); m_molecule->setProperty("QTAIMZElectronDensitySources", zElectronDensitySourcesVariantList); // TODO need some way to indicate that the properties have changed: // m_molecule->update(); } break; case ThirdAction: // perform third action { // Instantiate a Critical Point Locator QTAIMCriticalPointLocator cpl(wfn); // Locate the Nuclear Critical Points cpl.locateNuclearCriticalPoints(); // QLists of results QList nucChargeList = wfn.nuclearChargesList(); QList ncpList = cpl.nuclearCriticalPoints(); QVariantList xNCPsVariantList; QVariantList yNCPsVariantList; QVariantList zNCPsVariantList; QVariantList nuclearChargesVariantList; const qreal convertBohrToAngstrom = 0.529177249; // Nuclear Critical Points for (qint64 n = 0; n < ncpList.length(); ++n) { QVector3D thisNuclearCriticalPoint = ncpList.at(n); qreal x = thisNuclearCriticalPoint.x() * convertBohrToAngstrom; qreal y = thisNuclearCriticalPoint.y() * convertBohrToAngstrom; qreal z = thisNuclearCriticalPoint.z() * convertBohrToAngstrom; xNCPsVariantList.append(x); yNCPsVariantList.append(y); zNCPsVariantList.append(z); nuclearChargesVariantList.append(wfn.nuclearCharge(n)); } m_molecule->setProperty("QTAIMXNuclearCriticalPoints", xNCPsVariantList); m_molecule->setProperty("QTAIMYNuclearCriticalPoints", yNCPsVariantList); m_molecule->setProperty("QTAIMZNuclearCriticalPoints", zNCPsVariantList); m_molecule->setProperty("QTAIMNuclearCharges", nuclearChargesVariantList); // Nuclei stored as Atoms for (qint64 n = 0; n < wfn.numberOfNuclei(); ++n) { qreal x = wfn.xNuclearCoordinate(n) * convertBohrToAngstrom; qreal y = wfn.yNuclearCoordinate(n) * convertBohrToAngstrom; qreal z = wfn.zNuclearCoordinate(n) * convertBohrToAngstrom; int Z = (int)wfn.nuclearCharge(n); m_molecule->addAtom(static_cast(Z)) .setPosition3d(Vector3(static_cast(x), static_cast(y), static_cast(z))); } if (m_molecule->atomCount() > 0) { m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Added); } // Locate the Bond Critical Points and Trace Bond Paths cpl.locateBondCriticalPoints(); // BCP and Bond Path Results QList bcpList = cpl.bondCriticalPoints(); QList> bondPathList = cpl.bondPaths(); QList> bondedAtomsList = cpl.bondedAtoms(); QList laplacianAtBondCriticalPoints = cpl.laplacianAtBondCriticalPoints(); QList ellipticityAtBondCriticalPoints = cpl.ellipticityAtBondCriticalPoints(); QVariantList xBCPsVariantList; QVariantList yBCPsVariantList; QVariantList zBCPsVariantList; QVariantList firstNCPIndexVariantList; QVariantList secondNCPIndexVariantList; QVariantList laplacianAtBondCriticalPointsVariantList; QVariantList ellipticityAtBondCriticalPointsVariantList; QVariantList bondPathSegmentStartIndexVariantList; QVariantList bondPathSegmentEndIndexVariantList; QVariantList xBondPathsVariantList; QVariantList yBondPathsVariantList; QVariantList zBondPathsVariantList; // Connectivity stored as Bonds qint64 bpCtr = 0; auto numAtoms = static_cast(m_molecule->atomCount()); for (qint64 atom0 = 0; atom0 < numAtoms - 1; ++atom0) { for (qint64 atom1 = atom0 + 1; atom1 < numAtoms; ++atom1) { bool areBonded = false; for (qint64 bondPair = 0; bondPair < bondedAtomsList.length(); ++bondPair) { if (atom0 == bondedAtomsList.at(bondPair).first && atom1 == bondedAtomsList.at(bondPair).second) { areBonded = true; if (areBonded) { if ((wfn.nuclearCharge(atom0) == 1 || wfn.nuclearCharge(atom1) == 1) && laplacianAtBondCriticalPoints.at(bondPair) > 0.0) { // do not draw Bond because it looks like hydrogen bond } else { m_molecule->addBond( m_molecule->atom(static_cast(atom0)), m_molecule->atom(static_cast(atom1))); // bond->setAromaticity(isAromatic); // bond->setOrder( (int) order); } qreal x = bcpList.at(bondPair).x() * convertBohrToAngstrom; qreal y = bcpList.at(bondPair).y() * convertBohrToAngstrom; qreal z = bcpList.at(bondPair).z() * convertBohrToAngstrom; xBCPsVariantList.append(x); yBCPsVariantList.append(y); zBCPsVariantList.append(z); firstNCPIndexVariantList.append(atom0); secondNCPIndexVariantList.append(atom1); laplacianAtBondCriticalPointsVariantList.append( laplacianAtBondCriticalPoints.at(bondPair)); ellipticityAtBondCriticalPointsVariantList.append( ellipticityAtBondCriticalPoints.at(bondPair)); bondPathSegmentStartIndexVariantList.append(bpCtr); for (auto j : bondPathList.at(bondPair)) { x = j.x() * convertBohrToAngstrom; y = j.y() * convertBohrToAngstrom; z = j.z() * convertBohrToAngstrom; xBondPathsVariantList.append(x); yBondPathsVariantList.append(y); zBondPathsVariantList.append(z); bpCtr++; } bondPathSegmentEndIndexVariantList.append(bpCtr); } } } // bond pairs } // atom1 } // atom 0 m_molecule->setProperty("QTAIMXBondCriticalPoints", xBCPsVariantList); m_molecule->setProperty("QTAIMYBondCriticalPoints", yBCPsVariantList); m_molecule->setProperty("QTAIMZBondCriticalPoints", zBCPsVariantList); m_molecule->setProperty("QTAIMFirstNCPIndexVariantList", firstNCPIndexVariantList); m_molecule->setProperty("QTAIMSecondNCPIndexVariantList", secondNCPIndexVariantList); m_molecule->setProperty("QTAIMLaplacianAtBondCriticalPoints", laplacianAtBondCriticalPointsVariantList); m_molecule->setProperty("QTAIMEllipticityAtBondCriticalPoints", ellipticityAtBondCriticalPointsVariantList); m_molecule->setProperty("QTAIMBondPathSegmentStartIndex", bondPathSegmentStartIndexVariantList); m_molecule->setProperty("QTAIMBondPathSegmentEndIndex", bondPathSegmentEndIndexVariantList); m_molecule->setProperty("QTAIMXBondPaths", xBondPathsVariantList); m_molecule->setProperty("QTAIMYBondPaths", yBondPathsVariantList); m_molecule->setProperty("QTAIMZBondPaths", zBondPathsVariantList); if (m_molecule->bondCount() > 0) { m_molecule->emitChanged(QtGui::Molecule::Bonds | QtGui::Molecule::Added); } // Electron Density qint64 mode = 0; // All Atomic Basins QList basins; for (qint64 j = 0; j < wfn.numberOfNuclei(); ++j) { basins.append(j); } QTAIMCubature cub(wfn); // QTime time; // time.start(); QList> results = cub.integrate(mode, basins); // qDebug() << "Time Elapsed:" << time.elapsed(); for (qint64 j = 0; j < results.length(); ++j) { qDebug() << "basin" << j << results.at(j).first << results.at(j).second; } // TODO: Set the properties of the atoms. // I don't know why this bombs. for (qint64 j = 0; static_cast(m_molecule->atomCount()); ++j) { // Atom *atom=m_molecule->atoms().at(i); // const qreal charge=results.at(i).first; // atom->setPartialCharge( charge ); } } break; } emit requestActiveTool("Navigator"); emit requestActiveDisplayTypes(QStringList() << "QTAIMScenePlugin"); } } // end namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/qtaimextension.h000066400000000000000000000021251474375334400245270ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef QTAIMEXTENSION_H #define QTAIMEXTENSION_H #include #include namespace Avogadro::QtPlugins { class QTAIMExtension : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit QTAIMExtension(QObject* parent = nullptr); ~QTAIMExtension() override = default; QString name() const override { return tr("QTAIM"); } QString description() const override { return tr("QTAIM extension"); } QList actions() const override; QStringList menuPath(QAction* action) const override; public slots: void setMolecule(QtGui::Molecule* molecule) override; private slots: void triggered(); private: QList m_actions; QtGui::Molecule* m_molecule; }; } // end namespace Avogadro::QtPlugins #endif // QTAIMEXTENSION_H avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/qtaimlsodaintegrator.cpp000066400000000000000000002140131474375334400262500ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ /* From tam@dragonfly.wri.com Wed Apr 24 01:35:52 1991 Return-Path: Date: Wed, 24 Apr 91 03:35:24 CDT From: tam@dragonfly.wri.com To: whitbeck@wheeler.wrc.unr.edu Subject: lsoda.c Cc: augenbau@sparc0.brc.uconn.edu I'm told by Steve Nichols at Georgia Tech that you are interested in a stiff integrator. Here's a translation of the fortran code LSODA. Please note that there is no comment. The interface is the same as the FORTRAN code and I believe the documentation in LSODA will suffice. As usual, a free software comes with no guarantee. Hon Wah Tam Wolfram Research, Inc. tam@wri.com */ #include "qtaimlsodaintegrator.h" #include "qtaimmathutilities.h" namespace Avogadro::QtPlugins { QTAIMLSODAIntegrator::QTAIMLSODAIntegrator(QTAIMWavefunctionEvaluator& eval, const qint64 mode) : m_eval(&eval), m_mode(mode), m_associatedSphere(0) { m_betaSpheres.empty(); } QVector3D QTAIMLSODAIntegrator::integrate(QVector3D x0y0z0) { qreal x0 = x0y0z0.x(); qreal y0 = x0y0z0.y(); qreal z0 = x0y0z0.z(); mord[0] = 0; mord[1] = 12; mord[2] = 5; sm1[0] = 0.; sm1[1] = 0.5; sm1[2] = 0.575; sm1[3] = 0.55; sm1[4] = 0.45; sm1[5] = 0.35; sm1[6] = 0.25; sm1[7] = 0.2; sm1[8] = 0.15; sm1[9] = 0.1; sm1[10] = 0.075; sm1[11] = 0.05; sm1[12] = 0.025; illin = 0; init = 0; ntrep = 0; ixpr = 0; mesflg = 1; double rwork1, rwork5, rwork6, rwork7; double atol[4], rtol[4], t, tout, y[4]; int iwork1, iwork2, iwork5, iwork6, iwork7, iwork8, iwork9; int neq = 3; int itol, itask, istate, iopt, jt; y[1] = x0; y[2] = y0; y[3] = z0; double t0; double tf = 100.0; double dt = 0.1; m_path.clear(); m_path.append(QVector3D(y[1], y[2], y[3])); t = 0.0; for (t0 = 0.0; t0 < tf; t0 = t0 + dt) { iwork1 = iwork2 = iwork5 = iwork6 = iwork7 = iwork8 = iwork9 = 0; rwork1 = rwork5 = rwork6 = rwork7 = 0.0; t = t0; tout = t0 + dt; itol = 2; rtol[0] = 0.0; atol[0] = 0.0; rtol[1] = 0.0; rtol[2] = 0.0; rtol[3] = 0.0; atol[1] = 5.0E-5; atol[2] = 5.0E-5; atol[3] = 5.0E-5; itask = 1; istate = 1; iopt = 0; jt = 2; // if( t0 + dt > tf ) qDebug() << "END"; // beta spheres if (m_mode == QTAIMLSODAIntegrator::SteepestAscentPathInElectronDensity) { if (m_betaSpheres.length() > 0) { for (qint64 n_ = 0; n_ < m_betaSpheres.length(); ++n_) { Matrix a(y[1], y[2], y[3]); Matrix b(m_betaSpheres.at(n_).first.x(), m_betaSpheres.at(n_).first.y(), m_betaSpheres.at(n_).first.z()); qreal distance = QTAIMMathUtilities::distance(a, b); if (distance < m_betaSpheres.at(n_).second) { m_status = 0; m_associatedSphere = n_; return QVector3D(m_betaSpheres.at(n_).first.x(), m_betaSpheres.at(n_).first.y(), m_betaSpheres.at(n_).first.z()); } } } } // beta spheres lsoda(neq, y, &t, tout, itol, rtol, atol, itask, &istate, iopt, jt, iwork1, iwork2, iwork5, iwork6, iwork7, iwork8, iwork9, rwork1, rwork5, rwork6, rwork7); m_path.append(QVector3D(y[1], y[2], y[3])); // qDebug(" at t= %12.4e y= %14.6e %14.6e %14.6e", t,y[1],y[2],y[3]); if (istate <= 0) { // qDebug("error istate = %d",istate); // qDebug(" at t= %12.4e y= %14.6e %14.6e %14.6e", // t,y[1],y[2],y[3]); return QVector3D(y[1], y[2], y[3]); } } // ode step return QVector3D(y[1], y[2], y[3]); } void QTAIMLSODAIntegrator::f(int neq, double t, double* y, double* ydot) { neq = neq; // suppress warning t = t; // suppress warning Matrix gradient; Matrix gH; Matrix g; Matrix H; Matrix xyz; xyz << y[1], y[2], y[3]; if (m_mode == SteepestAscentPathInElectronDensity) { g = m_eval->gradientOfElectronDensity(xyz); } else { if (m_mode == 1 || m_mode == 2 || m_mode == 3 || m_mode == 4) { gH = m_eval->gradientAndHessianOfElectronDensity(xyz); } else { gH = m_eval->gradientAndHessianOfElectronDensityLaplacian(xyz); } g(0) = gH(0, 0); g(1) = gH(1, 0); g(2) = gH(2, 0); H(0, 0) = gH(0, 1); H(1, 0) = gH(1, 1); H(2, 0) = gH(2, 1); H(0, 1) = gH(0, 2); H(1, 1) = gH(1, 2); H(2, 1) = gH(2, 2); H(0, 2) = gH(0, 3); H(1, 2) = gH(1, 3); H(2, 2) = gH(2, 3); } switch (m_mode) { case SteepestAscentPathInElectronDensity: gradient = g; break; case CMBPMinusThreeGradientInElectronDensity: gradient = QTAIMMathUtilities::minusThreeSignatureLocatorGradient(g, H); break; case CMBPMinusOneGradientInElectronDensity: gradient = QTAIMMathUtilities::minusOneSignatureLocatorGradient(g, H); break; case CMBPPlusOneGradientInElectronDensity: gradient = QTAIMMathUtilities::plusOneSignatureLocatorGradient(g, H); break; case CMBPPlusThreeGradientInElectronDensity: gradient = QTAIMMathUtilities::plusThreeSignatureLocatorGradient(g, H); break; case CMBPMinusThreeGradientInElectronDensityLaplacian: gradient = QTAIMMathUtilities::minusThreeSignatureLocatorGradient(g, H); break; case CMBPMinusOneGradientInElectronDensityLaplacian: gradient = QTAIMMathUtilities::minusOneSignatureLocatorGradient(g, H); break; case CMBPPlusOneGradientInElectronDensityLaplacian: gradient = QTAIMMathUtilities::plusOneSignatureLocatorGradient(g, H); break; case CMBPPlusThreeGradientInElectronDensityLaplacian: gradient = QTAIMMathUtilities::plusThreeSignatureLocatorGradient(g, H); break; default: qDebug() << "Catastrophic: No ODE parameters for this property."; break; } qreal normGradient = sqrt(gradient(0) * gradient(0) + gradient(1) * gradient(1) + gradient(2) * gradient(2)); ydot[1] = gradient(0) / normGradient; ydot[2] = gradient(1) / normGradient; ydot[3] = gradient(2) / normGradient; } void QTAIMLSODAIntegrator::daxpy(int n_, double da, double* dx, int incx, double* dy, int incy) /* Purpose : To compute dy = da * dx + dy --- Input --- n : number of elements in input vector(s) da : double scalar multiplier dx : double vector with n+1 elements, dx[0] is not used incx : storage spacing between elements of dx dy : double vector with n+1 elements, dy[0] is not used incy : storage spacing between elements of dy --- Output --- dy = da * dx + dy, unchanged if n <= 0 For i = 0 to n-1, replace dy[ly+i*incy] with da*dx[lx+i*incx] + dy[ly+i*incy], where lx = 1 if incx >= 0, else lx = (-incx)*(n-1)+1 and ly is defined in a similar way using incy. */ { int ix, iy, i, m; if (n_ < 0 || da == 0.) return; /* Code for nonequal or nonpositive increments. */ if (incx != incy || incx < 1) { ix = 1; iy = 1; if (incx < 0) ix = (-n_ + 1) * incx + 1; if (incy < 0) iy = (-n_ + 1) * incy + 1; for (i = 1; i <= n_; i++) { dy[iy] = dy[iy] + da * dx[ix]; ix = ix + incx; iy = iy + incy; } return; } /* Code for both increments equal to 1. */ /* Clean-up loop so remaining vector length is a multiple of 4. */ if (incx == 1) { m = n_ % 4; if (m != 0) { for (i = 1; i <= m; i++) dy[i] = dy[i] + da * dx[i]; if (n_ < 4) return; } for (i = m + 1; i <= n_; i = i + 4) { dy[i] = dy[i] + da * dx[i]; dy[i + 1] = dy[i + 1] + da * dx[i + 1]; dy[i + 2] = dy[i + 2] + da * dx[i + 2]; dy[i + 3] = dy[i + 3] + da * dx[i + 3]; } return; } /* Code for equal, positive, nonunit increments. */ for (i = 1; i <= n_ * incx; i = i + incx) dy[i] = da * dx[i] + dy[i]; } double QTAIMLSODAIntegrator::ddot(int n_, double* dx, int incx, double* dy, int incy) /* Purpose : Inner product dx . dy --- Input --- n : number of elements in input vector(s) dx : double vector with n+1 elements, dx[0] is not used incx : storage spacing between elements of dx dy : double vector with n+1 elements, dy[0] is not used incy : storage spacing between elements of dy --- Output --- ddot : dot product dx . dy, 0 if n <= 0 ddot = sum for i = 0 to n-1 of dx[lx+i*incx] * dy[ly+i*incy] where lx = 1 if incx >= 0, else lx = (-incx)*(n-1)+1, and ly is defined in a similar way using incy. */ { double dotprod; int ix, iy, i, m; dotprod = 0.; if (n_ <= 0) return dotprod; /* Code for unequal or nonpositive increments. */ if (incx != incy || incx < 1) { ix = 1; iy = 1; if (incx < 0) ix = (-n_ + 1) * incx + 1; if (incy < 0) iy = (-n_ + 1) * incy + 1; for (i = 1; i <= n_; i++) { dotprod = dotprod + dx[ix] * dy[iy]; ix = ix + incx; iy = iy + incy; } return dotprod; } /* Code for both increments equal to 1. */ /* Clean-up loop so remaining vector length is a multiple of 5. */ if (incx == 1) { m = n_ % 5; if (m != 0) { for (i = 1; i <= m; i++) dotprod = dotprod + dx[i] * dy[i]; if (n_ < 5) return dotprod; } for (i = m + 1; i <= n_; i = i + 5) dotprod = dotprod + dx[i] * dy[i] + dx[i + 1] * dy[i + 1] + dx[i + 2] * dy[i + 2] + dx[i + 3] * dy[i + 3] + dx[i + 4] * dy[i + 4]; return dotprod; } /* Code for positive equal nonunit increments. */ for (i = 1; i <= n_ * incx; i = i + incx) dotprod = dotprod + dx[i] * dy[i]; return dotprod; } void QTAIMLSODAIntegrator::dgefa(double** a, int n_, int* ipvt_, int* info) /* Purpose : dgefa factors a double matrix by Gaussian elimination. dgefa is usually called by dgeco, but it can be called directly with a saving in time if rcond is not needed. (Time for dgeco) = (1+9/n)*(time for dgefa). This c version uses algorithm kji rather than the kij in dgefa.f. Note that the fortran version input variable lda is not needed. On Entry : a : double matrix of dimension ( n+1, n+1 ), the 0-th row and column are not used. a is created using NewDoubleMatrix, hence lda is unnecessary. n : the row dimension of a. On Return : a : a lower triangular matrix and the multipliers which were used to obtain it. The factorization can be written a = L * U where U is a product of permutation and unit upper triangular matrices and L is lower triangular. ipvt : an n+1 integer vector of pivot indices. *info : = 0 normal value, = k if U[k][k] == 0. This is not an error condition for this subroutine, but it does indicate that dgesl or dgedi will divide by zero if called. Use rcond in dgeco for a reliable indication of singularity. Notice that the calling program must use &info. BLAS : daxpy, dscal, idamax */ { int j, k, i; double t; /* Gaussian elimination with partial pivoting. */ *info = 0; for (k = 1; k <= n_ - 1; k++) { /* Find j = pivot index. Note that a[k]+k-1 is the address of the 0-th element of the row vector whose 1st element is a[k][k]. */ j = idamax(n_ - k + 1, a[k] + k - 1, 1) + k - 1; ipvt_[k] = j; /* Zero pivot implies this row already triangularized. */ if (a[k][j] == 0.) { *info = k; continue; } /* Interchange if necessary. */ if (j != k) { t = a[k][j]; a[k][j] = a[k][k]; a[k][k] = t; } /* Compute multipliers. */ t = -1. / a[k][k]; dscal(n_ - k, t, a[k] + k, 1); /* Column elimination with row indexing. */ for (i = k + 1; i <= n_; i++) { t = a[i][j]; if (j != k) { a[i][j] = a[i][k]; a[i][k] = t; } daxpy(n_ - k, t, a[k] + k, 1, a[i] + k, 1); } } /* end k-loop */ ipvt_[n_] = n_; if (a[n_][n_] == 0.) *info = n_; } void QTAIMLSODAIntegrator::dgesl(double** a, int n_, int* ipvt_, double* b, int job) /* Purpose : dgesl solves the linear system a * x = b or Transpose(a) * x = b using the factors computed by dgeco or degfa. On Entry : a : double matrix of dimension ( n+1, n+1 ), the output from dgeco or dgefa. The 0-th row and column are not used. n : the row dimension of a. ipvt : the pivot vector from degco or dgefa. b : the right hand side vector. job : = 0 to solve a * x = b, = nonzero to solve Transpose(a) * x = b. On Return : b : the solution vector x. Error Condition : A division by zero will occur if the input factor contains a zero on the diagonal. Technically this indicates singularity but it is often caused by improper arguments or improper setting of the pointers of a. It will not occur if the subroutines are called correctly and if dgeco has set rcond > 0 or dgefa has set info = 0. BLAS : daxpy, ddot */ { int k, j; double t; /* Job = 0, solve a * x = b. */ if (job == 0) { /* First solve L * y = b. */ for (k = 1; k <= n_; k++) { t = ddot(k - 1, a[k], 1, b, 1); b[k] = (b[k] - t) / a[k][k]; } /* Now solve U * x = y. */ for (k = n_ - 1; k >= 1; k--) { b[k] = b[k] + ddot(n_ - k, a[k] + k, 1, b + k, 1); j = ipvt_[k]; if (j != k) { t = b[j]; b[j] = b[k]; b[k] = t; } } return; } /* Job = nonzero, solve Transpose(a) * x = b. First solve Transpose(U) * y = b. */ for (k = 1; k <= n_ - 1; k++) { j = ipvt_[k]; t = b[j]; if (j != k) { b[j] = b[k]; b[k] = t; } daxpy(n_ - k, t, a[k] + k, 1, b + k, 1); } /* Now solve Transpose(L) * x = y. */ for (k = n_; k >= 1; k--) { b[k] = b[k] / a[k][k]; t = -b[k]; daxpy(k - 1, t, a[k], 1, b, 1); } } void QTAIMLSODAIntegrator::dscal(int n_, double da, double* dx, int incx) /* Purpose : scalar vector multiplication dx = da * dx --- Input --- n : number of elements in input vector da : double scale factor dx : double vector with n+1 elements, dx[0] is not used incx : storage spacing between elements of dx --- Output --- dx = da * dx, unchanged if n <= 0 For i = 0 to n-1, replace dx[1+i*incx] with da * dx[1+i*incx]. */ { int m, i; if (n_ <= 0) return; /* Code for increments not equal to 1. */ if (incx != 1) { for (i = 1; i <= n_ * incx; i = i + incx) dx[i] = da * dx[i]; return; } /* Code for increments equal to 1. */ /* Clean-up loop so remaining vector length is a multiple of 5. */ m = n_ % 5; if (m != 0) { for (i = 1; i <= m; i++) dx[i] = da * dx[i]; if (n_ < 5) return; } for (i = m + 1; i <= n_; i = i + 5) { dx[i] = da * dx[i]; dx[i + 1] = da * dx[i + 1]; dx[i + 2] = da * dx[i + 2]; dx[i + 3] = da * dx[i + 3]; dx[i + 4] = da * dx[i + 4]; } } int QTAIMLSODAIntegrator::idamax(int n_, double* dx, int incx) /* Purpose : Find largest component of double vector dx --- Input --- n : number of elements in input vector dx : double vector with n+1 elements, dx[0] is not used incx : storage spacing between elements of dx --- Output --- idamax : smallest index, 0 if n <= 0 Find smallest index of maximum magnitude of dx. idamax = first i, i=1 to n, to minimize fabs( dx[1-incx+i*incx] ). */ { double dmax, xmag; int i, ii, xindex; xindex = 0; if (n_ <= 0) return xindex; xindex = 1; if (n_ <= 1 || incx <= 0) return xindex; /* Code for increments not equal to 1. */ if (incx != 1) { dmax = fabs(dx[1]); ii = 2; for (i = 1 + incx; i <= n_ * incx; i = i + incx) { xmag = fabs(dx[i]); if (xmag > dmax) { xindex = ii; dmax = xmag; } ii++; } return xindex; } /* Code for increments equal to 1. */ dmax = fabs(dx[1]); for (i = 2; i <= n_; i++) { xmag = fabs(dx[i]); if (xmag > dmax) { xindex = i; dmax = xmag; } } return xindex; } // lsoda.c #define max(a, b) ((a) > (b) ? (a) : (b)) #define min(a, b) ((a) < (b) ? (a) : (b)) #define ETA 2.2204460492503131e-16 /* static void prja(), solsy(), stoda(), cfode(), ewset(), intdy(), terminate(), terminate2(), successreturn(), scaleh(), correction(), methodswitch(), orderswitch(), endstoda(), resetcoeff(), freevectors(), corfailure(); static double vmnorm(), bnorm(), fnorm(); */ /* The following are useful statistics. hu, h, tn, tolsf, tsw, nst, nfe, nje, nqu, nq, imxer, mused, meth */ /* Terminate lsoda due to illegal input. */ void QTAIMLSODAIntegrator::terminate(int* istate) { if (illin == 5) { qDebug("lsoda -- repeated occurrence of illegal input"); qDebug(" run aborted.. apparent infinite loop"); } else { illin++; *istate = -3; } } /* end terminate */ /* Terminate lsoda due to various error conditions. */ void QTAIMLSODAIntegrator::terminate2(double* y, double* t) { int i; yp1 = yh[1]; for (i = 1; i <= n; i++) y[i] = yp1[i]; *t = tn; illin = 0; freevectors(); } /* end terminate2 */ /* The following block handles all successful returns from lsoda. If itask != 1, y is loaded from yh and t is set accordingly. *Istate is set to 2, the illegal input counter is zeroed, and the optional outputs are loaded into the work arrays before returning. */ void QTAIMLSODAIntegrator::successreturn(double* y, double* t, int itask, int ihit, double tcrit, int* istate) { int i; yp1 = yh[1]; for (i = 1; i <= n; i++) y[i] = yp1[i]; *t = tn; if (itask == 4 || itask == 5) if (ihit) *t = tcrit; *istate = 2; illin = 0; freevectors(); } /* end successreturn */ /* In this version all memory allocated using malloc is freed upon exit. Therefore *istate = 2 and *istate = 3 will not work. */ void QTAIMLSODAIntegrator::lsoda(int neq, double* y, double* t, double tout, int itol, double* rtol, double* atol, int itask, int* istate, int iopt, int jt, int iwork1, int iwork2, int iwork5, int iwork6, int iwork7, int iwork8, int iwork9, double rwork1, double rwork5, double rwork6, double rwork7) /* If the user does not supply any of these values, the calling program should initialize those untouched working variables to zero. ml = iwork1 mu = iwork2 ixpr = iwork5 mxstep = iwork6 mxhnil = iwork7 mxordn = iwork8 mxords = iwork9 tcrit = rwork1 h0 = rwork5 hmax = rwork6 hmin = rwork7 */ { int mxstp0 = 500, mxhnl0 = -1 /* 10 */; int i, iflag, lenyh; double atoli, ayi, big, hmax, hmx, rh, rtoli, tdist, tnext, tol, tolsf, tp, size, sum, w0; /* Block a. This code block is executed on every call. It tests *istate and itask for legality and branches appropriately. If *istate > 1 but the flag init shows that initialization has not yet been done, an error return occurs. If *istate = 1 and tout = t, return immediately. */ if (*istate < 1 || *istate > 3) { qDebug("lsoda -- illegal istate = %d", *istate); terminate(istate); return; } if (itask < 1 || itask > 5) { qDebug("lsoda -- illegal itask = %d", itask); terminate(istate); return; } if (init == 0 && (*istate == 2 || *istate == 3)) { qDebug("lsoda -- istate > 1 but lsoda not initialized"); terminate(istate); return; } if (*istate == 1) { init = 0; if (tout == *t) { ntrep++; if (ntrep < 5) return; qDebug("lsoda -- repeated calls with istate = 1 and tout = t"); qDebug(" run aborted.. apparent infinite loop"); return; } } /* Block b. The next code block is executed for the initial call ( *istate = 1 ), or for a continuation call with parameter changes ( *istate = 3 ). It contains checking of all inputs and various initializations. First check legality of the non-optional inputs neq, itol, iopt, jt, ml, and mu. */ double h0(0.0); if (*istate == 1 || *istate == 3) { ntrep = 0; if (neq <= 0) { qDebug("lsoda -- neq = %d is less than 1", neq); terminate(istate); return; } if (*istate == 3 && neq > n) { qDebug("lsoda -- istate = 3 and neq increased"); terminate(istate); return; } n = neq; if (itol < 1 || itol > 4) { qDebug("lsoda -- itol = %d illegal", itol); terminate(istate); return; } if (iopt < 0 || iopt > 1) { qDebug("lsoda -- iopt = %d illegal", iopt); terminate(istate); return; } if (jt == 3 || jt < 1 || jt > 5) { qDebug("lsoda -- jt = %d illegal", jt); terminate(istate); return; } jtyp = jt; if (jt > 2) { ml = iwork1; mu = iwork2; if (ml < 0 || ml >= n) { qDebug("lsoda -- ml = %d not between 1 and neq", ml); terminate(istate); return; } if (mu < 0 || mu >= n) { qDebug("lsoda -- mu = %d not between 1 and neq", mu); terminate(istate); return; } } /* Next process and check the optional inpus. */ /* Default options. */ if (iopt == 0) { ixpr = 0; mxstep = mxstp0; mxhnil = mxhnl0; hmxi = 0.; hmin = 0.; if (*istate == 1) { h0 = 0.; mxordn = mord[1]; mxords = mord[2]; } } /* end if ( iopt == 0 ) */ /* Optional inputs. */ else { /* if ( iopt = 1 ) */ ixpr = iwork5; if (ixpr < 0 || ixpr > 1) { qDebug("lsoda -- ixpr = %d is illegal", ixpr); terminate(istate); return; } mxstep = iwork6; if (mxstep < 0) { qDebug("lsoda -- mxstep < 0"); terminate(istate); return; } if (mxstep == 0) mxstep = mxstp0; mxhnil = iwork7; if (mxhnil < 0) { qDebug("lsoda -- mxhnil < 0"); terminate(istate); return; } if (*istate == 1) { h0 = rwork5; mxordn = iwork8; if (mxordn < 0) { qDebug("lsoda -- mxordn = %d is less than 0", mxordn); terminate(istate); return; } if (mxordn == 0) mxordn = 100; mxordn = min(mxordn, mord[1]); mxords = iwork9; if (mxords < 0) { qDebug("lsoda -- mxords = %d is less than 0", mxords); terminate(istate); return; } if (mxords == 0) mxords = 100; mxords = min(mxords, mord[2]); if ((tout - *t) * h0 < 0.) { qDebug("lsoda -- tout = %g behind t = %g", tout, *t); qDebug(" integration direction is given by %g", h0); terminate(istate); return; } } /* end if ( *istate == 1 ) */ hmax = rwork6; if (hmax < 0.) { qDebug("lsoda -- hmax < 0."); terminate(istate); return; } hmxi = 0.; if (hmax > 0) hmxi = 1. / hmax; hmin = rwork7; if (hmin < 0.) { qDebug("lsoda -- hmin < 0."); terminate(istate); return; } } /* end else */ /* end iopt = 1 */ } /* end if ( *istate == 1 || *istate == 3 ) */ /* If *istate = 1, meth is initialized to 1. Also allocate memory for yh, wm, ewt, savf, acor, ipvt. */ if (*istate == 1) { /* If memory were not freed, *istate = 3 need not reallocate memory. Hence this section is not executed by *istate = 3. */ sqrteta = sqrt(ETA); meth = 1; nyh = n; lenyh = 1 + max(mxordn, mxords); m_lenyh = lenyh; m_nyh = nyh; yh = (double**)malloc((1 + lenyh) * sizeof(*yh)); if (yh == nullptr) { qDebug("lsoda -- insufficient memory for your problem"); terminate(istate); return; } for (i = 1; i <= lenyh; i++) yh[i] = (double*)malloc((1 + nyh) * sizeof(double)); wm = (double**)malloc((1 + nyh) * sizeof(*wm)); if (wm == nullptr) { free(yh); qDebug("lsoda -- insufficient memory for your problem"); terminate(istate); return; } for (i = 1; i <= nyh; i++) wm[i] = (double*)malloc((1 + nyh) * sizeof(double)); ewt = (double*)malloc((1 + nyh) * sizeof(double)); if (ewt == nullptr) { free(yh); free(wm); qDebug("lsoda -- insufficient memory for your problem"); terminate(istate); return; } savf = (double*)malloc((1 + nyh) * sizeof(double)); if (savf == nullptr) { free(yh); free(wm); free(ewt); qDebug("lsoda -- insufficient memory for your problem"); terminate(istate); return; } acor = (double*)malloc((1 + nyh) * sizeof(double)); if (acor == nullptr) { free(yh); free(wm); free(ewt); free(savf); qDebug("lsoda -- insufficient memory for your problem"); terminate(istate); return; } ipvt = (int*)malloc((1 + nyh) * sizeof(int)); if (ipvt == nullptr) { free(yh); free(wm); free(ewt); free(savf); free(acor); qDebug("lsoda -- insufficient memory for your problem"); terminate(istate); return; } } /* Check rtol and atol for legality. */ if (*istate == 1 || *istate == 3) { rtoli = rtol[1]; atoli = atol[1]; for (i = 1; i <= n; i++) { if (itol >= 3) rtoli = rtol[i]; if (itol == 2 || itol == 4) atoli = atol[i]; if (rtoli < 0.) { qDebug("lsoda -- rtol = %g is less than 0.", rtoli); terminate(istate); freevectors(); return; } if (atoli < 0.) { qDebug("lsoda -- atol = %g is less than 0.", atoli); terminate(istate); freevectors(); return; } } /* end for */ } /* end if ( *istate == 1 || *istate == 3 ) */ /* If *istate = 3, set flag to signal parameter changes to stoda. */ if (*istate == 3) { jstart = -1; } /* Block c. The next block is for the initial call only ( *istate = 1 ). It contains all remaining initializations, the initial call to f, and the calculation of the initial step size. The error weights in ewt are inverted after being loaded. */ int tcrit(0); if (*istate == 1) { tn = *t; tsw = *t; maxord = mxordn; if (itask == 4 || itask == 5) { tcrit = rwork1; if ((tcrit - tout) * (tout - *t) < 0.) { qDebug("lsoda -- itask = 4 or 5 and tcrit behind tout"); terminate(istate); freevectors(); return; } if (h0 != 0. && (*t + h0 - tcrit) * h0 > 0.) h0 = tcrit - *t; } jstart = 0; nhnil = 0; nst = 0; nje = 0; nslast = 0; hu = 0.; nqu = 0; mused = 0; miter = 0; ccmax = 0.3; maxcor = 3; msbp = 20; mxncf = 10; /* Initial call to f. */ f(neq, *t, y, yh[2]); nfe = 1; /* Load the initial value vector in yh. */ yp1 = yh[1]; for (i = 1; i <= n; i++) yp1[i] = y[i]; /* Load and invert the ewt array. ( h is temporarily set to 1. ) */ nq = 1; h = 1.; ewset(itol, rtol, atol, y); for (i = 1; i <= n; i++) { if (ewt[i] <= 0.) { qDebug("lsoda -- ewt[%d] = %g <= 0.", i, ewt[i]); // ECB Comment out because wrong number of arguments. // terminate( y, yh, t, tn ); return; } ewt[i] = 1. / ewt[i]; } /* The coding below computes the step size, h0, to be attempted on the first step, unless the user has supplied a value for this. First check that tout - *t differs significantly from zero. A scalar tolerance quantity tol is computed, as max(rtol[i]) if this is positive, or max(atol[i]/fabs(y[i])) otherwise, adjusted so as to be between 100*ETA and 0.001. Then the computed value h0 is given by h0^(-2) = 1. / ( tol * w0^2 ) + tol * ( norm(f) )^2 where w0 = max( fabs(*t), fabs(tout) ), f = the initial value of the vector f(t,y), and norm() = the weighted vector norm used throughout, given by the vmnorm function routine, and weighted by the tolerances initially loaded into the ewt array. The sign of h0 is inferred from the initial values of tout and *t. fabs(h0) is made < fabs(tout-*t) in any case. */ if (h0 == 0.) { tdist = fabs(tout - *t); w0 = max(fabs(*t), fabs(tout)); if (tdist < 2. * ETA * w0) { qDebug("lsoda -- tout too close to t to start integration "); terminate(istate); freevectors(); return; } tol = rtol[1]; if (itol > 2) { for (i = 2; i <= n; i++) tol = max(tol, rtol[i]); } if (tol <= 0.) { atoli = atol[1]; for (i = 1; i <= n; i++) { if (itol == 2 || itol == 4) atoli = atol[i]; ayi = fabs(y[i]); if (ayi != 0.) tol = max(tol, atoli / ayi); } } tol = max(tol, 100. * ETA); tol = min(tol, 0.001); sum = vmnorm(n, yh[2], ewt); sum = 1. / (tol * w0 * w0) + tol * sum * sum; h0 = 1. / sqrt(sum); h0 = min(h0, tdist); h0 = h0 * ((tout - *t >= 0.) ? 1. : -1.); } /* end if ( h0 == 0. ) */ /* Adjust h0 if necessary to meet hmax bound. */ rh = fabs(h0) * hmxi; if (rh > 1.) h0 /= rh; /* Load h with h0 and scale yh[2] by h0. */ h = h0; yp1 = yh[2]; for (i = 1; i <= n; i++) yp1[i] *= h0; } /* if ( *istate == 1 ) */ /* Block d. The next code block is for continuation calls only ( *istate = 2 or 3 ) and is to check stop conditions before taking a step. */ int ihit(0); if (*istate == 2 || *istate == 3) { nslast = nst; switch (itask) { case 1: if ((tn - tout) * h >= 0.) { intdy(tout, 0, y, &iflag); if (iflag != 0) { qDebug("lsoda -- trouble from intdy, itask = %d, tout = %g", itask, tout); terminate(istate); freevectors(); return; } *t = tout; *istate = 2; illin = 0; freevectors(); return; } break; case 2: break; case 3: tp = tn - hu * (1. + 100. * ETA); if ((tp - tout) * h > 0.) { qDebug("lsoda -- itask = %d and tout behind tcur - hu", itask); terminate(istate); freevectors(); return; } if ((tn - tout) * h < 0.) break; successreturn(y, t, itask, ihit, tcrit, istate); return; case 4: tcrit = rwork1; if ((tn - tcrit) * h > 0.) { qDebug("lsoda -- itask = 4 or 5 and tcrit behind tcur"); terminate(istate); freevectors(); return; } if ((tcrit - tout) * h < 0.) { qDebug("lsoda -- itask = 4 or 5 and tcrit behind tout"); terminate(istate); freevectors(); return; } if ((tn - tout) * h >= 0.) { intdy(tout, 0, y, &iflag); if (iflag != 0) { qDebug("lsoda -- trouble from intdy, itask = %d, tout = %g", itask, tout); terminate(istate); freevectors(); return; } *t = tout; *istate = 2; illin = 0; freevectors(); return; } case 5: if (itask == 5) { tcrit = rwork1; if ((tn - tcrit) * h > 0.) { qDebug("lsoda -- itask = 4 or 5 and tcrit behind tcur"); terminate(istate); freevectors(); return; } } hmx = fabs(tn) + fabs(h); ihit = fabs(tn - tcrit) <= (100. * ETA * hmx); if (ihit) { *t = tcrit; successreturn(y, t, itask, ihit, tcrit, istate); return; } tnext = tn + h * (1. + 4. * ETA); if ((tnext - tcrit) * h <= 0.) break; h = (tcrit - tn) * (1. - 4. * ETA); if (*istate == 2) jstart = -2; break; } /* end switch */ } /* end if ( *istate == 2 || *istate == 3 ) */ /* Block e. The next block is normally executed for all calls and contains the call to the one-step core integrator stoda. This is a looping point for the integration steps. First check for too many steps being taken, update ewt ( if not at start of problem). Check for too much accuracy being requested, and check for h below the roundoff level in *t. */ while (true) { if (*istate != 1 || nst != 0) { if ((nst - nslast) >= mxstep) { // qDebug( "lsoda -- %d steps taken before reaching tout", // mxstep ); *istate = -1; terminate2(y, t); return; } ewset(itol, rtol, atol, yh[1]); for (i = 1; i <= n; i++) { if (ewt[i] <= 0.) { qDebug("lsoda -- ewt[%d] = %g <= 0.", i, ewt[i]); *istate = -6; terminate2(y, t); return; } ewt[i] = 1. / ewt[i]; } } tolsf = ETA * vmnorm(n, yh[1], ewt); if (tolsf > 0.01) { tolsf = tolsf * 200.; if (nst == 0) { qDebug("lsoda -- at start of problem, too much accuracy"); qDebug(" requested for precision of machine,"); qDebug(" suggested scaling factor = %g", tolsf); terminate(istate); freevectors(); return; } qDebug("lsoda -- at t = %g, too much accuracy requested", *t); qDebug(" for precision of machine, suggested"); qDebug(" scaling factor = %g", tolsf); *istate = -2; terminate2(y, t); return; } if ((tn + h) == tn) { nhnil++; if (nhnil <= mxhnil) { qDebug("lsoda -- warning..internal t = %g and h = %g are", tn, h); qDebug(" such that in the machine, t + h = t on the next step"); qDebug(" solver will continue anyway."); if (nhnil == mxhnil) { qDebug("lsoda -- above warning has been issued %d times,", nhnil); qDebug(" it will not be issued again for this problem"); } } } /* Call stoda */ stoda(neq, y); /* qDebug( "meth= %d, order= %d, nfe= %d, nje= %d", meth, nq, nfe, nje ); qDebug( "t= %20.15e, h= %20.15e, nst=%d", tn, h, nst ); qDebug( "y= %20.15e, %20.15e, %20.15e", yh[1][1], yh[1][2], yh[1][3] ); */ if (kflag == 0) { /* Block f. The following block handles the case of a successful return from the core integrator ( kflag = 0 ). If a method switch was just made, record tsw, reset maxord, set jstart to -1 to signal stoda to complete the switch, and do extra printing of data if ixpr = 1. Then, in any case, check for stop conditions. */ init = 1; if (meth != mused) { tsw = tn; maxord = mxordn; if (meth == 2) maxord = mxords; jstart = -1; if (ixpr) { if (meth == 2) qDebug() << "lsoda -- a switch to the stiff method has occurred"; if (meth == 1) qDebug() << "lsoda -- a switch to the nonstiff method has occurred"; qDebug() << " at t = " << tn << ", tentative step size h = " << h << ", step nst = " << nst; } } /* end if ( meth != mused ) */ /* itask = 1. If tout has been reached, interpolate. */ if (itask == 1) { if ((tn - tout) * h < 0.) continue; intdy(tout, 0, y, &iflag); *t = tout; *istate = 2; illin = 0; freevectors(); return; } /* itask = 2. */ if (itask == 2) { successreturn(y, t, itask, ihit, tcrit, istate); return; } /* itask = 3. Jump to exit if tout was reached. */ if (itask == 3) { if ((tn - tout) * h >= 0.) { successreturn(y, t, itask, ihit, tcrit, istate); return; } continue; } /* itask = 4. See if tout or tcrit was reached. Adjust h if necessary. */ if (itask == 4) { if ((tn - tout) * h >= 0.) { intdy(tout, 0, y, &iflag); *t = tout; *istate = 2; illin = 0; freevectors(); return; } else { hmx = fabs(tn) + fabs(h); ihit = fabs(tn - tcrit) <= (100. * ETA * hmx); if (ihit) { successreturn(y, t, itask, ihit, tcrit, istate); return; } tnext = tn + h * (1. + 4. * ETA); if ((tnext - tcrit) * h <= 0.) continue; h = (tcrit - tn) * (1. - 4. * ETA); jstart = -2; continue; } } /* end if ( itask == 4 ) */ /* itask = 5. See if tcrit was reached and jump to exit. */ if (itask == 5) { hmx = fabs(tn) + fabs(h); ihit = fabs(tn - tcrit) <= (100. * ETA * hmx); successreturn(y, t, itask, ihit, tcrit, istate); return; } } /* end if ( kflag == 0 ) */ /* kflag = -1, error test failed repeatedly or with fabs(h) = hmin. kflag = -2, convergence failed repeatedly or with fabs(h) = hmin. */ if (kflag == -1 || kflag == -2) { qDebug("lsoda -- at t = %g and step size h = %g, the", tn, h); if (kflag == -1) { qDebug(" error test failed repeatedly or"); qDebug(" with fabs(h) = hmin"); *istate = -4; } if (kflag == -2) { qDebug(" corrector convergence failed repeatedly or"); qDebug(" with fabs(h) = hmin"); *istate = -5; } big = 0.; imxer = 1; for (i = 1; i <= n; i++) { size = fabs(acor[i]) * ewt[i]; if (big < size) { big = size; imxer = i; } } terminate2(y, t); return; } /* end if ( kflag == -1 || kflag == -2 ) */ } /* end while */ } /* end lsoda */ void QTAIMLSODAIntegrator::stoda(int neq, double* y) { int corflag, orderflag; int i, i1, j, m, ncf; double del, delp, dup, exup, r, rh, rhup, told; double pdh, pnorm; /* stoda performs one step of the integration of an initial value problem for a system of ordinary differential equations. Note.. stoda is independent of the value of the iteration method indicator miter, when this is != 0, and hence is independent of the type of chord method used, or the Jacobian structure. Communication with stoda is done with the following variables: jstart = an integer used for input only, with the following values and meanings: 0 perform the first step, > 0 take a new step continuing from the last, -1 take the next step with a new value of h, n, meth, miter, and/or matrix parameters. -2 take the next step with a new value of h, but with other inputs unchanged. kflag = a completion code with the following meanings: 0 the step was successful, -1 the requested error could not be achieved, -2 corrector convergence could not be achieved, -3 fatal error in prja or solsy. miter = corrector iteration method: 0 functional iteration, >0 a chord method corresponding to jacobian type jt. */ kflag = 0; told = tn; ncf = 0; ierpj = 0; iersl = 0; jcur = 0; delp = 0.; /* On the first call, the order is set to 1, and other variables are initialized. rmax is the maximum ratio by which h can be increased in a single step. It is initially 1.e4 to compensate for the small initial h, but then is normally equal to 10. If a filure occurs (in corrector convergence or error test), rmax is set at 2 for the next increase. cfode is called to get the needed coefficients for both methods. */ if (jstart == 0) { lmax = maxord + 1; nq = 1; l = 2; ialth = 2; rmax = 10000.; rc = 0.; el0 = 1.; crate = 0.7; hold = h; nslp = 0; ipup = miter; /* Initialize switching parameters. meth = 1 is assumed initially. */ icount = 20; irflag = 0; pdest = 0.; pdlast = 0.; ratio = 5.; cfode(2); for (i = 1; i <= 5; i++) cm2[i] = tesco[i][2] * elco[i][i + 1]; cfode(1); for (i = 1; i <= 12; i++) cm1[i] = tesco[i][2] * elco[i][i + 1]; resetcoeff(); } /* end if ( jstart == 0 ) */ /* The following block handles preliminaries needed when jstart = -1. ipup is set to miter to force a matrix update. If an order increase is about to be considered ( ialth = 1 ), ialth is reset to 2 to postpone consideration one more step. If the caller has changed meth, cfode is called to reset the coefficients of the method. If h is to be changed, yh must be rescaled. If h or meth is being changed, ialth is reset to l = nq + 1 to prevent further changes in h for that many steps. */ if (jstart == -1) { ipup = miter; lmax = maxord + 1; if (ialth == 1) ialth = 2; if (meth != mused) { cfode(meth); ialth = l; resetcoeff(); } if (h != hold) { rh = h / hold; h = hold; scaleh(&rh, &pdh); } } /* if ( jstart == -1 ) */ if (jstart == -2) { if (h != hold) { rh = h / hold; h = hold; scaleh(&rh, &pdh); } } /* if ( jstart == -2 ) */ /* Prediction. This section computes the predicted values by effectively multiplying the yh array by the pascal triangle matrix. rc is the ratio of new to old values of the coefficient h * el[1]. When rc differs from 1 by more than ccmax, ipup is set to miter to force pjac to be called, if a jacobian is involved. In any case, prja is called at least every msbp steps. */ while (true) { while (true) { if (fabs(rc - 1.) > ccmax) ipup = miter; if (nst >= nslp + msbp) ipup = miter; tn += h; for (j = nq; j >= 1; j--) for (i1 = j; i1 <= nq; i1++) { yp1 = yh[i1]; yp2 = yh[i1 + 1]; for (i = 1; i <= n; i++) yp1[i] += yp2[i]; } pnorm = vmnorm(n, yh[1], ewt); correction(neq, y, &corflag, pnorm, &del, &delp, &told, &ncf, &rh, &m); if (corflag == 0) break; if (corflag == 1) { rh = max(rh, hmin / fabs(h)); scaleh(&rh, &pdh); continue; } if (corflag == 2) { kflag = -2; hold = h; jstart = 1; return; } } /* end inner while ( corrector loop ) */ /* The corrector has converged. jcur is set to 0 to signal that the Jacobian involved may need updating later. The local error test is done now. */ jcur = 0; double dsm(0.0); if (m == 0) dsm = del / tesco[nq][2]; if (m > 0) dsm = vmnorm(n, acor, ewt) / tesco[nq][2]; if (dsm <= 1.) { /* After a successful step, update the yh array. Decrease icount by 1, and if it is -1, consider switching methods. If a method switch is made, reset various parameters, rescale the yh array, and exit. If there is no switch, consider changing h if ialth = 1. Otherwise decrease ialth by 1. If ialth is then 1 and nq < maxord, then acor is saved for use in a possible order increase on the next step. If a change in h is considered, an increase or decrease in order by one is considered also. A change in h is made only if it is by a factor of at least 1.1. If not, ialth is set to 3 to prevent testing for that many steps. */ kflag = 0; nst++; hu = h; nqu = nq; mused = meth; for (j = 1; j <= l; j++) { yp1 = yh[j]; r = el[j]; for (i = 1; i <= n; i++) yp1[i] += r * acor[i]; } icount--; if (icount < 0) { methodswitch(dsm, pnorm, &pdh, &rh); if (meth != mused) { rh = max(rh, hmin / fabs(h)); scaleh(&rh, &pdh); rmax = 10.; endstoda(); break; } } /* No method switch is being made. Do the usual step/order selection. */ ialth--; if (ialth == 0) { rhup = 0.; if (l != lmax) { yp1 = yh[lmax]; for (i = 1; i <= n; i++) savf[i] = acor[i] - yp1[i]; dup = vmnorm(n, savf, ewt) / tesco[nq][3]; exup = 1. / (double)(l + 1); rhup = 1. / (1.4 * pow(dup, exup) + 0.0000014); } orderswitch(&rhup, dsm, &pdh, &rh, &orderflag); /* No change in h or nq. */ if (orderflag == 0) { endstoda(); break; } /* h is changed, but not nq. */ if (orderflag == 1) { rh = max(rh, hmin / fabs(h)); scaleh(&rh, &pdh); rmax = 10.; endstoda(); break; } /* both nq and h are changed. */ if (orderflag == 2) { resetcoeff(); rh = max(rh, hmin / fabs(h)); scaleh(&rh, &pdh); rmax = 10.; endstoda(); break; } } /* end if ( ialth == 0 ) */ if (ialth > 1 || l == lmax) { endstoda(); break; } yp1 = yh[lmax]; for (i = 1; i <= n; i++) yp1[i] = acor[i]; endstoda(); break; } /* end if ( dsm <= 1. ) */ /* The error test failed. kflag keeps track of multiple failures. Restore tn and the yh array to their previous values, and prepare to try the step again. Compute the optimum step size for this or one lower. After 2 or more failures, h is forced to decrease by a factor of 0.2 or less. */ else { kflag--; tn = told; for (j = nq; j >= 1; j--) for (i1 = j; i1 <= nq; i1++) { yp1 = yh[i1]; yp2 = yh[i1 + 1]; for (i = 1; i <= n; i++) yp1[i] -= yp2[i]; } rmax = 2.; if (fabs(h) <= hmin * 1.00001) { kflag = -1; hold = h; jstart = 1; break; } if (kflag > -3) { rhup = 0.; orderswitch(&rhup, dsm, &pdh, &rh, &orderflag); if (orderflag == 1 || orderflag == 0) { if (orderflag == 0) rh = min(rh, 0.2); rh = max(rh, hmin / fabs(h)); scaleh(&rh, &pdh); } if (orderflag == 2) { resetcoeff(); rh = max(rh, hmin / fabs(h)); scaleh(&rh, &pdh); } continue; } /* if ( kflag > -3 ) */ /* Control reaches this section if 3 or more failures have occurred. If 10 failures have occurred, exit with kflag = -1. It is assumed that the derivatives that have accumulated in the yh array have errors of the wrong order. Hence the first derivative is recomputed, and the order is set to 1. Then h is reduced by a factor of 10, and the step is retried, until it succeeds or h reaches hmin. */ else { if (kflag == -10) { kflag = -1; hold = h; jstart = 1; break; } else { rh = 0.1; rh = max(hmin / fabs(h), rh); h *= rh; yp1 = yh[1]; for (i = 1; i <= n; i++) y[i] = yp1[i]; f(neq, tn, y, savf); nfe++; yp1 = yh[2]; for (i = 1; i <= n; i++) yp1[i] = h * savf[i]; ipup = miter; ialth = 5; if (nq == 1) continue; nq = 1; l = 2; resetcoeff(); continue; } } /* end else -- kflag <= -3 */ } /* end error failure handling */ } /* end outer while */ } /* end stoda */ void QTAIMLSODAIntegrator::ewset(int itol, double* rtol, double* atol, double* ycur) { int i; switch (itol) { case 1: for (i = 1; i <= n; i++) ewt[i] = rtol[1] * fabs(ycur[i]) + atol[1]; break; case 2: for (i = 1; i <= n; i++) ewt[i] = rtol[1] * fabs(ycur[i]) + atol[i]; break; case 3: for (i = 1; i <= n; i++) ewt[i] = rtol[i] * fabs(ycur[i]) + atol[1]; break; case 4: for (i = 1; i <= n; i++) ewt[i] = rtol[i] * fabs(ycur[i]) + atol[i]; break; } } /* end ewset */ void QTAIMLSODAIntegrator::intdy(double t, int k, double* dky, int* iflag) /* Intdy computes interpolated values of the k-th derivative of the dependent variable vector y, and stores it in dky. This routine is called within the package with k = 0 and *t = tout, but may also be called by the user for any k up to the current order. ( See detailed instructions in the usage documentation. ) The computed values in dky are gotten by interpolation using the Nordsieck history array yh. This array corresponds uniquely to a vector-valued polynomial of degree nqcur or less, and dky is set to the k-th derivative of this polynomial at t. The formula for dky is q dky[i] = sum c[k][j] * ( t - tn )^(j-k) * h^(-j) * yh[j+1][i] j=k where c[k][j] = j*(j-1)*...*(j-k+1), q = nqcur, tn = tcur, h = hcur. The quantities nq = nqcur, l = nq+1, n = neq, tn, and h are declared static globally. The above sum is done in reverse order. *iflag is returned negative if either k or t is out of bounds. */ { int i, ic, j, jj, jp1; double c, r, s, tp; *iflag = 0; if (k < 0 || k > nq) { qDebug("intdy -- k = %d illegal", k); *iflag = -1; return; } tp = tn - hu - 100. * ETA * (tn + hu); if ((t - tp) * (t - tn) > 0.) { qDebug("intdy -- t = %g illegal", t); qDebug(" t not in interval tcur - hu to tcur"); *iflag = -2; return; } s = (t - tn) / h; ic = 1; for (jj = l - k; jj <= nq; jj++) ic *= jj; c = (double)ic; yp1 = yh[l]; for (i = 1; i <= n; i++) dky[i] = c * yp1[i]; for (j = nq - 1; j >= k; j--) { jp1 = j + 1; ic = 1; for (jj = jp1 - k; jj <= j; jj++) ic *= jj; c = (double)ic; yp1 = yh[jp1]; for (i = 1; i <= n; i++) dky[i] = c * yp1[i] + s * dky[i]; } if (k == 0) return; r = pow(h, (double)(-k)); for (i = 1; i <= n; i++) dky[i] *= r; } /* end intdy */ void QTAIMLSODAIntegrator::cfode(int meth_) { int i, nq_, nqm1, nqp1; double agamq, fnq, fnqm1, pc[13], pint, ragq, rqfac, rq1fac, tsign, xpin; /* cfode is called by the integrator routine to set coefficients needed there. The coefficients for the current method, as given by the value of meth, are set for all orders and saved. The maximum order assumed here is 12 if meth = 1 and 5 if meth = 2. ( A smaller value of the maximum order is also allowed. ) cfode is called once at the beginning of the problem, and is not called again unless and until meth is changed. The elco array contains the basic method coefficients. The coefficients el[i], 1 < i < nq+1, for the method of order nq are stored in elco[nq][i]. They are given by a generating polynomial, i.e., l(x) = el[1] + el[2]*x + ... + el[nq+1]*x^nq. For the implicit Adams method, l(x) is given by dl/dx = (x+1)*(x+2)*...*(x+nq-1)/factorial(nq-1), l(-1) = 0. For the bdf methods, l(x) is given by l(x) = (x+1)*(x+2)*...*(x+nq)/k, where k = factorial(nq)*(1+1/2+...+1/nq). The tesco array contains test constants used for the local error test and the selection of step size and/or order. At order nq, tesco[nq][k] is used for the selection of step size at order nq-1 if k = 1, at order nq if k = 2, and at order nq+1 if k = 3. */ if (meth_ == 1) { elco[1][1] = 1.; elco[1][2] = 1.; tesco[1][1] = 0.; tesco[1][2] = 2.; tesco[2][1] = 1.; tesco[12][3] = 0.; pc[1] = 1.; rqfac = 1.; for (nq_ = 2; nq_ <= 12; nq_++) { /* The pc array will contain the coefficients of the polynomial p(x) = (x+1)*(x+2)*...*(x+nq-1). Initially, p(x) = 1. */ rq1fac = rqfac; rqfac = rqfac / (double)nq_; nqm1 = nq_ - 1; fnqm1 = (double)nqm1; nqp1 = nq_ + 1; /* Form coefficients of p(x)*(x+nq-1). */ pc[nq_] = 0.; for (i = nq_; i >= 2; i--) pc[i] = pc[i - 1] + fnqm1 * pc[i]; pc[1] = fnqm1 * pc[1]; /* Compute integral, -1 to 0, of p(x) and x*p(x). */ pint = pc[1]; xpin = pc[1] / 2.; tsign = 1.; for (i = 2; i <= nq_; i++) { tsign = -tsign; pint += tsign * pc[i] / (double)i; xpin += tsign * pc[i] / (double)(i + 1); } /* Store coefficients in elco and tesco. */ elco[nq_][1] = pint * rq1fac; elco[nq_][2] = 1.; for (i = 2; i <= nq_; i++) elco[nq_][i + 1] = rq1fac * pc[i] / (double)i; agamq = rqfac * xpin; ragq = 1. / agamq; tesco[nq_][2] = ragq; if (nq_ < 12) tesco[nqp1][1] = ragq * rqfac / (double)nqp1; tesco[nqm1][3] = ragq; } /* end for */ return; } /* end if ( meth == 1 ) */ /* meth = 2. */ pc[1] = 1.; rq1fac = 1.; /* The pc array will contain the coefficients of the polynomial p(x) = (x+1)*(x+2)*...*(x+nq). Initially, p(x) = 1. */ for (nq_ = 1; nq_ <= 5; nq_++) { fnq = (double)nq_; nqp1 = nq_ + 1; /* Form coefficients of p(x)*(x+nq). */ pc[nqp1] = 0.; for (i = nq_ + 1; i >= 2; i--) pc[i] = pc[i - 1] + fnq * pc[i]; pc[1] *= fnq; /* Store coefficients in elco and tesco. */ for (i = 1; i <= nqp1; i++) elco[nq_][i] = pc[i] / pc[2]; elco[nq_][2] = 1.; tesco[nq_][1] = rq1fac; tesco[nq_][2] = ((double)nqp1) / elco[nq_][1]; tesco[nq_][3] = ((double)(nq_ + 2)) / elco[nq_][1]; rq1fac /= fnq; } } /* end cfode */ void QTAIMLSODAIntegrator::scaleh(double* rh, double* pdh) { double r; int j, i; /* If h is being changed, the h ratio rh is checked against rmax, hmin, and hmxi, and the yh array is rescaled. ialth is set to l = nq + 1 to prevent a change of h for that many steps, unless forced by a convergence or error test failure. */ *rh = min(*rh, rmax); *rh = *rh / max(1., fabs(h) * hmxi * *rh); /* If meth = 1, also restrict the new step size by the stability region. If this reduces h, set irflag to 1 so that if there are roundoff problems later, we can assume that is the cause of the trouble. */ if (meth == 1) { irflag = 0; *pdh = max(fabs(h) * pdlast, 0.000001); if ((*rh * *pdh * 1.00001) >= sm1[nq]) { *rh = sm1[nq] / *pdh; irflag = 1; } } r = 1.; for (j = 2; j <= l; j++) { r *= *rh; yp1 = yh[j]; for (i = 1; i <= n; i++) yp1[i] *= r; } h *= *rh; rc *= *rh; ialth = l; } /* end scaleh */ void QTAIMLSODAIntegrator::prja(int neq, double* y) { int i, ier, j; double fac, hl0, r, r0, yj; /* prja is called by stoda to compute and process the matrix P = I - h * el[1] * J, where J is an approximation to the Jacobian. Here J is computed by finite differencing. J, scaled by -h * el[1], is stored in wm. Then the norm of J ( the matrix norm consistent with the weighted max-norm on vectors given by vmnorm ) is computed, and J is overwritten by P. P is then subjected to LU decomposition in preparation for later solution of linear systems with p as coefficient matrix. This is done by dgefa if miter = 2, and by dgbfa if miter = 5. */ nje++; ierpj = 0; jcur = 1; hl0 = h * el0; /* If miter = 2, make n calls to f to approximate J. */ if (miter != 2) { qDebug("prja -- miter != 2"); return; } if (miter == 2) { fac = vmnorm(n, savf, ewt); r0 = 1000. * fabs(h) * ETA * ((double)n) * fac; if (r0 == 0.) r0 = 1.; for (j = 1; j <= n; j++) { yj = y[j]; r = max(sqrteta * fabs(yj), r0 / ewt[j]); y[j] += r; fac = -hl0 / r; f(neq, tn, y, acor); for (i = 1; i <= n; i++) wm[i][j] = (acor[i] - savf[i]) * fac; y[j] = yj; } nfe += n; /* Compute norm of Jacobian. */ pdnorm = fnorm(n, wm, ewt) / fabs(hl0); /* Add identity matrix. */ for (i = 1; i <= n; i++) wm[i][i] += 1.; /* Do LU decomposition on P. */ dgefa(wm, n, ipvt, &ier); if (ier != 0) ierpj = 1; return; } } /* end prja */ double QTAIMLSODAIntegrator::vmnorm(int n_, double* v, double* w) /* This function routine computes the weighted max-norm of the vector of length n contained in the array v, with weights contained in the array w of length n. vmnorm = max( i = 1, ..., n ) fabs( v[i] ) * w[i]. */ { int i; double vm; vm = 0.; for (i = 1; i <= n_; i++) vm = max(vm, fabs(v[i]) * w[i]); return vm; } /* end vmnorm */ double QTAIMLSODAIntegrator::fnorm(int n_, double** a, double* w) /* This subroutine computes the norm of a full n by n matrix, stored in the array a, that is consistent with the weighted max-norm on vectors, with weights stored in the array w. fnorm = max(i=1,...,n) ( w[i] * sum(j=1,...,n) fabs( a[i][j] ) / w[j] ) */ { int i, j; double an, sum, *ap1; an = 0.; for (i = 1; i <= n_; i++) { sum = 0.; ap1 = a[i]; for (j = 1; j <= n_; j++) sum += fabs(ap1[j]) / w[j]; an = max(an, sum * w[i]); } return an; } /* end fnorm */ // double QTAIMLSODAIntegrator::bnorm() // { // } /* end bnorm */ void QTAIMLSODAIntegrator::correction(int neq, double* y, int* corflag, double pnorm, double* del, double* delp, double* told, int* ncf, double* rh, int* m) /* *corflag = 0 : corrector converged, 1 : step size to be reduced, redo prediction, 2 : corrector cannot converge, failure flag. */ { int i; double rm, rate, dcon; /* Up to maxcor corrector iterations are taken. A convergence test is made on the r.m.s. norm of each correction, weighted by the error weight vector ewt. The sum of the corrections is accumulated in the vector acor[i]. The yh array is not altered in the corrector loop. */ *m = 0; *corflag = 0; rate = 0.; *del = 0.; yp1 = yh[1]; for (i = 1; i <= n; i++) y[i] = yp1[i]; f(neq, tn, y, savf); nfe++; /* If indicated, the matrix P = I - h * el[1] * J is reevaluated and preprocessed before starting the corrector iteration. ipup is set to 0 as an indicator that this has been done. */ while (true) { if (*m == 0) { if (ipup > 0) { prja(neq, y); ipup = 0; rc = 1.; nslp = nst; crate = 0.7; if (ierpj != 0) { corfailure(told, rh, ncf, corflag); return; } } for (i = 1; i <= n; i++) acor[i] = 0.; } /* end if ( *m == 0 ) */ if (miter == 0) { /* In case of functional iteration, update y directly from the result of the last function evaluation. */ yp1 = yh[2]; for (i = 1; i <= n; i++) { savf[i] = h * savf[i] - yp1[i]; y[i] = savf[i] - acor[i]; } *del = vmnorm(n, y, ewt); yp1 = yh[1]; for (i = 1; i <= n; i++) { y[i] = yp1[i] + el[1] * savf[i]; acor[i] = savf[i]; } } /* end functional iteration */ /* In the case of the chord method, compute the corrector error, and solve the linear system with that as right-hand side and P as coefficient matrix. */ else { yp1 = yh[2]; for (i = 1; i <= n; i++) y[i] = h * savf[i] - (yp1[i] + acor[i]); solsy(y); *del = vmnorm(n, y, ewt); yp1 = yh[1]; for (i = 1; i <= n; i++) { acor[i] += y[i]; y[i] = yp1[i] + el[1] * acor[i]; } } /* end chord method */ /* Test for convergence. If *m > 0, an estimate of the convergence rate constant is stored in crate, and this is used in the test. We first check for a change of iterates that is the size of roundoff error. If this occurs, the iteration has converged, and a new rate estimate is not formed. In all other cases, force at least two iterations to estimate a local Lipschitz constant estimate for Adams method. On convergence, form pdest = local maximum Lipschitz constant estimate. pdlast is the most recent nonzero estimate. */ if (*del <= 100. * pnorm * ETA) break; if (*m != 0 || meth != 1) { if (*m != 0) { rm = 1024.0; if (*del <= (1024. * *delp)) rm = *del / *delp; rate = max(rate, rm); crate = max(0.2 * crate, rm); } dcon = *del * min(1., 1.5 * crate) / (tesco[nq][2] * conit); if (dcon <= 1.) { pdest = max(pdest, rate / fabs(h * el[1])); if (pdest != 0.) pdlast = pdest; break; } } /* The corrector iteration failed to converge. If miter != 0 and the Jacobian is out of date, prja is called for the next try. Otherwise the yh array is retracted to its values before prediction, and h is reduced, if possible. If h cannot be reduced or mxncf failures have occurred, exit with corflag = 2. */ (*m)++; if (*m == maxcor || (*m >= 2 && *del > 2. * *delp)) { if (miter == 0 || jcur == 1) { corfailure(told, rh, ncf, corflag); return; } ipup = miter; /* Restart corrector if Jacobian is recomputed. */ *m = 0; rate = 0.; *del = 0.; yp1 = yh[1]; for (i = 1; i <= n; i++) y[i] = yp1[i]; f(neq, tn, y, savf); nfe++; } /* Iterate corrector. */ else { *delp = *del; f(neq, tn, y, savf); nfe++; } } /* end while */ } /* end correction */ void QTAIMLSODAIntegrator::corfailure(double* told, double* rh, int* ncf, int* corflag) { int j, i1, i; (*ncf)++; rmax = 2.; tn = *told; for (j = nq; j >= 1; j--) for (i1 = j; i1 <= nq; i1++) { yp1 = yh[i1]; yp2 = yh[i1 + 1]; for (i = 1; i <= n; i++) yp1[i] -= yp2[i]; } if (fabs(h) <= hmin * 1.00001 || *ncf == mxncf) { *corflag = 2; return; } *corflag = 1; *rh = 0.25; ipup = miter; } /* end corfailure */ void QTAIMLSODAIntegrator::solsy(double* y) /* This routine manages the solution of the linear system arising from a chord iteration. It is called if miter != 0. If miter is 2, it calls dgesl to accomplish this. If miter is 5, it calls dgbsl. y = the right-hand side vector on input, and the solution vector on output. */ { iersl = 0; if (miter != 2) { qDebug("solsy -- miter != 2"); return; } if (miter == 2) dgesl(wm, n, ipvt, y, 0); } /* end solsy */ void QTAIMLSODAIntegrator::methodswitch(double dsm, double pnorm, double* pdh, double* rh) { int lm1, lm1p1, lm2, lm2p1, nqm1, nqm2; double rh1, rh2, rh1it, exm2, dm2, exm1, dm1, alpha, exsm; /* We are current using an Adams method. Consider switching to bdf. If the current order is greater than 5, assume the problem is not stiff, and skip this section. If the Lipschitz constant and error estimate are not polluted by roundoff, perform the usual test. Otherwise, switch to the bdf methods if the last step was restricted to insure stability ( irflag = 1 ), and stay with Adams method if not. When switching to bdf with polluted error estimates, in the absence of other information, double the step size. When the estimates are ok, we make the usual test by computing the step size we could have (ideally) used on this step, with the current (Adams) method, and also that for the bdf. If nq > mxords, we consider changing to order mxords on switching. Compare the two step sizes to decide whether to switch. The step size advantage must be at least ratio = 5 to switch. */ if (meth == 1) { if (nq > 5) return; if (dsm <= (100. * pnorm * ETA) || pdest == 0.) { if (irflag == 0) return; rh2 = 2.; nqm2 = min(nq, mxords); } else { exsm = 1. / (double)l; rh1 = 1. / (1.2 * pow(dsm, exsm) + 0.0000012); rh1it = 2. * rh1; *pdh = pdlast * fabs(h); if ((*pdh * rh1) > 0.00001) rh1it = sm1[nq] / *pdh; rh1 = min(rh1, rh1it); if (nq > mxords) { nqm2 = mxords; lm2 = mxords + 1; exm2 = 1. / (double)lm2; lm2p1 = lm2 + 1; dm2 = vmnorm(n, yh[lm2p1], ewt) / cm2[mxords]; rh2 = 1. / (1.2 * pow(dm2, exm2) + 0.0000012); } else { dm2 = dsm * (cm1[nq] / cm2[nq]); rh2 = 1. / (1.2 * pow(dm2, exsm) + 0.0000012); nqm2 = nq; } if (rh2 < ratio * rh1) return; } /* The method switch test passed. Reset relevant quantities for bdf. */ *rh = rh2; icount = 20; meth = 2; miter = jtyp; pdlast = 0.; nq = nqm2; l = nq + 1; return; } /* end if ( meth == 1 ) */ /* We are currently using a bdf method, considering switching to Adams. Compute the step size we could have (ideally) used on this step, with the current (bdf) method, and also that for the Adams. If nq > mxordn, we consider changing to order mxordn on switching. Compare the two step sizes to decide whether to switch. The step size advantage must be at least 5/ratio = 1 to switch. If the step size for Adams would be so small as to cause roundoff pollution, we stay with bdf. */ exsm = 1. / (double)l; if (mxordn < nq) { nqm1 = mxordn; lm1 = mxordn + 1; exm1 = 1. / (double)lm1; lm1p1 = lm1 + 1; dm1 = vmnorm(n, yh[lm1p1], ewt) / cm1[mxordn]; rh1 = 1. / (1.2 * pow(dm1, exm1) + 0.0000012); } else { dm1 = dsm * (cm2[nq] / cm1[nq]); rh1 = 1. / (1.2 * pow(dm1, exsm) + 0.0000012); nqm1 = nq; exm1 = exsm; } rh1it = 2. * rh1; *pdh = pdnorm * fabs(h); if ((*pdh * rh1) > 0.00001) rh1it = sm1[nqm1] / *pdh; rh1 = min(rh1, rh1it); rh2 = 1. / (1.2 * pow(dsm, exsm) + 0.0000012); if ((rh1 * ratio) < (5. * rh2)) return; alpha = max(0.001, rh1); dm1 *= pow(alpha, exm1); if (dm1 <= 1000. * ETA * pnorm) return; /* The switch test passed. Reset relevant quantities for Adams. */ *rh = rh1; icount = 20; meth = 1; miter = 0; pdlast = 0.; nq = nqm1; l = nq + 1; } /* end methodswitch */ /* This routine returns from stoda to lsoda. Hence freevectors() is not executed. */ void QTAIMLSODAIntegrator::endstoda() { double r; int i; r = 1. / tesco[nqu][2]; for (i = 1; i <= n; i++) acor[i] *= r; hold = h; jstart = 1; } /* end endstoda */ void QTAIMLSODAIntegrator::orderswitch(double* rhup, double dsm, double* pdh, double* rh, int* orderflag) /* Regardless of the success or failure of the step, factors rhdn, rhsm, and rhup are computed, by which h could be multiplied at order nq - 1, order nq, or order nq + 1, respectively. In the case of a failure, rhup = 0. to avoid an order increase. The largest of these is determined and the new order chosen accordingly. If the order is to be increased, we compute one additional scaled derivative. orderflag = 0 : no change in h or nq, 1 : change in h but not nq, 2 : change in both h and nq. */ { int newq, i; double exsm, rhdn, rhsm, ddn, exdn, r; *orderflag = 0; exsm = 1. / (double)l; rhsm = 1. / (1.2 * pow(dsm, exsm) + 0.0000012); rhdn = 0.; if (nq != 1) { ddn = vmnorm(n, yh[l], ewt) / tesco[nq][1]; exdn = 1. / (double)nq; rhdn = 1. / (1.3 * pow(ddn, exdn) + 0.0000013); } /* If meth = 1, limit rh according to the stability region also. */ if (meth == 1) { *pdh = max(fabs(h) * pdlast, 0.000001); if (l < lmax) *rhup = min(*rhup, sm1[l] / *pdh); rhsm = min(rhsm, sm1[nq] / *pdh); if (nq > 1) rhdn = min(rhdn, sm1[nq - 1] / *pdh); pdest = 0.; } if (rhsm >= *rhup) { if (rhsm >= rhdn) { newq = nq; *rh = rhsm; } else { newq = nq - 1; *rh = rhdn; if (kflag < 0 && *rh > 1.) *rh = 1.; } } else { if (*rhup <= rhdn) { newq = nq - 1; *rh = rhdn; if (kflag < 0 && *rh > 1.) *rh = 1.; } else { *rh = *rhup; if (*rh >= 1.1) { r = el[l] / (double)l; nq = l; l = nq + 1; yp1 = yh[l]; for (i = 1; i <= n; i++) yp1[i] = acor[i] * r; *orderflag = 2; return; } else { ialth = 3; return; } } } /* If meth = 1 and h is restricted by stability, bypass 10 percent test. */ if (meth == 1) { if ((*rh * *pdh * 1.00001) < sm1[newq]) if (kflag == 0 && *rh < 1.1) { ialth = 3; return; } } else { if (kflag == 0 && *rh < 1.1) { ialth = 3; return; } } if (kflag <= -2) *rh = min(*rh, 0.2); /* If there is a change of order, reset nq, l, and the coefficients. In any case h is reset according to rh and the yh array is rescaled. Then exit or redo the step. */ if (newq == nq) { *orderflag = 1; return; } nq = newq; l = nq + 1; *orderflag = 2; } /* end orderswitch */ void QTAIMLSODAIntegrator::resetcoeff() /* The el vector and related constants are reset whenever the order nq is changed, or at the start of the problem. */ { int i; double* ep1; ep1 = elco[nq]; for (i = 1; i <= l; i++) el[i] = ep1[i]; rc = rc * el[1] / el0; el0 = el[1]; conit = 0.5 / (double)(nq + 2); } /* end resetcoeff */ void QTAIMLSODAIntegrator::freevectors() { int i; for (i = 1; i <= m_lenyh; ++i) { free(yh[i]); } free(yh); for (i = 1; i <= m_nyh; ++i) { free(wm[i]); } free(wm); free(ewt); free(savf); free(acor); free(ipvt); } /* end freevectors */ } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/qtaimlsodaintegrator.h000066400000000000000000000113711474375334400257170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #ifndef QTAIMLSODAINTEGRATOR_H #define QTAIMLSODAINTEGRATOR_H #include "qtaimwavefunctionevaluator.h" #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { class QTAIMLSODAIntegrator { public: enum { SteepestAscentPathInElectronDensity = 0, CMBPMinusThreeGradientInElectronDensity = 1, CMBPMinusOneGradientInElectronDensity = 2, CMBPPlusOneGradientInElectronDensity = 3, CMBPPlusThreeGradientInElectronDensity = 4, CMBPMinusThreeGradientInElectronDensityLaplacian = 5, CMBPMinusOneGradientInElectronDensityLaplacian = 6, CMBPPlusOneGradientInElectronDensityLaplacian = 7, CMBPPlusThreeGradientInElectronDensityLaplacian = 8 }; explicit QTAIMLSODAIntegrator(QTAIMWavefunctionEvaluator& eval, const qint64 mode); QVector3D integrate(QVector3D x0y0z0); qint64 status() const { return m_status; } const QList path() const { return m_path; } void setBetaSpheres(QList> betaSpheres) { m_betaSpheres = betaSpheres; } qint64 associatedSphere() const { return m_associatedSphere; } private: QTAIMWavefunctionEvaluator* m_eval; qint64 m_mode; qint64 m_status; QList m_path; QList> m_betaSpheres; qint64 m_associatedSphere; // LSODA integrator void f(int neq, double t, double* y, double* ydot); void daxpy(int n, double da, double* dx, int incx, double* dy, int incy); double ddot(int n, double* dx, int incx, double* dy, int incy); void dgefa(double** a, int n, int* ipvt, int* info); void dgesl(double** a, int n, int* ipvt, double* b, int job); void dscal(int n, double da, double* dx, int incx); int idamax(int n, double* dx, int incx); void terminate(int* istate); void terminate2(double* y, double* t); void successreturn(double* y, double* t, int itask, int ihit, double tcrit, int* istate); void lsoda(int neq, double* y, double* t, double tout, int itol, double* rtol, double* atol, int itask, int* istate, int iopt, int jt, int iwork1, int iwork2, int iwork5, int iwork6, int iwork7, int iwork8, int iwork9, double rwork1, double rwork5, double rwork6, double rwork7); void stoda(int neq, double* y); void ewset(int itol, double* rtol, double* atol, double* ycur); void intdy(double t, int k, double* dky, int* iflag); void cfode(int meth); void scaleh(double* rh, double* pdh); void prja(int neq, double* y); double vmnorm(int n, double* v, double* w); double fnorm(int n, double** a, double* w); // double bnorm(); void correction(int neq, double* y, int* corflag, double pnorm, double* del, double* delp, double* told, int* ncf, double* rh, int* m); void corfailure(double* told, double* rh, int* ncf, int* corflag); void solsy(double* y); void methodswitch(double dsm, double pnorm, double* pdh, double* rh); void endstoda(); void orderswitch(double* rhup, double dsm, double* pdh, double* rh, int* orderflag); void resetcoeff(); void freevectors(); /* newly added static variables */ int ml, mu, imxer; int mord[3]; double sqrteta, *yp1, *yp2; double sm1[13]; /* static variables for lsoda() */ double ccmax, el0, h, hmin, hmxi, hu, rc, tn; int illin, init, mxstep, mxhnil, nhnil, ntrep, nslast, nyh, ierpj, iersl, jcur, jstart, kflag, l, meth, miter, maxord, maxcor, msbp, mxncf, n, nq, nst, nfe, nje, nqu; double tsw, pdnorm; int ixpr, jtyp, mused, mxordn, mxords; /* no static variable for prja(), solsy() */ /* static variables for stoda() */ double conit, crate, el[14], elco[13][14], hold, rmax, tesco[13][4]; int ialth, ipup, lmax, meo, nslp; double pdest, pdlast, ratio, cm1[13], cm2[6]; int icount, irflag; /* static variable for block data */ int mesflg; /* static variables for various vectors and the Jacobian. */ double **yh, **wm, *ewt, *savf, *acor; int* ipvt; int m_lenyh; int m_nyh; }; } // namespace Avogadro::QtPlugins #endif // QTAIMLSODAINTEGRATOR_H avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/qtaimmathutilities.cpp000066400000000000000000000174771474375334400257530ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #include "qtaimmathutilities.h" #include #include #include namespace Avogadro::QtPlugins::QTAIMMathUtilities { Matrix eigenvaluesOfASymmetricThreeByThreeMatrix( const Matrix& A) { SelfAdjointEigenSolver> eigensolver(A); return eigensolver.eigenvalues(); } Matrix eigenvectorsOfASymmetricThreeByThreeMatrix( const Matrix& A) { SelfAdjointEigenSolver> eigensolver(A); return eigensolver.eigenvectors(); } Matrix eigenvaluesOfASymmetricFourByFourMatrix( const Matrix& A) { SelfAdjointEigenSolver> eigensolver(A); return eigensolver.eigenvalues(); } Matrix eigenvectorsOfASymmetricFourByFourMatrix( const Matrix& A) { SelfAdjointEigenSolver> eigensolver(A); return eigensolver.eigenvectors(); } qint64 signOfARealNumber(qreal x) { if (x > 0.) return 1; else if (x == 0.) return 0; else return -1; } qint64 signatureOfASymmetricThreeByThreeMatrix(const Matrix& A) { SelfAdjointEigenSolver> eigensolver(A); Matrix eigenvalues = eigensolver.eigenvalues(); return signOfARealNumber(eigenvalues(0)) + signOfARealNumber(eigenvalues(1)) + signOfARealNumber(eigenvalues(2)); } qreal ellipticityOfASymmetricThreeByThreeMatrix(const Matrix& A) { SelfAdjointEigenSolver> eigensolver(A); Matrix eigenvalues = eigensolver.eigenvalues(); return (eigenvalues(0) / eigenvalues(1)) - 1.0; } qreal distance(const Matrix& a, const Matrix& b) { return sqrt(pow(a(0) - b(0), 2) + pow(a(1) - b(1), 2) + pow(a(2) - b(2), 2)); } Matrix sphericalToCartesian(const Matrix& rtp, const Matrix& x0y0z0) { qreal r = rtp(0); qreal theta = rtp(1); qreal phi = rtp(2); qreal x0 = x0y0z0(0); qreal y0 = x0y0z0(1); qreal z0 = x0y0z0(2); qreal costheta = cos(theta); qreal cosphi = cos(phi); qreal sintheta = sin(theta); qreal sinphi = sin(phi); Matrix xyz(r * cosphi * sintheta + x0, r * sintheta * sinphi + y0, r * costheta + z0); return xyz; } Matrix sphericalToCartesian(const Matrix& rtp) { Matrix x0y0z0(0., 0., 0.); return sphericalToCartesian(rtp, x0y0z0); } Matrix cartesianToSpherical(const Matrix& xyz, const Matrix& x0y0z0) { qreal x = xyz(0); qreal y = xyz(1); qreal z = xyz(2); qreal x0 = x0y0z0(0); qreal y0 = x0y0z0(1); qreal z0 = x0y0z0(2); qreal xshift = x - x0; qreal yshift = y - y0; qreal zshift = z - z0; qreal length = sqrt(pow(xshift, 2) + pow(yshift, 2) + pow(zshift, 2)); Matrix rtp; if (length == 0.) rtp << x0, y0, z0; else if (xshift == 0. && yshift == 0.) rtp << length, acos(zshift / length), 0.; else rtp << length, acos(zshift / length), atan2(xshift, yshift); return rtp; } Matrix cartesianToSpherical(const Matrix& xyz) { Matrix x0y0z0(0., 0., 0.); return cartesianToSpherical(xyz, x0y0z0); } // Cerjan-Miller-Baker-Popelier Methods // // Based on: // Popelier, P.L.A. Comput. Phys. Comm. 1996, 93, 212. Matrix minusThreeSignatureLocatorGradient( const Matrix& g, const Matrix& H) { Matrix value; Matrix b = eigenvaluesOfASymmetricThreeByThreeMatrix(H); Matrix U = eigenvectorsOfASymmetricThreeByThreeMatrix(H); Matrix F = U.transpose() * g; Matrix A; A << b(0), 0., 0., F(0), 0., b(1), 0., F(1), 0., 0., b(2), F(2), F(0), F(1), F(2), 0.; Matrix eval = eigenvaluesOfASymmetricFourByFourMatrix(A); Matrix lambda; lambda << eval(3), eval(3), eval(3); Matrix denom; denom = b - lambda; for (qint64 i = 0; i < 3; ++i) if (denom(i) < SMALL) denom(i) = denom(i) + SMALL; Matrix h; h << 0., 0., 0.; for (qint64 j = 0; j < 3; ++j) for (qint64 i = 0; i < 3; ++i) h(j) = h(j) + (-F(i) * U(j, i)) / denom(i); value = h; return value; } Matrix minusOneSignatureLocatorGradient( const Matrix& g, const Matrix& H) { Matrix value; Matrix b = eigenvaluesOfASymmetricThreeByThreeMatrix(H); Matrix U = eigenvectorsOfASymmetricThreeByThreeMatrix(H); Matrix F = U.transpose() * g; Matrix A; A << b(0), 0., F(0), 0., b(1), F(1), F(0), F(1), 0.; Matrix eval = eigenvaluesOfASymmetricThreeByThreeMatrix(A); Matrix lambda; lambda << eval(2), eval(2), (0.5) * (b(2) - sqrt(pow(b(2), 2) + 4.0 * pow(F(2), 2))); Matrix denom; denom = b - lambda; for (qint64 i = 0; i < 3; ++i) if (denom(i) < SMALL) denom(i) = denom(i) + SMALL; Matrix h; h << 0., 0., 0.; for (qint64 j = 0; j < 3; ++j) for (qint64 i = 0; i < 3; ++i) h(j) = h(j) + (-F(i) * U(j, i)) / denom(i); value = h; return value; } Matrix plusOneSignatureLocatorGradient( const Matrix& g, const Matrix& H) { Matrix value; Matrix b = eigenvaluesOfASymmetricThreeByThreeMatrix(H); Matrix U = eigenvectorsOfASymmetricThreeByThreeMatrix(H); Matrix F = U * g; Matrix A; A << b(1), 0., F(1), 0., b(2), F(2), F(1), F(2), 0.; Matrix eval = eigenvaluesOfASymmetricThreeByThreeMatrix(A); Matrix lambda; lambda << eval(2), eval(2), (0.5) * (b(0) + sqrt(pow(b(0), 2) + 4.0 * pow(F(0), 2))); Matrix denom; denom = b - lambda; for (qint64 i = 0; i < 3; ++i) if (denom(i) < SMALL) denom(i) = denom(i) + SMALL; Matrix h; h << 0., 0., 0.; for (qint64 j = 0; j < 3; ++j) for (qint64 i = 0; i < 3; ++i) h(j) = h(j) + (-F(i) * U(i, j)) / denom(i); value = h; return value; } Matrix plusThreeSignatureLocatorGradient( const Matrix& g, const Matrix& H) { Matrix value; Matrix b = eigenvaluesOfASymmetricThreeByThreeMatrix(H); Matrix U = eigenvectorsOfASymmetricThreeByThreeMatrix(H); Matrix F = U * g; Matrix A; A << b(0), 0., 0., F(0), 0., b(1), 0., F(1), 0., 0., b(2), F(2), F(0), F(1), F(2), 0.; Matrix eval = eigenvaluesOfASymmetricFourByFourMatrix(A); Matrix lambda; lambda << eval(0), eval(0), eval(0); Matrix denom; denom = b - lambda; for (qint64 i = 0; i < 3; ++i) if (denom(i) < SMALL) denom(i) = denom(i) + SMALL; Matrix h; h << 0., 0., 0.; for (qint64 j = 0; j < 3; ++j) for (qint64 i = 0; i < 3; ++i) h(j) = h(j) + (-F(i) * U(i, j)) / denom(i); value = h; return value; } } // namespace Avogadro::QtPlugins::QTAIMMathUtilities avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/qtaimmathutilities.h000066400000000000000000000050611474375334400254020ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #ifndef QTAIMMATHUTILITIES_H #define QTAIMMATHUTILITIES_H #include #include using namespace Eigen; namespace Avogadro::QtPlugins::QTAIMMathUtilities { Matrix eigenvaluesOfASymmetricThreeByThreeMatrix( const Matrix& A); Matrix eigenvectorsOfASymmetricThreeByThreeMatrix( const Matrix& A); Matrix eigenvaluesOfASymmetricFourByFourMatrix( const Matrix& A); Matrix eigenvectorsOfASymmetricFourByFourMatrix( const Matrix& A); qint64 signOfARealNumber(qreal x); qint64 signatureOfASymmetricThreeByThreeMatrix(const Matrix& A); qreal ellipticityOfASymmetricThreeByThreeMatrix(const Matrix& A); qreal distance(const Matrix& a, const Matrix& b); Matrix sphericalToCartesian(const Matrix& rtp, const Matrix& x0y0z0); Matrix sphericalToCartesian(const Matrix& rtp); Matrix cartesianToSpherical(const Matrix& xyz, const Matrix& x0y0z0); Matrix cartesianToSpherical(const Matrix& xyz); // Cerjan-Miller-Baker-Popelier Methods // A small number to prevent divide by zero in CMBP routines #define SMALL 1.e-10 Matrix minusThreeSignatureLocatorGradient( const Matrix& g, const Matrix& H); Matrix minusOneSignatureLocatorGradient( const Matrix& g, const Matrix& H); Matrix plusOneSignatureLocatorGradient( const Matrix& g, const Matrix& H); Matrix plusThreeSignatureLocatorGradient( const Matrix& g, const Matrix& H); } // namespace Avogadro::QtPlugins::QTAIMMathUtilities #endif // QTAIMMATHUTILITIES_H avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/qtaimodeintegrator.cpp000066400000000000000000000764211474375334400257260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ /* Based on codes written by Herman Watts, Lawrence Shampine, and John Burkardt. */ #include "qtaimodeintegrator.h" #include "qtaimmathutilities.h" namespace Avogadro::QtPlugins { QTAIMODEIntegrator::QTAIMODEIntegrator(QTAIMWavefunctionEvaluator& eval, const qint64 mode) : m_eval(&eval), m_mode(mode), m_associatedSphere(0) { m_betaSpheres.empty(); } QVector3D QTAIMODEIntegrator::integrate(QVector3D x0y0z0) { qreal x0 = x0y0z0.x(); qreal y0 = x0y0z0.y(); qreal z0 = x0y0z0.z(); const qint64 NEQN = 3; abserr_save = -1.0; flag_save = -1000; h = -1.0; init = -1000; kflag = -1000; kop = -1; nfe = -1; relerr_save = -1.0; remin = 1.0e-12; qreal abserr; qint64 flag; qint64 i_step; qint64 n_step; qreal relerr; qreal t; qreal t_out; qreal t_start; qreal t_stop; qreal y[3]; qreal yp[3]; switch (m_mode) { case SteepestAscentPathInElectronDensity: abserr = 1.e-5; // sqrt ( r8_epsilon ( ) ); relerr = 1.e10; // sqrt ( r8_epsilon ( ) ); t_start = 0.0; t_stop = 10.0; n_step = t_stop * 20; break; case CMBPMinusThreeGradientInElectronDensity: abserr = sqrt(r8_epsilon()); relerr = sqrt(r8_epsilon()); t_start = 0.0; t_stop = 1.0; n_step = t_stop * 1000; break; case CMBPMinusOneGradientInElectronDensity: abserr = sqrt(r8_epsilon()); relerr = sqrt(r8_epsilon()); t_start = 0.0; t_stop = 1.0; n_step = t_stop * 100; break; case CMBPPlusOneGradientInElectronDensity: abserr = sqrt(r8_epsilon()); relerr = sqrt(r8_epsilon()); t_start = 0.0; t_stop = 1.0; n_step = t_stop * 200; break; case CMBPPlusThreeGradientInElectronDensity: abserr = sqrt(r8_epsilon()); relerr = sqrt(r8_epsilon()); t_start = 0.0; t_stop = 1.0; n_step = t_stop * 200; break; case CMBPMinusThreeGradientInElectronDensityLaplacian: abserr = sqrt(r8_epsilon()); relerr = sqrt(r8_epsilon()); t_start = 0.0; t_stop = 1.0; n_step = t_stop * 200; break; case CMBPMinusOneGradientInElectronDensityLaplacian: abserr = sqrt(r8_epsilon()); relerr = sqrt(r8_epsilon()); t_start = 0.0; t_stop = 1.0; n_step = t_stop * 200; break; case CMBPPlusOneGradientInElectronDensityLaplacian: abserr = sqrt(r8_epsilon()); relerr = sqrt(r8_epsilon()); t_start = 0.0; t_stop = 1.0; n_step = t_stop * 200; break; case CMBPPlusThreeGradientInElectronDensityLaplacian: abserr = sqrt(r8_epsilon()); relerr = sqrt(r8_epsilon()); t_start = 0.0; t_stop = 1.0; n_step = t_stop * 200; break; default: qDebug() << "Catastrophic: No ODE parameters for this property."; break; } y[0] = x0; y[1] = y0; y[2] = z0; m_path.clear(); m_path.append(QVector3D(y[0], y[1], y[2])); flag = 1; for (i_step = 1; i_step <= n_step; i_step++) { t = ((qreal)(n_step - i_step + 1) * t_start + (qreal)(i_step - 1) * t_stop) / (qreal)(n_step); t_out = ((qreal)(n_step - i_step) * t_start + (qreal)(i_step)*t_stop) / (qreal)(n_step); flag = QTAIMODEIntegrator::r8_rkf45(NEQN, y, yp, &t, t_out, &relerr, abserr, flag); m_status = flag; m_path.append(QVector3D(y[0], y[1], y[2])); if (flag == 7) { flag = 2; m_status = flag; } if (flag != 2) { m_status = flag; return QVector3D(y[0], y[1], y[2]); } if (m_betaSpheres.length() > 0) { for (qint64 n = 0; n < m_betaSpheres.length(); ++n) { Matrix a(y[0], y[1], y[2]); Matrix b(m_betaSpheres.at(n).first.x(), m_betaSpheres.at(n).first.y(), m_betaSpheres.at(n).first.z()); qreal distance = QTAIMMathUtilities::distance(a, b); if (distance < m_betaSpheres.at(n).second) { m_status = 0; m_associatedSphere = n; return QVector3D(m_betaSpheres.at(n).first.x(), m_betaSpheres.at(n).first.y(), m_betaSpheres.at(n).first.z()); } } } // beta spheres } // ODE step return QVector3D(y[0], y[1], y[2]); } void QTAIMODEIntegrator::r8_f(qreal t, qreal y[], qreal yp[]) { t = t; // suppress warning Matrix gradient; Matrix gH; Matrix g; Matrix H; Matrix xyz; xyz << y[0], y[1], y[2]; if (m_mode == SteepestAscentPathInElectronDensity) { g = m_eval->gradientOfElectronDensity(xyz); } else { if (m_mode == 1 || m_mode == 2 || m_mode == 3 || m_mode == 4) { gH = m_eval->gradientAndHessianOfElectronDensity(xyz); } else { gH = m_eval->gradientAndHessianOfElectronDensityLaplacian(xyz); } g(0) = gH(0, 0); g(1) = gH(1, 0); g(2) = gH(2, 0); H(0, 0) = gH(0, 1); H(1, 0) = gH(1, 1); H(2, 0) = gH(2, 1); H(0, 1) = gH(0, 2); H(1, 1) = gH(1, 2); H(2, 1) = gH(2, 2); H(0, 2) = gH(0, 3); H(1, 2) = gH(1, 3); H(2, 2) = gH(2, 3); } switch (m_mode) { case SteepestAscentPathInElectronDensity: gradient = g; break; case CMBPMinusThreeGradientInElectronDensity: gradient = QTAIMMathUtilities::minusThreeSignatureLocatorGradient(g, H); break; case CMBPMinusOneGradientInElectronDensity: gradient = QTAIMMathUtilities::minusOneSignatureLocatorGradient(g, H); break; case CMBPPlusOneGradientInElectronDensity: gradient = QTAIMMathUtilities::plusOneSignatureLocatorGradient(g, H); break; case CMBPPlusThreeGradientInElectronDensity: gradient = QTAIMMathUtilities::plusThreeSignatureLocatorGradient(g, H); break; case CMBPMinusThreeGradientInElectronDensityLaplacian: gradient = QTAIMMathUtilities::minusThreeSignatureLocatorGradient(g, H); break; case CMBPMinusOneGradientInElectronDensityLaplacian: gradient = QTAIMMathUtilities::minusOneSignatureLocatorGradient(g, H); break; case CMBPPlusOneGradientInElectronDensityLaplacian: gradient = QTAIMMathUtilities::plusOneSignatureLocatorGradient(g, H); break; case CMBPPlusThreeGradientInElectronDensityLaplacian: gradient = QTAIMMathUtilities::plusThreeSignatureLocatorGradient(g, H); break; default: qDebug() << "Catastrophic: No ODE parameters for this property."; break; } qreal normGradient = sqrt(gradient(0) * gradient(0) + gradient(1) * gradient(1) + gradient(2) * gradient(2)); yp[0] = gradient(0) / normGradient; yp[1] = gradient(1) / normGradient; yp[2] = gradient(2) / normGradient; } //****************************************************************************80 qreal QTAIMODEIntegrator::r8_abs(qreal x) //****************************************************************************80 // // Purpose: // // R8_ABS returns the absolute value of an R8. // // Licensing: // // This code is distributed under the GNU LGPL license. // // Modified: // // 02 April 2005 // // Author: // // John Burkardt // // Parameters: // // Input, qreal X, the quantity whose absolute value is desired. // // Output, qreal R8_ABS, the absolute value of X. // { if (0.0 <= x) { return x; } else { return (-x); } } //****************************************************************************80 qreal QTAIMODEIntegrator::r8_epsilon() //****************************************************************************80 // // Purpose: // // R8_EPSILON returns the R8 round off unit. // // Discussion: // // R8_EPSILON is a number R which is a power of 2 with the property that, // to the precision of the computer's arithmetic, // 1 < 1 + R // but // 1 = ( 1 + R / 2 ) // // Licensing: // // This code is distributed under the GNU LGPL license. // // Modified: // // 06 May 2003 // // Author: // // John Burkardt // // Parameters: // // Output, qreal R8_EPSILON, the R8 round-off unit. // { qreal r = 1.0; while (1.0 < (qreal)(1.0 + r)) { r = r / 2.0; } return (2.0 * r); } //****************************************************************************80 void QTAIMODEIntegrator::r8_fehl(qint64 neqn, qreal y[], qreal t, qreal h_, qreal yp[], qreal f1[], qreal f2[], qreal f3[], qreal f4[], qreal f5[], qreal s[]) //****************************************************************************80 // // Purpose: // // R8_FEHL takes one Fehlberg fourth-fifth order step. // // Discussion: // // This version of the routine uses qreal real arithmetic. // // This routine integrates a system of NEQN first order ordinary differential // equations of the form // dY(i)/dT = F(T,Y(1:NEQN)) // where the initial values Y and the initial derivatives // YP are specified at the starting point T. // // The routine advances the solution over the fixed step H and returns // the fifth order (sixth order accurate locally) solution // approximation at T+H in array S. // // The formulas have been grouped to control loss of significance. // The routine should be called with an H not smaller than 13 units of // roundoff in T so that the various independent arguments can be // distinguished. // // Licensing: // // This code is distributed under the GNU LGPL license. // // Modified: // // 27 March 2004 // // Author: // // Original FORTRAN77 version by Herman Watts, Lawrence Shampine. // C++ version by John Burkardt. // // Reference: // // Erwin Fehlberg, // Low-order Classical Runge-Kutta Formulas with Stepsize Control, // NASA Technical Report R-315, 1969. // // Lawrence Shampine, Herman Watts, S Davenport, // Solving Non-stiff Ordinary Differential Equations - The State of the Art, // SIAM Review, // Volume 18, pages 376-411, 1976. // // Parameters: // // Input, external F, a user-supplied subroutine to evaluate the // derivatives Y'(T), of the form: // // void f ( qreal t, qreal y[], qreal yp[] ) // // Input, qint64 NEQN, the number of equations to be integrated. // // Input, qreal Y[NEQN], the current value of the dependent variable. // // Input, qreal T, the current value of the independent variable. // // Input, qreal H, the step size to take. // // Input, qreal YP[NEQN], the current value of the derivative of the // dependent variable. // // Output, qreal F1[NEQN], F2[NEQN], F3[NEQN], F4[NEQN], F5[NEQN], derivative // values needed for the computation. // // Output, qreal S[NEQN], the estimate of the solution at T+H. // { qreal ch = h_ / 4.0; for (qint64 i = 0; i < neqn; i++) { f5[i] = y[i] + ch * yp[i]; } QTAIMODEIntegrator::r8_f(t + ch, f5, f1); ch = 3.0 * h_ / 32.0; for (qint64 i = 0; i < neqn; i++) { f5[i] = y[i] + ch * (yp[i] + 3.0 * f1[i]); } QTAIMODEIntegrator::r8_f(t + 3.0 * h_ / 8.0, f5, f2); ch = h_ / 2197.0; for (qint64 i = 0; i < neqn; i++) { f5[i] = y[i] + ch * (1932.0 * yp[i] + (7296.0 * f2[i] - 7200.0 * f1[i])); } QTAIMODEIntegrator::r8_f(t + 12.0 * h_ / 13.0, f5, f3); ch = h_ / 4104.0; for (qint64 i = 0; i < neqn; i++) { f5[i] = y[i] + ch * ((8341.0 * yp[i] - 845.0 * f3[i]) + (29440.0 * f2[i] - 32832.0 * f1[i])); } QTAIMODEIntegrator::r8_f(t + h_, f5, f4); ch = h_ / 20520.0; for (qint64 i = 0; i < neqn; i++) { f1[i] = y[i] + ch * ((-6080.0 * yp[i] + (9295.0 * f3[i] - 5643.0 * f4[i])) + (41040.0 * f1[i] - 28352.0 * f2[i])); } QTAIMODEIntegrator::r8_f(t + h_ / 2.0, f1, f5); // // Ready to compute the approximate solution at T+H. // ch = h_ / 7618050.0; for (qint64 i = 0; i < neqn; i++) { s[i] = y[i] + ch * ((902880.0 * yp[i] + (3855735.0 * f3[i] - 1371249.0 * f4[i])) + (3953664.0 * f2[i] + 277020.0 * f5[i])); } } //****************************************************************************80 qreal QTAIMODEIntegrator::r8_max(qreal x, qreal y) //****************************************************************************80 // // Purpose: // // R8_MAX returns the maximum of two R8's. // // Licensing: // // This code is distributed under the GNU LGPL license. // // Modified: // // 10 January 2002 // // Author: // // John Burkardt // // Parameters: // // Input, qreal X, Y, the quantities to compare. // // Output, qreal R8_MAX, the maximum of X and Y. // { if (y < x) { return x; } else { return y; } } //****************************************************************************80 qreal QTAIMODEIntegrator::r8_min(qreal x, qreal y) //****************************************************************************80 // // Purpose: // // R8_MIN returns the minimum of two R8's. // // Licensing: // // This code is distributed under the GNU LGPL license. // // Modified: // // 09 May 2003 // // Author: // // John Burkardt // // Parameters: // // Input, qreal X, Y, the quantities to compare. // // Output, qreal R8_MIN, the minimum of X and Y. // { if (y < x) { return y; } else { return x; } } //****************************************************************************80 qint64 QTAIMODEIntegrator::r8_rkf45(qint64 neqn, qreal y[], qreal yp[], qreal* t, qreal tout, qreal* relerr, qreal abserr, qint64 flag) //****************************************************************************80 // // Purpose: // // R8_RKF45 carries out the Runge-Kutta-Fehlberg method. // // Discussion: // // This version of the routine uses qreal real arithmetic. // // This routine is primarily designed to solve non-stiff and mildly stiff // differential equations when derivative evaluations are inexpensive. // It should generally not be used when the user is demanding // high accuracy. // // This routine integrates a system of NEQN first-order ordinary differential // equations of the form: // // dY(i)/dT = F(T,Y(1),Y(2),...,Y(NEQN)) // // where the Y(1:NEQN) are given at T. // // Typically the subroutine is used to integrate from T to TOUT but it // can be used as a one-step integrator to advance the solution a // single step in the direction of TOUT. On return, the parameters in // the call list are set for continuing the integration. The user has // only to call again (and perhaps define a new value for TOUT). // // Before the first call, the user must // // * supply the subroutine F(T,Y,YP) to evaluate the right hand side; // and declare F in an EXTERNAL statement; // // * initialize the parameters: // NEQN, Y(1:NEQN), T, TOUT, RELERR, ABSERR, FLAG. // In particular, T should initially be the starting point for integration, // Y should be the value of the initial conditions, and FLAG should // normally be +1. // // Normally, the user only sets the value of FLAG before the first call, and // thereafter, the program manages the value. On the first call, FLAG should // normally be +1 (or -1 for single step mode.) On normal return, FLAG will // have been reset by the program to the value of 2 (or -2 in single // step mode), and the user can continue to call the routine with that // value of FLAG. // // (When the input magnitude of FLAG is 1, this indicates to the program // that it is necessary to do some initialization work. An input magnitude // of 2 lets the program know that initialization can be skipped, // and that useful information was computed earlier.) // // The routine returns with all the information needed to continue // the integration. If the integration reached TOUT, the user need only // define a new TOUT and call again. In the one-step integrator // mode, returning with FLAG = -2, the user must keep in mind that // each step taken is in the direction of the current TOUT. Upon // reaching TOUT, indicated by the output value of FLAG switching to 2, // the user must define a new TOUT and reset FLAG to -2 to continue // in the one-step integrator mode. // // In some cases, an error or difficulty occurs during a call. In that case, // the output value of FLAG is used to indicate that there is a problem // that the user must address. These values include: // // * 3, integration was not completed because the input value of RELERR, the // relative error tolerance, was too small. RELERR has been increased // appropriately for continuing. If the user accepts the output value of // RELERR, then simply reset FLAG to 2 and continue. // // * 4, integration was not completed because more than MAXNFE derivative // evaluations were needed. This is approximately (MAXNFE/6) steps. // The user may continue by simply calling again. The function counter // will be reset to 0, and another MAXNFE function evaluations are allowed. // // * 5, integration was not completed because the solution vanished, // making a pure relative error test impossible. The user must use // a non-zero ABSERR to continue. Using the one-step integration mode // for one step is a good way to proceed. // // * 6, integration was not completed because the requested accuracy // could not be achieved, even using the smallest allowable stepsize. // The user must increase the error tolerances ABSERR or RELERR before // continuing. It is also necessary to reset FLAG to 2 (or -2 when // the one-step integration mode is being used). The occurrence of // FLAG = 6 indicates a trouble spot. The solution is changing // rapidly, or a singularity may be present. It often is inadvisable // to continue. // // * 7, it is likely that this routine is inefficient for solving // this problem. Too much output is restricting the natural stepsize // choice. The user should use the one-step integration mode with // the stepsize determined by the code. If the user insists upon // continuing the integration, reset FLAG to 2 before calling // again. Otherwise, execution will be terminated. // // * 8, invalid input parameters, indicates one of the following: // NEQN <= 0; // T = TOUT and |FLAG| /= 1; // RELERR < 0 or ABSERR < 0; // FLAG == 0 or FLAG < -2 or 8 < FLAG. // // Licensing: // // This code is distributed under the GNU LGPL license. // // Modified: // // 27 March 2004 // // Author: // // Original FORTRAN77 version by Herman Watts, Lawrence Shampine. // C++ version by John Burkardt. // // Reference: // // Erwin Fehlberg, // Low-order Classical Runge-Kutta Formulas with Stepsize Control, // NASA Technical Report R-315, 1969. // // Lawrence Shampine, Herman Watts, S Davenport, // Solving Non-stiff Ordinary Differential Equations - The State of the Art, // SIAM Review, // Volume 18, pages 376-411, 1976. // // Parameters: // // Input, external F, a user-supplied subroutine to evaluate the // derivatives Y'(T), of the form: // // void f ( qreal t, qreal y[], qreal yp[] ) // // Input, qint64 NEQN, the number of equations to be integrated. // // Input/output, qreal Y[NEQN], the current solution vector at T. // // Input/output, qreal YP[NEQN], the derivative of the current solution // vector at T. The user should not set or alter this information! // // Input/output, qreal *T, the current value of the independent variable. // // Input, qreal TOUT, the output point at which solution is desired. // TOUT = T is allowed on the first call only, in which case the routine // returns with FLAG = 2 if continuation is possible. // // Input, qreal *RELERR, ABSERR, the relative and absolute error tolerances // for the local error test. At each step the code requires: // abs ( local error ) <= RELERR * abs ( Y ) + ABSERR // for each component of the local error and the solution vector Y. // RELERR cannot be "too small". If the routine believes RELERR has been // set too small, it will reset RELERR to an acceptable value and return // immediately for user action. // // Input, qint64 FLAG, indicator for status of integration. On the first // call, // set FLAG to +1 for normal use, or to -1 for single step mode. On // subsequent continuation steps, FLAG should be +2, or -2 for single // step mode. // // Output, qint64 RKF45_D, indicator for status of integration. A value of 2 // or -2 indicates normal progress, while any other value indicates a // problem that should be addressed. // { // ECB: originally 3000 #define MAXNFE 1000 qreal ae; qreal dt; qreal ee; qreal eeoet; qreal eps; qreal esttol; qreal et; qreal* f1; qreal* f2; qreal* f3; qreal* f4; qreal* f5; bool hfaild; qreal hmin; qint64 i; qint64 k; qint64 mflag; bool output; qreal relerr_min; qreal s; qreal scale; qreal tol; qreal toln; qreal ypk; // // Check the input parameters. // eps = r8_epsilon(); if (neqn < 1) { return 8; } if ((*relerr) < 0.0) { return 8; } if (abserr < 0.0) { return 8; } if (flag == 0 || 8 < flag || flag < -2) { return 8; } mflag = (qint64)abs((long)flag); // // Is this a continuation call? // if (mflag != 1) { if (*t == tout && kflag != 3) { return 8; } // // FLAG = -2 or +2: // if (mflag == 2) { if (kflag == 3) { flag = flag_save; mflag = (qint64)abs((long)flag); } else if (init == 0) { flag = flag_save; } else if (kflag == 4) { nfe = 0; } else if (kflag == 5 && abserr == 0.0) { // error } else if (kflag == 6 && (*relerr) <= relerr_save && abserr <= abserr_save) { // error } } // // FLAG = 3, 4, 5, 6, 7 or 8. // else { if (flag == 3) { flag = flag_save; if (kflag == 3) { mflag = (qint64)abs((long)flag); } } else if (flag == 4) { nfe = 0; flag = flag_save; if (kflag == 3) { mflag = (qint64)abs((long)flag); } } else if (flag == 5 && 0.0 < abserr) { flag = flag_save; if (kflag == 3) { mflag = (qint64)abs((long)flag); } } // // Integration cannot be continued because the user did not respond to // the instructions pertaining to FLAG = 5, 6, 7 or 8. // else { // error } } } // // Save the input value of FLAG. // Set the continuation flag KFLAG for subsequent input checking. // flag_save = flag; kflag = 0; // // Save RELERR and ABSERR for checking input on subsequent calls. // relerr_save = (*relerr); abserr_save = abserr; // // Restrict the relative error tolerance to be at least // // 2*EPS+REMIN // // to avoid limiting precision difficulties arising from impossible // accuracy requests. // relerr_min = 2.0 * r8_epsilon() + remin; // // Is the relative error tolerance too small? // if ((*relerr) < relerr_min) { (*relerr) = relerr_min; kflag = 3; return 3; } dt = tout - *t; // // Initialization: // // Set the initialization completion indicator, INIT; // set the indicator for too many output points, KOP; // evaluate the initial derivatives // set the counter for function evaluations, NFE; // estimate the starting stepsize. // f1 = new qreal[neqn]; f2 = new qreal[neqn]; f3 = new qreal[neqn]; f4 = new qreal[neqn]; f5 = new qreal[neqn]; if (mflag == 1) { init = 0; kop = 0; QTAIMODEIntegrator::r8_f(*t, y, yp); nfe = 1; if (*t == tout) { return 2; } } if (init == 0) { init = 1; h = r8_abs(dt); toln = 0.0; for (k = 0; k < neqn; k++) { tol = (*relerr) * r8_abs(y[k]) + abserr; if (0.0 < tol) { toln = tol; ypk = r8_abs(yp[k]); if (tol < ypk * pow(h, 5)) { h = pow((tol / ypk), 0.2); } } } if (toln <= 0.0) { h = 0.0; } h = r8_max(h, 26.0 * eps * r8_max(r8_abs(*t), r8_abs(dt))); if (flag < 0) { flag_save = -2; } else { flag_save = 2; } } // // Set stepsize for integration in the direction from T to TOUT. // h = r8_sign(dt) * r8_abs(h); // // Test to see if too may output points are being requested. // if (2.0 * r8_abs(dt) <= r8_abs(h)) { kop = kop + 1; } // // Unnecessary frequency of output. // if (kop == 100) { kop = 0; delete[] f1; delete[] f2; delete[] f3; delete[] f4; delete[] f5; return 7; } // // If we are too close to the output point, then simply extrapolate and // return. // if (r8_abs(dt) <= 26.0 * eps * r8_abs(*t)) { *t = tout; for (i = 0; i < neqn; i++) { y[i] = y[i] + dt * yp[i]; } QTAIMODEIntegrator::r8_f(*t, y, yp); nfe = nfe + 1; delete[] f1; delete[] f2; delete[] f3; delete[] f4; delete[] f5; return 2; } // // Initialize the output point indicator. // output = false; // // To avoid premature underflow in the error tolerance function, // scale the error tolerances. // scale = 2.0 / (*relerr); ae = scale * abserr; // // Step by step integration. // for (;;) { hfaild = false; // // Set the smallest allowable stepsize. // hmin = 26.0 * eps * r8_abs(*t); // // Adjust the stepsize if necessary to hit the output point. // // Look ahead two steps to avoid drastic changes in the stepsize and // thus lessen the impact of output points on the code. // dt = tout - *t; if (2.0 * r8_abs(h) <= r8_abs(dt)) { } else // // Will the next successful step complete the integration to the output // point? // { if (r8_abs(dt) <= r8_abs(h)) { output = true; h = dt; } else { h = 0.5 * dt; } } // // Here begins the core integrator for taking a single step. // // The tolerances have been scaled to avoid premature underflow in // computing the error tolerance function ET. // To avoid problems with zero crossings, relative error is measured // using the average of the magnitudes of the solution at the // beginning and end of a step. // The error estimate formula has been grouped to control loss of // significance. // // To distinguish the various arguments, H is not permitted // to become smaller than 26 units of roundoff in T. // Practical limits on the change in the stepsize are enforced to // smooth the stepsize selection process and to avoid excessive // chattering on problems having discontinuities. // To prevent unnecessary failures, the code uses 9/10 the stepsize // it estimates will succeed. // // After a step failure, the stepsize is not allowed to increase for // the next attempted step. This makes the code more efficient on // problems having discontinuities and more effective in general // since local extrapolation is being used and extra caution seems // warranted. // // Test the number of derivative function evaluations. // If okay, try to advance the integration from T to T+H. // for (;;) { // // Have we done too much work? // if (MAXNFE < nfe) { kflag = 4; delete[] f1; delete[] f2; delete[] f3; delete[] f4; delete[] f5; return 4; } // // Advance an approximate solution over one step of length H. // r8_fehl(neqn, y, *t, h, yp, f1, f2, f3, f4, f5, f1); nfe = nfe + 5; // // Compute and test allowable tolerances versus local error estimates // and remove scaling of tolerances. The relative error is // measured with respect to the average of the magnitudes of the // solution at the beginning and end of the step. // eeoet = 0.0; for (k = 0; k < neqn; k++) { et = r8_abs(y[k]) + r8_abs(f1[k]) + ae; if (et <= 0.0) { delete[] f1; delete[] f2; delete[] f3; delete[] f4; delete[] f5; return 5; } ee = r8_abs((-2090.0 * yp[k] + (21970.0 * f3[k] - 15048.0 * f4[k])) + (22528.0 * f2[k] - 27360.0 * f5[k])); eeoet = r8_max(eeoet, ee / et); } esttol = r8_abs(h) * eeoet * scale / 752400.0; if (esttol <= 1.0) { break; } // // Unsuccessful step. Reduce the stepsize, try again. // The decrease is limited to a factor of 1/10. // hfaild = true; output = false; if (esttol < 59049.0) { s = 0.9 / pow(esttol, 0.2); } else { s = 0.1; } h = s * h; if (r8_abs(h) < hmin) { kflag = 6; delete[] f1; delete[] f2; delete[] f3; delete[] f4; delete[] f5; return 6; } } // // We exited the loop because we took a successful step. // Store the solution for T+H, and evaluate the derivative there. // *t = *t + h; for (i = 0; i < neqn; i++) { y[i] = f1[i]; } QTAIMODEIntegrator::r8_f(*t, y, yp); nfe = nfe + 1; // // Choose the next stepsize. The increase is limited to a factor of 5. // If the step failed, the next stepsize is not allowed to increase. // if (0.0001889568 < esttol) { s = 0.9 / pow(esttol, 0.2); } else { s = 5.0; } if (hfaild) { s = r8_min(s, 1.0); } h = r8_sign(h) * r8_max(s * r8_abs(h), hmin); // // End of core integrator // // Should we take another step? // if (output) { *t = tout; delete[] f1; delete[] f2; delete[] f3; delete[] f4; delete[] f5; return 2; } if (flag <= 0) { delete[] f1; delete[] f2; delete[] f3; delete[] f4; delete[] f5; return (-2); } } #undef MAXNFE } //****************************************************************************80 qreal QTAIMODEIntegrator::r8_sign(qreal x) //****************************************************************************80 // // Purpose: // // R8_SIGN returns the sign of an R8. // // Licensing: // // This code is distributed under the GNU LGPL license. // // Modified: // // 27 March 2004 // // Author: // // John Burkardt // // Parameters: // // Input, qreal X, the number whose sign is desired. // // Output, qreal R8_SIGN, the sign of X. // { if (x < 0.0) { return (-1.0); } else { return (+1.0); } } //****************************************************************************80 } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/qtaimodeintegrator.h000066400000000000000000000052511474375334400253640ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #ifndef QTAIMODEINTEGRATOR_H #define QTAIMODEINTEGRATOR_H #include "qtaimwavefunctionevaluator.h" #include #include #include #include #include namespace Avogadro::QtPlugins { class QTAIMODEIntegrator { public: enum { SteepestAscentPathInElectronDensity = 0, CMBPMinusThreeGradientInElectronDensity = 1, CMBPMinusOneGradientInElectronDensity = 2, CMBPPlusOneGradientInElectronDensity = 3, CMBPPlusThreeGradientInElectronDensity = 4, CMBPMinusThreeGradientInElectronDensityLaplacian = 5, CMBPMinusOneGradientInElectronDensityLaplacian = 6, CMBPPlusOneGradientInElectronDensityLaplacian = 7, CMBPPlusThreeGradientInElectronDensityLaplacian = 8 }; explicit QTAIMODEIntegrator(QTAIMWavefunctionEvaluator& eval, const qint64 mode); QVector3D integrate(QVector3D x0y0z0); qint64 status() const { return m_status; } const QList path() const { return m_path; } void setBetaSpheres(QList> betaSpheres) { m_betaSpheres = betaSpheres; } qint64 associatedSphere() const { return m_associatedSphere; } private: QTAIMWavefunctionEvaluator* m_eval; qint64 m_mode; qint64 m_status; QList m_path; QList> m_betaSpheres; qint64 m_associatedSphere; // ODE integrator qreal r8_abs(qreal x); qreal r8_epsilon(); void r8_fehl(qint64 neqn, qreal y[], qreal t, qreal h, qreal yp[], qreal f1[], qreal f2[], qreal f3[], qreal f4[], qreal f5[], qreal s[]); qreal r8_max(qreal x, qreal y); qreal r8_min(qreal x, qreal y); qint64 r8_rkf45(qint64 neqn, qreal y[], qreal yp[], qreal* t, qreal tout, qreal* relerr, qreal abserr, qint64 flag); qreal r8_sign(qreal x); void r8_f(qreal t, qreal y[], qreal yp[]); qreal abserr_save; qint64 flag_save; qreal h; qint64 init; qint64 kflag; qint64 kop; qint64 nfe; qreal relerr_save; qreal remin; }; } // namespace Avogadro::QtPlugins #endif // QTAIMODEINTEGRATOR_H avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/qtaimsettingswidget.ui000066400000000000000000000114101474375334400257420ustar00rootroot00000000000000 QTAIMSettingsWidget 0 0 307 285 Critical Point Radius: 5 65 10 25 Qt::Horizontal QSlider::TicksBothSides Bond Path Radius: 1 6 1 2 Qt::Horizontal QSlider::TicksBothSides 2 0 20 1 2 20 20 Qt::Horizontal false QSlider::TicksBothSides 4 0 0 0 0 0 Covalent Constant Size Qt::Horizontal Qt::Horizontal Opacity: Qt::Vertical 20 40 avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/qtaimwavefunction.cpp000066400000000000000000000463311474375334400255650ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #include "qtaimwavefunction.h" #include #include #include #include #include namespace Avogadro::QtPlugins { QTAIMWavefunction::QTAIMWavefunction() : m_initializationSuccessful(false) {} bool QTAIMWavefunction::initializeWithWFNFile(const QString& fileName) { m_initializationSuccessful = false; QFile file(fileName); bool fileExists = file.exists(); if (!(fileExists)) { m_initializationSuccessful = false; m_fileDoesNotExist = true; return m_initializationSuccessful; } else { m_fileDoesNotExist = false; } bool success = file.open(QIODevice::ReadOnly | QIODevice::Text); if (!(success)) { m_initializationSuccessful = false; m_ioError = true; return m_initializationSuccessful; } else { m_ioError = false; } m_fileName = fileName; QTextStream in(&file); QString fileContents = in.readAll(); file.close(); QStringList fileContentsByLine(fileContents.split("\n")); // Title/Comment m_comment = fileContentsByLine.first(); fileContentsByLine.removeFirst(); m_numberOfMolecularOrbitals = fileContentsByLine.first().mid(8, 15).toLongLong(); m_numberOfGaussianPrimitives = fileContentsByLine.first().mid(36, 8).toLongLong(); ; m_numberOfNuclei = fileContentsByLine.first().mid(54, 10).toLongLong(); ; fileContentsByLine.removeFirst(); // Maximum Number of Nuclei Due to Fixed Format if (m_numberOfNuclei > 999) { m_initializationSuccessful = false; m_tooManyNuclei = true; return m_initializationSuccessful; } else { m_tooManyNuclei = false; } m_xNuclearCoordinates.resize(m_numberOfNuclei); m_yNuclearCoordinates.resize(m_numberOfNuclei); m_zNuclearCoordinates.resize(m_numberOfNuclei); m_nuclearCharges.resize(m_numberOfNuclei); for (qint64 i = 0; i < m_numberOfNuclei; ++i) { m_xNuclearCoordinates[i] = fileContentsByLine.first().mid(24, 13).toDouble(); m_yNuclearCoordinates[i] = fileContentsByLine.first().mid(36, 12).toDouble(); m_zNuclearCoordinates[i] = fileContentsByLine.first().mid(48, 12).toDouble(); m_nuclearCharges[i] = fileContentsByLine.first().mid(70, 3).toLongLong(); fileContentsByLine.removeFirst(); } QList centerAssignmentsList; while (fileContentsByLine.first().startsWith("CENTRE ASSIGNMENTS")) { QString line(fileContentsByLine.first().mid(20, -1)); qint64 counter = 0; while (counter < line.length()) { centerAssignmentsList.append(line.mid(counter, 3).toLongLong()); counter = counter + 3; } fileContentsByLine.removeFirst(); } m_xGaussianPrimitiveCenterCoordinates.resize(m_numberOfGaussianPrimitives); m_yGaussianPrimitiveCenterCoordinates.resize(m_numberOfGaussianPrimitives); m_zGaussianPrimitiveCenterCoordinates.resize(m_numberOfGaussianPrimitives); for (qint64 i = 0; i < m_numberOfGaussianPrimitives; ++i) { m_xGaussianPrimitiveCenterCoordinates[i] = m_xNuclearCoordinates[centerAssignmentsList.at(i) - 1]; m_yGaussianPrimitiveCenterCoordinates[i] = m_yNuclearCoordinates[centerAssignmentsList.at(i) - 1]; m_zGaussianPrimitiveCenterCoordinates[i] = m_zNuclearCoordinates[centerAssignmentsList.at(i) - 1]; } QList typeAssignmentsList; while (fileContentsByLine.first().startsWith("TYPE ASSIGNMENTS")) { QString line(fileContentsByLine.first().mid(20, -1)); QStringList splitLine(line.split(" ", Qt::SkipEmptyParts)); for (qint64 i = 0; i < splitLine.length(); ++i) { typeAssignmentsList.append(splitLine.at(i).toLongLong()); } fileContentsByLine.removeFirst(); } m_xGaussianPrimitiveAngularMomenta.resize(m_numberOfGaussianPrimitives); m_yGaussianPrimitiveAngularMomenta.resize(m_numberOfGaussianPrimitives); m_zGaussianPrimitiveAngularMomenta.resize(m_numberOfGaussianPrimitives); for (qint64 i = 0; i < m_numberOfGaussianPrimitives; ++i) { switch (typeAssignmentsList.at(i)) { case 1: m_xGaussianPrimitiveAngularMomenta[i] = 0; m_yGaussianPrimitiveAngularMomenta[i] = 0; m_zGaussianPrimitiveAngularMomenta[i] = 0; break; case 2: m_xGaussianPrimitiveAngularMomenta[i] = 1; m_yGaussianPrimitiveAngularMomenta[i] = 0; m_zGaussianPrimitiveAngularMomenta[i] = 0; break; case 3: m_xGaussianPrimitiveAngularMomenta[i] = 0; m_yGaussianPrimitiveAngularMomenta[i] = 1; m_zGaussianPrimitiveAngularMomenta[i] = 0; break; case 4: m_xGaussianPrimitiveAngularMomenta[i] = 0; m_yGaussianPrimitiveAngularMomenta[i] = 0; m_zGaussianPrimitiveAngularMomenta[i] = 1; break; case 5: m_xGaussianPrimitiveAngularMomenta[i] = 2; m_yGaussianPrimitiveAngularMomenta[i] = 0; m_zGaussianPrimitiveAngularMomenta[i] = 0; break; case 6: m_xGaussianPrimitiveAngularMomenta[i] = 0; m_yGaussianPrimitiveAngularMomenta[i] = 2; m_zGaussianPrimitiveAngularMomenta[i] = 0; break; case 7: m_xGaussianPrimitiveAngularMomenta[i] = 0; m_yGaussianPrimitiveAngularMomenta[i] = 0; m_zGaussianPrimitiveAngularMomenta[i] = 2; break; case 8: m_xGaussianPrimitiveAngularMomenta[i] = 1; m_yGaussianPrimitiveAngularMomenta[i] = 1; m_zGaussianPrimitiveAngularMomenta[i] = 0; break; case 9: m_xGaussianPrimitiveAngularMomenta[i] = 1; m_yGaussianPrimitiveAngularMomenta[i] = 0; m_zGaussianPrimitiveAngularMomenta[i] = 1; break; case 10: m_xGaussianPrimitiveAngularMomenta[i] = 0; m_yGaussianPrimitiveAngularMomenta[i] = 1; m_zGaussianPrimitiveAngularMomenta[i] = 1; break; case 11: m_xGaussianPrimitiveAngularMomenta[i] = 3; m_yGaussianPrimitiveAngularMomenta[i] = 0; m_zGaussianPrimitiveAngularMomenta[i] = 0; break; case 12: m_xGaussianPrimitiveAngularMomenta[i] = 0; m_yGaussianPrimitiveAngularMomenta[i] = 3; m_zGaussianPrimitiveAngularMomenta[i] = 0; break; case 13: m_xGaussianPrimitiveAngularMomenta[i] = 0; m_yGaussianPrimitiveAngularMomenta[i] = 0; m_zGaussianPrimitiveAngularMomenta[i] = 3; break; case 14: m_xGaussianPrimitiveAngularMomenta[i] = 2; m_yGaussianPrimitiveAngularMomenta[i] = 1; m_zGaussianPrimitiveAngularMomenta[i] = 0; break; case 15: m_xGaussianPrimitiveAngularMomenta[i] = 2; m_yGaussianPrimitiveAngularMomenta[i] = 0; m_zGaussianPrimitiveAngularMomenta[i] = 1; break; case 16: m_xGaussianPrimitiveAngularMomenta[i] = 0; m_yGaussianPrimitiveAngularMomenta[i] = 2; m_zGaussianPrimitiveAngularMomenta[i] = 1; break; case 17: m_xGaussianPrimitiveAngularMomenta[i] = 1; m_yGaussianPrimitiveAngularMomenta[i] = 2; m_zGaussianPrimitiveAngularMomenta[i] = 0; break; case 18: m_xGaussianPrimitiveAngularMomenta[i] = 1; m_yGaussianPrimitiveAngularMomenta[i] = 0; m_zGaussianPrimitiveAngularMomenta[i] = 2; break; case 19: m_xGaussianPrimitiveAngularMomenta[i] = 0; m_yGaussianPrimitiveAngularMomenta[i] = 1; m_zGaussianPrimitiveAngularMomenta[i] = 2; break; case 20: m_xGaussianPrimitiveAngularMomenta[i] = 1; m_yGaussianPrimitiveAngularMomenta[i] = 1; m_zGaussianPrimitiveAngularMomenta[i] = 1; break; default: m_initializationSuccessful = false; m_maximumAngularMomentumExceeded = true; return m_initializationSuccessful; } } m_maximumAngularMomentumExceeded = false; QList exponentsList; while (fileContentsByLine.first().startsWith("EXPONENTS")) { QString line(fileContentsByLine.first().mid(9, -1)); QStringList splitLine(line.split(" ", Qt::SkipEmptyParts)); for (qint64 i = 0; i < splitLine.length(); ++i) { QString str(splitLine.at(i)); QString replacedString(str.replace("d", "e", Qt::CaseSensitive) .replace("D", "e", Qt::CaseSensitive) .replace("E", "e", Qt::CaseSensitive)); exponentsList.append(replacedString.toDouble()); } fileContentsByLine.removeFirst(); } m_gaussianPrimitiveExponentCoefficients.resize(m_numberOfGaussianPrimitives); for (qint64 i = 0; i < m_numberOfGaussianPrimitives; ++i) { m_gaussianPrimitiveExponentCoefficients[i] = exponentsList.at(i); } m_totalEnergy = fileContentsByLine.last().mid(17, 20).toDouble(); m_virialRatio = fileContentsByLine.last().mid(55, -1).toDouble(); fileContentsByLine.removeLast(); fileContentsByLine.removeLast(); if (fileContentsByLine.last().trimmed().contains("END DATA", Qt::CaseSensitive)) fileContentsByLine.removeLast(); QStringList moHeaderStringList; QStringList moCoefficientsStringList; QList moCoefficientsList; for (qint64 i = 0; i < fileContentsByLine.length(); ++i) { if (fileContentsByLine.at(i).trimmed().startsWith("MO")) { moHeaderStringList.append(fileContentsByLine.at(i)); } else { moCoefficientsStringList.append(fileContentsByLine.at(i)); } } QList molecularOrbitalOccupationNumbersList; QList molecularOrbitalEigenvaluesList; for (qint64 i = 0; i < moHeaderStringList.length(); ++i) { molecularOrbitalOccupationNumbersList.append( moHeaderStringList.at(i).mid(34, 13).toDouble()); molecularOrbitalEigenvaluesList.append( moHeaderStringList.at(i).mid(62, -1).toDouble()); } m_molecularOrbitalOccupationNumbers.resize(m_numberOfMolecularOrbitals); for (qint64 i = 0; i < m_numberOfMolecularOrbitals; ++i) m_molecularOrbitalOccupationNumbers[i] = molecularOrbitalOccupationNumbersList.at(i); m_molecularOrbitalEigenvalues.resize(m_numberOfMolecularOrbitals); for (qint64 i = 0; i < m_numberOfMolecularOrbitals; ++i) m_molecularOrbitalEigenvalues[i] = molecularOrbitalEigenvaluesList.at(i); moCoefficientsStringList = moCoefficientsStringList.join(" ").split(" ", Qt::SkipEmptyParts); for (qint64 i = 0; i < moCoefficientsStringList.length(); ++i) { QString str(moCoefficientsStringList.at(i)); QString replacedString(str.replace("d", "e", Qt::CaseSensitive) .replace("D", "e", Qt::CaseSensitive) .replace("E", "e", Qt::CaseSensitive)); moCoefficientsList.append(replacedString.toDouble()); } m_molecularOrbitalCoefficients.resize(m_numberOfMolecularOrbitals * m_numberOfGaussianPrimitives); for (qint64 i = 0; i < (m_numberOfMolecularOrbitals * m_numberOfGaussianPrimitives); ++i) m_molecularOrbitalCoefficients[i] = moCoefficientsList.at(i); m_initializationSuccessful = true; return m_initializationSuccessful; } bool QTAIMWavefunction::initializeWithMoleculeProperties(QtGui::Molecule*& mol) { if (mol->property("QTAIMNumberOfMolecularOrbitals").isValid()) { QVariant numberOfMolecularOrbitalsVariant = mol->property("QTAIMNumberOfMolecularOrbitals"); m_numberOfMolecularOrbitals = numberOfMolecularOrbitalsVariant.toLongLong(); QVariant numberOfGaussianPrimitivesVariant = mol->property("QTAIMNumberOfGaussianPrimitives"); m_numberOfGaussianPrimitives = numberOfGaussianPrimitivesVariant.toLongLong(); QVariant numberOfNucleiVariant = mol->property("QTAIMNumberOfNuclei"); m_numberOfNuclei = numberOfNucleiVariant.toLongLong(); QVariant xNuclearCoordinatesVariant = mol->property("QTAIMXNuclearCoordinates"); QVariant yNuclearCoordinatesVariant = mol->property("QTAIMYNuclearCoordinates"); QVariant zNuclearCoordinatesVariant = mol->property("QTAIMZNuclearCoordinates"); QVariant nuclearChargesVariant = mol->property("QTAIMNuclearCharges"); QVariantList xNuclearCoordinatesVariantList = xNuclearCoordinatesVariant.toList(); QVariantList yNuclearCoordinatesVariantList = yNuclearCoordinatesVariant.toList(); QVariantList zNuclearCoordinatesVariantList = zNuclearCoordinatesVariant.toList(); QVariantList nuclearChargesVariantList = nuclearChargesVariant.toList(); QList xNuclearCoordinatesList; QList yNuclearCoordinatesList; QList zNuclearCoordinatesList; QList nuclearChargesList_; for (qint64 i = 0; i < m_numberOfNuclei; ++i) { xNuclearCoordinatesList.append( xNuclearCoordinatesVariantList.at(i).toReal()); yNuclearCoordinatesList.append( yNuclearCoordinatesVariantList.at(i).toReal()); zNuclearCoordinatesList.append( zNuclearCoordinatesVariantList.at(i).toReal()); nuclearChargesList_.append(nuclearChargesVariantList.at(i).toLongLong()); } m_xNuclearCoordinates = xNuclearCoordinatesList.toVector(); m_yNuclearCoordinates = yNuclearCoordinatesList.toVector(); m_zNuclearCoordinates = zNuclearCoordinatesList.toVector(); m_nuclearCharges = nuclearChargesList_.toVector(); QVariant xGaussianPrimitiveCenterCoordinatesVariant = mol->property("QTAIMXGaussianPrimitiveCenterCoordinates"); QVariant yGaussianPrimitiveCenterCoordinatesVariant = mol->property("QTAIMYGaussianPrimitiveCenterCoordinates"); QVariant zGaussianPrimitiveCenterCoordinatesVariant = mol->property("QTAIMZGaussianPrimitiveCenterCoordinates"); QVariant xGaussianPrimitiveAngularMomentaVariant = mol->property("QTAIMXGaussianPrimitiveAngularMomenta"); QVariant yGaussianPrimitiveAngularMomentaVariant = mol->property("QTAIMYGaussianPrimitiveAngularMomenta"); QVariant zGaussianPrimitiveAngularMomentaVariant = mol->property("QTAIMZGaussianPrimitiveAngularMomenta"); QVariant gaussianPrimitiveExponentCoefficientsVariant = mol->property("QTAIMGaussianPrimitiveExponentCoefficients"); QVariantList xGaussianPrimitiveCenterCoordinatesVariantList = xGaussianPrimitiveCenterCoordinatesVariant.toList(); QVariantList yGaussianPrimitiveCenterCoordinatesVariantList = yGaussianPrimitiveCenterCoordinatesVariant.toList(); QVariantList zGaussianPrimitiveCenterCoordinatesVariantList = zGaussianPrimitiveCenterCoordinatesVariant.toList(); QVariantList xGaussianPrimitiveAngularMomentaVariantList = xGaussianPrimitiveAngularMomentaVariant.toList(); QVariantList yGaussianPrimitiveAngularMomentaVariantList = yGaussianPrimitiveAngularMomentaVariant.toList(); QVariantList zGaussianPrimitiveAngularMomentaVariantList = zGaussianPrimitiveAngularMomentaVariant.toList(); QVariantList gaussianPrimitiveExponentCoefficientsVariantList = gaussianPrimitiveExponentCoefficientsVariant.toList(); QList xGaussianPrimitiveCenterCoordinatesList; QList yGaussianPrimitiveCenterCoordinatesList; QList zGaussianPrimitiveCenterCoordinatesList; QList xGaussianPrimitiveAngularMomentaList; QList yGaussianPrimitiveAngularMomentaList; QList zGaussianPrimitiveAngularMomentaList; QList gaussianPrimitiveExponentCoefficientsList; for (qint64 p = 0; p < m_numberOfGaussianPrimitives; ++p) { xGaussianPrimitiveCenterCoordinatesList.append( xGaussianPrimitiveCenterCoordinatesVariantList.at(p).toReal()); yGaussianPrimitiveCenterCoordinatesList.append( yGaussianPrimitiveCenterCoordinatesVariantList.at(p).toReal()); zGaussianPrimitiveCenterCoordinatesList.append( zGaussianPrimitiveCenterCoordinatesVariantList.at(p).toReal()); xGaussianPrimitiveAngularMomentaList.append( xGaussianPrimitiveAngularMomentaVariantList.at(p).toLongLong()); yGaussianPrimitiveAngularMomentaList.append( yGaussianPrimitiveAngularMomentaVariantList.at(p).toLongLong()); zGaussianPrimitiveAngularMomentaList.append( zGaussianPrimitiveAngularMomentaVariantList.at(p).toLongLong()); gaussianPrimitiveExponentCoefficientsList.append( gaussianPrimitiveExponentCoefficientsVariantList.at(p).toReal()); } m_xGaussianPrimitiveCenterCoordinates = xGaussianPrimitiveCenterCoordinatesList.toVector(); m_yGaussianPrimitiveCenterCoordinates = yGaussianPrimitiveCenterCoordinatesList.toVector(); m_zGaussianPrimitiveCenterCoordinates = zGaussianPrimitiveCenterCoordinatesList.toVector(); m_xGaussianPrimitiveAngularMomenta = xGaussianPrimitiveAngularMomentaList.toVector(); m_yGaussianPrimitiveAngularMomenta = yGaussianPrimitiveAngularMomentaList.toVector(); m_zGaussianPrimitiveAngularMomenta = zGaussianPrimitiveAngularMomentaList.toVector(); m_gaussianPrimitiveExponentCoefficients = gaussianPrimitiveExponentCoefficientsList.toVector(); QVariant molecularOrbitalOccupationNumbersVariant = mol->property("QTAIMMolecularOrbitalOccupationNumbers"); QVariant molecularOrbitalEigenvaluesVariant = mol->property("QTAIMMolecularOrbitalEigenvalues"); QVariant molecularOrbitalCoefficientsVariant = mol->property("QTAIMMolecularOrbitalCoefficients"); QVariantList molecularOrbitalOccupationNumbersVariantList = molecularOrbitalOccupationNumbersVariant.toList(); QVariantList molecularOrbitalEigenvaluesVariantList = molecularOrbitalEigenvaluesVariant.toList(); QVariantList molecularOrbitalCoefficientsVariantList = molecularOrbitalCoefficientsVariant.toList(); QList molecularOrbitalOccupationNumbersList; QList molecularOrbitalEigenvaluesList; QList molecularOrbitalCoefficientsList; for (qint64 m = 0; m < m_numberOfMolecularOrbitals; ++m) { molecularOrbitalOccupationNumbersList.append( molecularOrbitalOccupationNumbersVariantList.at(m).toReal()); molecularOrbitalEigenvaluesList.append( molecularOrbitalEigenvaluesVariantList.at(m).toReal()); } for (qint64 i = 0; i < (m_numberOfMolecularOrbitals * m_numberOfGaussianPrimitives); ++i) { molecularOrbitalCoefficientsList.append( molecularOrbitalCoefficientsVariantList.at(i).toReal()); } m_molecularOrbitalOccupationNumbers = molecularOrbitalOccupationNumbersList.toVector(); m_molecularOrbitalEigenvalues = molecularOrbitalEigenvaluesList.toVector(); m_molecularOrbitalCoefficients = molecularOrbitalCoefficientsList.toVector(); QVariant totalEnergyVariant = mol->property("QTAIMTotalEnergy"); QVariant virialRatioVariant = mol->property("QTAIMVirialRatio"); m_totalEnergy = totalEnergyVariant.toReal(); m_virialRatio = virialRatioVariant.toReal(); } return true; } } // end namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/qtaimwavefunction.h000066400000000000000000000176531474375334400252370ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #ifndef QTAIMWAVEFUNCTION_H #define QTAIMWAVEFUNCTION_H #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { class QTAIMWavefunction { public: explicit QTAIMWavefunction(); void saveToBinaryFile(const QString& fileName) { QFile file(fileName); file.open(QIODevice::WriteOnly); QDataStream out(&file); out << m_fileName; out << m_comment; out << m_numberOfMolecularOrbitals; out << m_numberOfGaussianPrimitives; out << m_numberOfNuclei; out << m_xNuclearCoordinates; out << m_yNuclearCoordinates; out << m_zNuclearCoordinates; out << m_nuclearCharges; out << m_xGaussianPrimitiveCenterCoordinates; out << m_yGaussianPrimitiveCenterCoordinates; out << m_zGaussianPrimitiveCenterCoordinates; out << m_xGaussianPrimitiveAngularMomenta; out << m_yGaussianPrimitiveAngularMomenta; out << m_zGaussianPrimitiveAngularMomenta; out << m_gaussianPrimitiveExponentCoefficients; out << m_molecularOrbitalOccupationNumbers; out << m_molecularOrbitalEigenvalues; out << m_molecularOrbitalCoefficients; out << m_totalEnergy; out << m_virialRatio; } void loadFromBinaryFile(const QString& fileName) { QFile file(fileName); file.open(QIODevice::ReadOnly); QDataStream in(&file); in >> m_fileName; in >> m_comment; in >> m_numberOfMolecularOrbitals; in >> m_numberOfGaussianPrimitives; in >> m_numberOfNuclei; in >> m_xNuclearCoordinates; in >> m_yNuclearCoordinates; in >> m_zNuclearCoordinates; in >> m_nuclearCharges; in >> m_xGaussianPrimitiveCenterCoordinates; in >> m_yGaussianPrimitiveCenterCoordinates; in >> m_zGaussianPrimitiveCenterCoordinates; in >> m_xGaussianPrimitiveAngularMomenta; in >> m_yGaussianPrimitiveAngularMomenta; in >> m_zGaussianPrimitiveAngularMomenta; in >> m_gaussianPrimitiveExponentCoefficients; in >> m_molecularOrbitalOccupationNumbers; in >> m_molecularOrbitalEigenvalues; in >> m_molecularOrbitalCoefficients; in >> m_totalEnergy; in >> m_virialRatio; } bool initializeWithWFNFile(const QString& fileName); // bool initializeWithMoleculeProperties( Molecule &mol ); bool initializeWithMoleculeProperties(QtGui::Molecule*& mol); // TODO initialize with Avogadro general wavefunction qint64 numberOfMolecularOrbitals() const { return m_numberOfMolecularOrbitals; } qint64 numberOfGaussianPrimitives() const { return m_numberOfGaussianPrimitives; } qint64 numberOfNuclei() const { return m_numberOfNuclei; } const qreal* xNuclearCoordinates() const { return m_xNuclearCoordinates.constData(); } const qreal* yNuclearCoordinates() const { return m_yNuclearCoordinates.constData(); } const qreal* zNuclearCoordinates() const { return m_zNuclearCoordinates.constData(); } qreal xNuclearCoordinate(qint64 i) const { return m_xNuclearCoordinates.at(i); } qreal yNuclearCoordinate(qint64 i) const { return m_yNuclearCoordinates.at(i); } qreal zNuclearCoordinate(qint64 i) const { return m_zNuclearCoordinates.at(i); } const qint64* nuclearCharges() const { return m_nuclearCharges.constData(); } qint64 nuclearCharge(qint64 i) const { return m_nuclearCharges.at(i); } const QList nuclearChargesList() const { return m_nuclearCharges.toList(); } const qreal* xGaussianPrimitiveCenterCoordinates() const { return m_xGaussianPrimitiveCenterCoordinates.constData(); } const qreal* yGaussianPrimitiveCenterCoordinates() const { return m_yGaussianPrimitiveCenterCoordinates.constData(); } const qreal* zGaussianPrimitiveCenterCoordinates() const { return m_zGaussianPrimitiveCenterCoordinates.constData(); } qreal xGaussianPrimitiveCenterCoordinate(qint64 i) const { return m_xGaussianPrimitiveCenterCoordinates.at(i); } qreal yGaussianPrimitiveCenterCoordinate(qint64 i) const { return m_yGaussianPrimitiveCenterCoordinates.at(i); } qreal zGaussianPrimitiveCenterCoordinate(qint64 i) const { return m_zGaussianPrimitiveCenterCoordinates.at(i); } const qint64* xGaussianPrimitiveAngularMomenta() const { return m_xGaussianPrimitiveAngularMomenta.constData(); } const qint64* yGaussianPrimitiveAngularMomenta() const { return m_yGaussianPrimitiveAngularMomenta.constData(); } const qint64* zGaussianPrimitiveAngularMomenta() const { return m_zGaussianPrimitiveAngularMomenta.constData(); } qint64 xGaussianPrimitiveAngularMomentum(qint64 i) const { return m_xGaussianPrimitiveAngularMomenta.at(i); } qint64 yGaussianPrimitiveAngularMomentum(qint64 i) const { return m_yGaussianPrimitiveAngularMomenta.at(i); } qint64 zGaussianPrimitiveAngularMomentum(qint64 i) const { return m_zGaussianPrimitiveAngularMomenta.at(i); } const qreal* gaussianPrimitiveExponentCoefficients() const { return m_gaussianPrimitiveExponentCoefficients.constData(); } qreal gaussianPrimitiveExponentCoefficient(qint64 i) const { return m_gaussianPrimitiveExponentCoefficients.at(i); } const qreal* molecularOrbitalOccupationNumbers() const { return m_molecularOrbitalOccupationNumbers.constData(); } qreal molecularOrbitalOccupationNumber(qint64 i) const { return m_molecularOrbitalOccupationNumbers.at(i); } const qreal* molecularOrbitalEigenvalues() const { return m_molecularOrbitalEigenvalues.constData(); } qreal molecularOrbitalEigenvalue(qint64 i) const { return m_molecularOrbitalEigenvalues.at(i); } const qreal* molecularOrbitalCoefficients() const { return m_molecularOrbitalCoefficients.constData(); } qreal molecularOrbitalCoefficient(qint64 i) const { return m_molecularOrbitalCoefficients.at(i); } qreal molecularOrbitalCoefficient(qint64 mo, qint64 prim) const { return m_molecularOrbitalCoefficients.at(mo * m_numberOfGaussianPrimitives + prim); } qreal totalEnergy() const { return m_totalEnergy; } qreal virialRatio() const { return m_virialRatio; } private: bool m_initializationSuccessful; bool m_fileDoesNotExist; bool m_ioError; bool m_tooManyNuclei; bool m_maximumAngularMomentumExceeded; QString m_fileName; QString m_comment; qint64 m_numberOfMolecularOrbitals; qint64 m_numberOfGaussianPrimitives; qint64 m_numberOfNuclei; QVector m_xNuclearCoordinates; QVector m_yNuclearCoordinates; QVector m_zNuclearCoordinates; QVector m_nuclearCharges; QVector m_xGaussianPrimitiveCenterCoordinates; QVector m_yGaussianPrimitiveCenterCoordinates; QVector m_zGaussianPrimitiveCenterCoordinates; QVector m_xGaussianPrimitiveAngularMomenta; QVector m_yGaussianPrimitiveAngularMomenta; QVector m_zGaussianPrimitiveAngularMomenta; QVector m_gaussianPrimitiveExponentCoefficients; QVector m_molecularOrbitalOccupationNumbers; QVector m_molecularOrbitalEigenvalues; QVector m_molecularOrbitalCoefficients; qreal m_totalEnergy; qreal m_virialRatio; }; } // namespace Avogadro::QtPlugins #endif // QTAIMWAVEFUNCTION_H avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/qtaimwavefunctionevaluator.cpp000066400000000000000000002126471474375334400275150ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #include "qtaimwavefunctionevaluator.h" #include namespace Avogadro::QtPlugins { QTAIMWavefunctionEvaluator::QTAIMWavefunctionEvaluator(QTAIMWavefunction& wfn) : m_nmo(wfn.numberOfMolecularOrbitals()), m_nprim(wfn.numberOfGaussianPrimitives()), m_nnuc(wfn.numberOfNuclei()), m_nucxcoord( Map>(wfn.xNuclearCoordinates(), m_nnuc)), m_nucycoord( Map>(wfn.yNuclearCoordinates(), m_nnuc)), m_nuczcoord( Map>(wfn.zNuclearCoordinates(), m_nnuc)), m_nucz(Map>(wfn.nuclearCharges(), m_nnuc)), m_X0(Map>( wfn.xGaussianPrimitiveCenterCoordinates(), m_nprim, 1)), m_Y0(Map>( wfn.yGaussianPrimitiveCenterCoordinates(), m_nprim, 1)), m_Z0(Map>( wfn.zGaussianPrimitiveCenterCoordinates(), m_nprim, 1)), m_xamom(Map>( wfn.xGaussianPrimitiveAngularMomenta(), m_nprim, 1)), m_yamom(Map>( wfn.yGaussianPrimitiveAngularMomenta(), m_nprim, 1)), m_zamom(Map>( wfn.zGaussianPrimitiveAngularMomenta(), m_nprim, 1)), m_alpha(Map>( wfn.gaussianPrimitiveExponentCoefficients(), m_nprim, 1)), m_occno(Map>( wfn.molecularOrbitalOccupationNumbers(), m_nmo, 1)), m_orbe(Map>( wfn.molecularOrbitalEigenvalues(), m_nmo, 1)), m_coef(Map>( wfn.molecularOrbitalCoefficients(), m_nmo, m_nprim)), m_totalEnergy(wfn.totalEnergy()), m_virialRatio(wfn.virialRatio()), m_cutoff(log(1.e-15)) { m_cdg000.resize(m_nmo); m_cdg100.resize(m_nmo); m_cdg010.resize(m_nmo); m_cdg001.resize(m_nmo); m_cdg200.resize(m_nmo); m_cdg110.resize(m_nmo); m_cdg101.resize(m_nmo); m_cdg020.resize(m_nmo); m_cdg011.resize(m_nmo); m_cdg002.resize(m_nmo); m_cdg300.resize(m_nmo); m_cdg120.resize(m_nmo); m_cdg102.resize(m_nmo); m_cdg210.resize(m_nmo); m_cdg030.resize(m_nmo); m_cdg012.resize(m_nmo); m_cdg201.resize(m_nmo); m_cdg021.resize(m_nmo); m_cdg003.resize(m_nmo); m_cdg111.resize(m_nmo); m_cdg400.resize(m_nmo); m_cdg220.resize(m_nmo); m_cdg202.resize(m_nmo); m_cdg310.resize(m_nmo); m_cdg130.resize(m_nmo); m_cdg112.resize(m_nmo); m_cdg301.resize(m_nmo); m_cdg121.resize(m_nmo); m_cdg103.resize(m_nmo); m_cdg040.resize(m_nmo); m_cdg022.resize(m_nmo); m_cdg211.resize(m_nmo); m_cdg031.resize(m_nmo); m_cdg013.resize(m_nmo); m_cdg004.resize(m_nmo); } qreal QTAIMWavefunctionEvaluator::molecularOrbital( const qint64 mo, const Matrix xyz) { qreal value = 0.0; for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qreal ax0 = ipow(xx0, m_xamom(p)); qreal ay0 = ipow(yy0, m_yamom(p)); qreal az0 = ipow(zz0, m_zamom(p)); qreal b0 = exp(b0arg); qreal dg000 = ax0 * ay0 * az0 * b0; value += m_coef(mo, p) * dg000; } } return value; } qreal QTAIMWavefunctionEvaluator::electronDensity(const Matrix xyz) { qreal value; m_cdg000.setZero(); for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qreal ax0 = ipow(xx0, m_xamom(p)); qreal ay0 = ipow(yy0, m_yamom(p)); qreal az0 = ipow(zz0, m_zamom(p)); qreal b0 = exp(b0arg); qreal dg000 = ax0 * ay0 * az0 * b0; for (qint64 m = 0; m < m_nmo; ++m) { m_cdg000(m) += m_coef(m, p) * dg000; } } } value = 0.0; for (qint64 m = 0; m < m_nmo; ++m) { value += m_occno(m) * ipow(m_cdg000(m), 2); } return value; } Matrix QTAIMWavefunctionEvaluator::gradientOfElectronDensity( Matrix xyz) { Matrix value; const qreal zero = 0.0; const qreal one = 1.0; m_cdg000.setZero(); m_cdg100.setZero(); m_cdg010.setZero(); m_cdg001.setZero(); for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qint64 aax0 = 1; qint64 aay0 = 1; qint64 aaz0 = 1; qint64 aax1 = m_xamom(p); qint64 aay1 = m_yamom(p); qint64 aaz1 = m_zamom(p); qreal ax0 = aax0 * ipow(xx0, m_xamom(p)); qreal ay0 = aay0 * ipow(yy0, m_yamom(p)); qreal az0 = aaz0 * ipow(zz0, m_zamom(p)); qreal ax1; qreal ay1; qreal az1; if (m_xamom(p) < 1) { ax1 = zero; } else if (m_xamom(p) == 1) { ax1 = one; } else { ax1 = aax1 * ipow(xx0, m_xamom(p) - 1); } if (m_yamom(p) < 1) { ay1 = zero; } else if (m_yamom(p) == 1) { ay1 = one; } else { ay1 = aay1 * ipow(yy0, m_yamom(p) - 1); } if (m_zamom(p) < 1) { az1 = zero; } else if (m_zamom(p) == 1) { az1 = one; } else { az1 = aaz1 * ipow(zz0, m_zamom(p) - 1); } qreal b0 = exp(b0arg); qreal bx1 = -2 * m_alpha(p) * xx0; qreal by1 = -2 * m_alpha(p) * yy0; qreal bz1 = -2 * m_alpha(p) * zz0; qreal dg000 = ax0 * ay0 * az0 * b0; qreal dg100 = ay0 * az0 * b0 * (ax1 + ax0 * bx1); qreal dg010 = ax0 * az0 * b0 * (ay1 + ay0 * by1); qreal dg001 = ax0 * ay0 * b0 * (az1 + az0 * bz1); for (qint64 m = 0; m < m_nmo; ++m) { m_cdg000(m) += m_coef(m, p) * dg000; m_cdg100(m) += m_coef(m, p) * dg100; m_cdg010(m) += m_coef(m, p) * dg010; m_cdg001(m) += m_coef(m, p) * dg001; } } } value.setZero(); for (qint64 m = 0; m < m_nmo; ++m) { value(0) += m_occno(m) * m_cdg100(m) * m_cdg000(m); value(1) += m_occno(m) * m_cdg010(m) * m_cdg000(m); value(2) += m_occno(m) * m_cdg001(m) * m_cdg000(m); } return value; } Matrix QTAIMWavefunctionEvaluator::hessianOfElectronDensity( const Matrix xyz) { Matrix value; const qreal zero = 0.0; const qreal one = 1.0; m_cdg000.setZero(); m_cdg100.setZero(); m_cdg010.setZero(); m_cdg001.setZero(); m_cdg200.setZero(); m_cdg020.setZero(); m_cdg002.setZero(); m_cdg110.setZero(); m_cdg101.setZero(); m_cdg011.setZero(); for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qint64 aax0 = 1; qint64 aay0 = 1; qint64 aaz0 = 1; qint64 aax1 = m_xamom(p); qint64 aay1 = m_yamom(p); qint64 aaz1 = m_zamom(p); qint64 aax2 = m_xamom(p) * (m_xamom(p) - 1); qint64 aay2 = m_yamom(p) * (m_yamom(p) - 1); qint64 aaz2 = m_zamom(p) * (m_zamom(p) - 1); qreal ax0 = aax0 * ipow(xx0, m_xamom(p)); qreal ay0 = aay0 * ipow(yy0, m_yamom(p)); qreal az0 = aaz0 * ipow(zz0, m_zamom(p)); qreal ax1; qreal ay1; qreal az1; if (m_xamom(p) < 1) { ax1 = zero; } else if (m_xamom(p) == 1) { ax1 = one; } else { ax1 = aax1 * ipow(xx0, m_xamom(p) - 1); } if (m_yamom(p) < 1) { ay1 = zero; } else if (m_yamom(p) == 1) { ay1 = one; } else { ay1 = aay1 * ipow(yy0, m_yamom(p) - 1); } if (m_zamom(p) < 1) { az1 = zero; } else if (m_zamom(p) == 1) { az1 = one; } else { az1 = aaz1 * ipow(zz0, m_zamom(p) - 1); } qreal ax2; qreal ay2; qreal az2; if (m_xamom(p) < 2) { ax2 = zero; } else if (m_xamom(p) == 2) { ax2 = one; } else { ax2 = aax2 * ipow(xx0, m_xamom(p) - 2); } if (m_yamom(p) < 2) { ay2 = zero; } else if (m_yamom(p) == 2) { ay2 = one; } else { ay2 = aay2 * ipow(yy0, m_yamom(p) - 2); } if (m_zamom(p) < 2) { az2 = zero; } else if (m_zamom(p) == 2) { az2 = one; } else { az2 = aaz2 * ipow(zz0, m_zamom(p) - 2); } qreal b0 = exp(b0arg); qreal bx1 = -2 * m_alpha(p) * xx0; qreal by1 = -2 * m_alpha(p) * yy0; qreal bz1 = -2 * m_alpha(p) * zz0; qreal bx2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(xx0, 2)); qreal by2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(yy0, 2)); qreal bz2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(zz0, 2)); qreal dg000 = ax0 * ay0 * az0 * b0; qreal dg100 = ay0 * az0 * b0 * (ax1 + ax0 * bx1); qreal dg010 = ax0 * az0 * b0 * (ay1 + ay0 * by1); qreal dg001 = ax0 * ay0 * b0 * (az1 + az0 * bz1); qreal dg200 = ay0 * az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2); qreal dg020 = ax0 * az0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg002 = ax0 * ay0 * b0 * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg110 = az0 * b0 * (ax1 + ax0 * bx1) * (ay1 + ay0 * by1); qreal dg101 = ay0 * b0 * (ax1 + ax0 * bx1) * (az1 + az0 * bz1); qreal dg011 = ax0 * b0 * (ay1 + ay0 * by1) * (az1 + az0 * bz1); for (qint64 m = 0; m < m_nmo; ++m) { m_cdg000(m) += m_coef(m, p) * dg000; m_cdg100(m) += m_coef(m, p) * dg100; m_cdg010(m) += m_coef(m, p) * dg010; m_cdg001(m) += m_coef(m, p) * dg001; m_cdg200(m) += m_coef(m, p) * dg200; m_cdg020(m) += m_coef(m, p) * dg020; m_cdg002(m) += m_coef(m, p) * dg002; m_cdg110(m) += m_coef(m, p) * dg110; m_cdg101(m) += m_coef(m, p) * dg101; m_cdg011(m) += m_coef(m, p) * dg011; } } } value.setZero(); for (qint64 m = 0; m < m_nmo; ++m) { value(0, 0) += 2 * m_occno(m) * (ipow(m_cdg100(m), 2) + m_cdg000(m) * m_cdg200(m)); value(1, 1) += 2 * m_occno(m) * (ipow(m_cdg010(m), 2) + m_cdg000(m) * m_cdg020(m)); value(2, 2) += 2 * m_occno(m) * (ipow(m_cdg001(m), 2) + m_cdg000(m) * m_cdg002(m)); value(0, 1) += 2 * m_occno(m) * (m_cdg100(m) * m_cdg010(m) + m_cdg000(m) * m_cdg110(m)); value(0, 2) += 2 * m_occno(m) * (m_cdg100(m) * m_cdg001(m) + m_cdg000(m) * m_cdg101(m)); value(1, 2) += 2 * m_occno(m) * (m_cdg010(m) * m_cdg001(m) + m_cdg000(m) * m_cdg011(m)); } value(1, 0) = value(0, 1); value(2, 0) = value(0, 2); value(2, 1) = value(1, 2); return value; } Matrix QTAIMWavefunctionEvaluator::gradientAndHessianOfElectronDensity( const Matrix xyz) { Matrix gValue; Matrix hValue; Matrix value; const qreal zero = 0.0; const qreal one = 1.0; m_cdg000.setZero(); m_cdg100.setZero(); m_cdg010.setZero(); m_cdg001.setZero(); m_cdg200.setZero(); m_cdg020.setZero(); m_cdg002.setZero(); m_cdg110.setZero(); m_cdg101.setZero(); m_cdg011.setZero(); for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qint64 aax0 = 1; qint64 aay0 = 1; qint64 aaz0 = 1; qint64 aax1 = m_xamom(p); qint64 aay1 = m_yamom(p); qint64 aaz1 = m_zamom(p); qint64 aax2 = m_xamom(p) * (m_xamom(p) - 1); qint64 aay2 = m_yamom(p) * (m_yamom(p) - 1); qint64 aaz2 = m_zamom(p) * (m_zamom(p) - 1); qreal ax0 = aax0 * ipow(xx0, m_xamom(p)); qreal ay0 = aay0 * ipow(yy0, m_yamom(p)); qreal az0 = aaz0 * ipow(zz0, m_zamom(p)); qreal ax1; qreal ay1; qreal az1; if (m_xamom(p) < 1) { ax1 = zero; } else if (m_xamom(p) == 1) { ax1 = one; } else { ax1 = aax1 * ipow(xx0, m_xamom(p) - 1); } if (m_yamom(p) < 1) { ay1 = zero; } else if (m_yamom(p) == 1) { ay1 = one; } else { ay1 = aay1 * ipow(yy0, m_yamom(p) - 1); } if (m_zamom(p) < 1) { az1 = zero; } else if (m_zamom(p) == 1) { az1 = one; } else { az1 = aaz1 * ipow(zz0, m_zamom(p) - 1); } qreal ax2; qreal ay2; qreal az2; if (m_xamom(p) < 2) { ax2 = zero; } else if (m_xamom(p) == 2) { ax2 = one; } else { ax2 = aax2 * ipow(xx0, m_xamom(p) - 2); } if (m_yamom(p) < 2) { ay2 = zero; } else if (m_yamom(p) == 2) { ay2 = one; } else { ay2 = aay2 * ipow(yy0, m_yamom(p) - 2); } if (m_zamom(p) < 2) { az2 = zero; } else if (m_zamom(p) == 2) { az2 = one; } else { az2 = aaz2 * ipow(zz0, m_zamom(p) - 2); } qreal b0 = exp(b0arg); qreal bx1 = -2 * m_alpha(p) * xx0; qreal by1 = -2 * m_alpha(p) * yy0; qreal bz1 = -2 * m_alpha(p) * zz0; qreal bx2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(xx0, 2)); qreal by2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(yy0, 2)); qreal bz2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(zz0, 2)); qreal dg000 = ax0 * ay0 * az0 * b0; qreal dg100 = ay0 * az0 * b0 * (ax1 + ax0 * bx1); qreal dg010 = ax0 * az0 * b0 * (ay1 + ay0 * by1); qreal dg001 = ax0 * ay0 * b0 * (az1 + az0 * bz1); qreal dg200 = ay0 * az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2); qreal dg020 = ax0 * az0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg002 = ax0 * ay0 * b0 * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg110 = az0 * b0 * (ax1 + ax0 * bx1) * (ay1 + ay0 * by1); qreal dg101 = ay0 * b0 * (ax1 + ax0 * bx1) * (az1 + az0 * bz1); qreal dg011 = ax0 * b0 * (ay1 + ay0 * by1) * (az1 + az0 * bz1); for (qint64 m = 0; m < m_nmo; ++m) { m_cdg000(m) += m_coef(m, p) * dg000; m_cdg100(m) += m_coef(m, p) * dg100; m_cdg010(m) += m_coef(m, p) * dg010; m_cdg001(m) += m_coef(m, p) * dg001; m_cdg200(m) += m_coef(m, p) * dg200; m_cdg020(m) += m_coef(m, p) * dg020; m_cdg002(m) += m_coef(m, p) * dg002; m_cdg110(m) += m_coef(m, p) * dg110; m_cdg101(m) += m_coef(m, p) * dg101; m_cdg011(m) += m_coef(m, p) * dg011; } } } gValue.setZero(); for (qint64 m = 0; m < m_nmo; ++m) { gValue(0) += m_occno(m) * m_cdg100(m) * m_cdg000(m); gValue(1) += m_occno(m) * m_cdg010(m) * m_cdg000(m); gValue(2) += m_occno(m) * m_cdg001(m) * m_cdg000(m); } hValue.setZero(); for (qint64 m = 0; m < m_nmo; ++m) { hValue(0, 0) += 2 * m_occno(m) * (ipow(m_cdg100(m), 2) + m_cdg000(m) * m_cdg200(m)); hValue(1, 1) += 2 * m_occno(m) * (ipow(m_cdg010(m), 2) + m_cdg000(m) * m_cdg020(m)); hValue(2, 2) += 2 * m_occno(m) * (ipow(m_cdg001(m), 2) + m_cdg000(m) * m_cdg002(m)); hValue(0, 1) += 2 * m_occno(m) * (m_cdg100(m) * m_cdg010(m) + m_cdg000(m) * m_cdg110(m)); hValue(0, 2) += 2 * m_occno(m) * (m_cdg100(m) * m_cdg001(m) + m_cdg000(m) * m_cdg101(m)); hValue(1, 2) += 2 * m_occno(m) * (m_cdg010(m) * m_cdg001(m) + m_cdg000(m) * m_cdg011(m)); } hValue(1, 0) = hValue(0, 1); hValue(2, 0) = hValue(0, 2); hValue(2, 1) = hValue(1, 2); value(0, 0) = gValue(0); value(1, 0) = gValue(1); value(2, 0) = gValue(2); value(0, 1) = hValue(0, 0); value(1, 1) = hValue(1, 0); value(2, 1) = hValue(2, 0); value(0, 2) = hValue(0, 1); value(1, 2) = hValue(1, 1); value(2, 2) = hValue(2, 1); value(0, 3) = hValue(0, 2); value(1, 3) = hValue(1, 2); value(2, 3) = hValue(2, 2); return value; } qreal QTAIMWavefunctionEvaluator::laplacianOfElectronDensity( const Matrix xyz) { qreal value; const qreal zero = 0.0; const qreal one = 1.0; m_cdg000.setZero(); m_cdg100.setZero(); m_cdg010.setZero(); m_cdg001.setZero(); m_cdg200.setZero(); m_cdg020.setZero(); m_cdg002.setZero(); for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qint64 aax0 = 1; qint64 aay0 = 1; qint64 aaz0 = 1; qint64 aax1 = m_xamom(p); qint64 aay1 = m_yamom(p); qint64 aaz1 = m_zamom(p); qint64 aax2 = m_xamom(p) * (m_xamom(p) - 1); qint64 aay2 = m_yamom(p) * (m_yamom(p) - 1); qint64 aaz2 = m_zamom(p) * (m_zamom(p) - 1); qreal ax0 = aax0 * ipow(xx0, m_xamom(p)); qreal ay0 = aay0 * ipow(yy0, m_yamom(p)); qreal az0 = aaz0 * ipow(zz0, m_zamom(p)); qreal ax1; qreal ay1; qreal az1; if (m_xamom(p) < 1) { ax1 = zero; } else if (m_xamom(p) == 1) { ax1 = one; } else { ax1 = aax1 * ipow(xx0, m_xamom(p) - 1); } if (m_yamom(p) < 1) { ay1 = zero; } else if (m_yamom(p) == 1) { ay1 = one; } else { ay1 = aay1 * ipow(yy0, m_yamom(p) - 1); } if (m_zamom(p) < 1) { az1 = zero; } else if (m_zamom(p) == 1) { az1 = one; } else { az1 = aaz1 * ipow(zz0, m_zamom(p) - 1); } qreal ax2; qreal ay2; qreal az2; if (m_xamom(p) < 2) { ax2 = zero; } else if (m_xamom(p) == 2) { ax2 = one; } else { ax2 = aax2 * ipow(xx0, m_xamom(p) - 2); } if (m_yamom(p) < 2) { ay2 = zero; } else if (m_yamom(p) == 2) { ay2 = one; } else { ay2 = aay2 * ipow(yy0, m_yamom(p) - 2); } if (m_zamom(p) < 2) { az2 = zero; } else if (m_zamom(p) == 2) { az2 = one; } else { az2 = aaz2 * ipow(zz0, m_zamom(p) - 2); } qreal b0 = exp(b0arg); qreal bx1 = -2 * m_alpha(p) * xx0; qreal by1 = -2 * m_alpha(p) * yy0; qreal bz1 = -2 * m_alpha(p) * zz0; qreal bx2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(xx0, 2)); qreal by2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(yy0, 2)); qreal bz2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(zz0, 2)); qreal dg000 = ax0 * ay0 * az0 * b0; qreal dg100 = ay0 * az0 * b0 * (ax1 + ax0 * bx1); qreal dg010 = ax0 * az0 * b0 * (ay1 + ay0 * by1); qreal dg001 = ax0 * ay0 * b0 * (az1 + az0 * bz1); qreal dg200 = ay0 * az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2); qreal dg020 = ax0 * az0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg002 = ax0 * ay0 * b0 * (az2 + 2 * az1 * bz1 + az0 * bz2); for (qint64 m = 0; m < m_nmo; ++m) { m_cdg000(m) += m_coef(m, p) * dg000; m_cdg100(m) += m_coef(m, p) * dg100; m_cdg010(m) += m_coef(m, p) * dg010; m_cdg001(m) += m_coef(m, p) * dg001; m_cdg200(m) += m_coef(m, p) * dg200; m_cdg020(m) += m_coef(m, p) * dg020; m_cdg002(m) += m_coef(m, p) * dg002; } } } value = 0.0; for (qint64 m = 0; m < m_nmo; ++m) { value += 2 * m_occno(m) * (ipow(m_cdg100(m), 2) + m_cdg000(m) * m_cdg200(m)) + 2 * m_occno(m) * (ipow(m_cdg010(m), 2) + m_cdg000(m) * m_cdg020(m)) + 2 * m_occno(m) * (ipow(m_cdg001(m), 2) + m_cdg000(m) * m_cdg002(m)); } return value; } Matrix QTAIMWavefunctionEvaluator::gradientOfElectronDensityLaplacian( const Matrix xyz) { Matrix value; const qreal zero = 0.0; const qreal one = 1.0; m_cdg000.setZero(); m_cdg100.setZero(); m_cdg010.setZero(); m_cdg001.setZero(); m_cdg200.setZero(); m_cdg020.setZero(); m_cdg002.setZero(); m_cdg110.setZero(); m_cdg101.setZero(); m_cdg011.setZero(); m_cdg300.setZero(); m_cdg120.setZero(); m_cdg102.setZero(); m_cdg210.setZero(); m_cdg030.setZero(); m_cdg012.setZero(); m_cdg201.setZero(); m_cdg021.setZero(); m_cdg003.setZero(); // m_cdg111.setZero(); for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qint64 aax0 = 1; qint64 aay0 = 1; qint64 aaz0 = 1; qint64 aax1 = m_xamom(p); qint64 aay1 = m_yamom(p); qint64 aaz1 = m_zamom(p); qint64 aax2 = m_xamom(p) * (m_xamom(p) - 1); qint64 aay2 = m_yamom(p) * (m_yamom(p) - 1); qint64 aaz2 = m_zamom(p) * (m_zamom(p) - 1); qint64 aax3 = m_xamom(p) * (m_xamom(p) - 1) * (m_xamom(p) - 2); qint64 aay3 = m_yamom(p) * (m_yamom(p) - 1) * (m_yamom(p) - 2); qint64 aaz3 = m_zamom(p) * (m_zamom(p) - 1) * (m_zamom(p) - 2); qreal ax0 = aax0 * ipow(xx0, m_xamom(p)); qreal ay0 = aay0 * ipow(yy0, m_yamom(p)); qreal az0 = aaz0 * ipow(zz0, m_zamom(p)); qreal ax1; qreal ay1; qreal az1; if (m_xamom(p) < 1) { ax1 = zero; } else if (m_xamom(p) == 1) { ax1 = one; } else { ax1 = aax1 * ipow(xx0, m_xamom(p) - 1); } if (m_yamom(p) < 1) { ay1 = zero; } else if (m_yamom(p) == 1) { ay1 = one; } else { ay1 = aay1 * ipow(yy0, m_yamom(p) - 1); } if (m_zamom(p) < 1) { az1 = zero; } else if (m_zamom(p) == 1) { az1 = one; } else { az1 = aaz1 * ipow(zz0, m_zamom(p) - 1); } qreal ax2; qreal ay2; qreal az2; if (m_xamom(p) < 2) { ax2 = zero; } else if (m_xamom(p) == 2) { ax2 = one; } else { ax2 = aax2 * ipow(xx0, m_xamom(p) - 2); } if (m_yamom(p) < 2) { ay2 = zero; } else if (m_yamom(p) == 2) { ay2 = one; } else { ay2 = aay2 * ipow(yy0, m_yamom(p) - 2); } if (m_zamom(p) < 2) { az2 = zero; } else if (m_zamom(p) == 2) { az2 = one; } else { az2 = aaz2 * ipow(zz0, m_zamom(p) - 2); } qreal ax3; qreal ay3; qreal az3; if (m_xamom(p) < 3) { ax3 = zero; } else if (m_xamom(p) == 3) { ax3 = one; } else { ax3 = aax3 * ipow(xx0, m_xamom(p) - 3); } if (m_yamom(p) < 3) { ay3 = zero; } else if (m_yamom(p) == 3) { ay3 = one; } else { ay3 = aay3 * ipow(yy0, m_yamom(p) - 3); } if (m_zamom(p) < 3) { az3 = zero; } else if (m_zamom(p) == 3) { az3 = one; } else { az3 = aaz3 * ipow(zz0, m_zamom(p) - 3); } qreal b0 = exp(b0arg); qreal bx1 = -2 * m_alpha(p) * xx0; qreal by1 = -2 * m_alpha(p) * yy0; qreal bz1 = -2 * m_alpha(p) * zz0; qreal bx2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(xx0, 2)); qreal by2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(yy0, 2)); qreal bz2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(zz0, 2)); qreal bx3 = (12 * ipow(m_alpha(p), 2) * xx0) - (8 * ipow(m_alpha(p), 3) * ipow(xx0, 3)); qreal by3 = (12 * ipow(m_alpha(p), 2) * yy0) - (8 * ipow(m_alpha(p), 3) * ipow(yy0, 3)); qreal bz3 = (12 * ipow(m_alpha(p), 2) * zz0) - (8 * ipow(m_alpha(p), 3) * ipow(zz0, 3)); qreal dg000 = ax0 * ay0 * az0 * b0; qreal dg100 = ay0 * az0 * b0 * (ax1 + ax0 * bx1); qreal dg010 = ax0 * az0 * b0 * (ay1 + ay0 * by1); qreal dg001 = ax0 * ay0 * b0 * (az1 + az0 * bz1); qreal dg200 = ay0 * az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2); qreal dg020 = ax0 * az0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg002 = ax0 * ay0 * b0 * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg110 = az0 * b0 * (ax1 + ax0 * bx1) * (ay1 + ay0 * by1); qreal dg101 = ay0 * b0 * (ax1 + ax0 * bx1) * (az1 + az0 * bz1); qreal dg011 = ax0 * b0 * (ay1 + ay0 * by1) * (az1 + az0 * bz1); qreal dg300 = ay0 * az0 * b0 * (ax3 + 3 * ax2 * bx1 + 3 * ax1 * bx2 + ax0 * bx3); qreal dg030 = ax0 * az0 * b0 * (ay3 + 3 * ay2 * by1 + 3 * ay1 * by2 + ay0 * by3); qreal dg003 = ax0 * ay0 * b0 * (az3 + 3 * az2 * bz1 + 3 * az1 * bz2 + az0 * bz3); qreal dg210 = az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (ay1 + ay0 * by1); qreal dg201 = ay0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (az1 + az0 * bz1); qreal dg120 = az0 * b0 * (ax1 + ax0 * bx1) * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg021 = ax0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2) * (az1 + az0 * bz1); qreal dg102 = ay0 * b0 * (ax1 + ax0 * bx1) * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg012 = ax0 * b0 * (ay1 + ay0 * by1) * (az2 + 2 * az1 * bz1 + az0 * bz2); // qreal dg111 = b0*(ax1+ax0*bx1)*(ay1+ay0*by1)*(az1+az0*bz1); for (qint64 m = 0; m < m_nmo; ++m) { m_cdg000(m) += m_coef(m, p) * dg000; m_cdg100(m) += m_coef(m, p) * dg100; m_cdg010(m) += m_coef(m, p) * dg010; m_cdg001(m) += m_coef(m, p) * dg001; m_cdg200(m) += m_coef(m, p) * dg200; m_cdg020(m) += m_coef(m, p) * dg020; m_cdg002(m) += m_coef(m, p) * dg002; m_cdg110(m) += m_coef(m, p) * dg110; m_cdg101(m) += m_coef(m, p) * dg101; m_cdg011(m) += m_coef(m, p) * dg011; m_cdg300(m) += m_coef(m, p) * dg300; m_cdg030(m) += m_coef(m, p) * dg030; m_cdg003(m) += m_coef(m, p) * dg003; m_cdg210(m) += m_coef(m, p) * dg210; m_cdg201(m) += m_coef(m, p) * dg201; m_cdg120(m) += m_coef(m, p) * dg120; m_cdg021(m) += m_coef(m, p) * dg021; m_cdg102(m) += m_coef(m, p) * dg102; m_cdg012(m) += m_coef(m, p) * dg012; // m_cdg111(m) += m_coef(m,p) * dg111; } } } qreal deriv300 = zero; qreal deriv030 = zero; qreal deriv003 = zero; qreal deriv210 = zero; qreal deriv201 = zero; qreal deriv120 = zero; qreal deriv021 = zero; qreal deriv102 = zero; qreal deriv012 = zero; // qreal deriv111=zero; for (qint64 m = 0; m < m_nmo; ++m) { deriv300 += (m_occno(m) * (6 * m_cdg100(m) * m_cdg200(m) + 2 * m_cdg000(m) * m_cdg300(m))); deriv030 += (m_occno(m) * (6 * m_cdg010(m) * m_cdg020(m) + 2 * m_cdg000(m) * m_cdg030(m))); deriv003 += (m_occno(m) * (6 * m_cdg001(m) * m_cdg002(m) + 2 * m_cdg000(m) * m_cdg003(m))); deriv210 += (m_occno(m) * (2 * (2 * m_cdg100(m) * m_cdg110(m) + m_cdg010(m) * m_cdg200(m) + m_cdg000(m) * m_cdg210(m)))); deriv201 += (m_occno(m) * (2 * (2 * m_cdg100(m) * m_cdg101(m) + m_cdg001(m) * m_cdg200(m) + m_cdg000(m) * m_cdg201(m)))); deriv120 += (m_occno(m) * (2 * (m_cdg020(m) * m_cdg100(m) + 2 * m_cdg010(m) * m_cdg110(m) + m_cdg000(m) * m_cdg120(m)))); deriv021 += (m_occno(m) * (2 * (2 * m_cdg010(m) * m_cdg011(m) + m_cdg001(m) * m_cdg020(m) + m_cdg000(m) * m_cdg021(m)))); deriv102 += (m_occno(m) * (2 * (m_cdg002(m) * m_cdg100(m) + 2 * m_cdg001(m) * m_cdg101(m) + m_cdg000(m) * m_cdg102(m)))); deriv012 += (m_occno(m) * (2 * (m_cdg002(m) * m_cdg010(m) + 2 * m_cdg001(m) * m_cdg011(m) + m_cdg000(m) * m_cdg012(m)))); // deriv111+=(m_occno(m)*( // 2*(m_cdg011(m)*m_cdg100(m)+m_cdg010(m)*m_cdg101(m)+m_cdg001(m)*m_cdg110(m)+m_cdg000(m)*m_cdg111(m)) // )); } value(0) = deriv300 + deriv120 + deriv102; value(1) = deriv210 + deriv030 + deriv012; value(2) = deriv201 + deriv021 + deriv003; return value; } Matrix QTAIMWavefunctionEvaluator::hessianOfElectronDensityLaplacian( const Matrix xyz) { Matrix value; const qreal zero = 0.0; const qreal one = 1.0; m_cdg000.setZero(); m_cdg100.setZero(); m_cdg010.setZero(); m_cdg001.setZero(); m_cdg200.setZero(); m_cdg020.setZero(); m_cdg002.setZero(); m_cdg110.setZero(); m_cdg101.setZero(); m_cdg011.setZero(); m_cdg300.setZero(); m_cdg120.setZero(); m_cdg102.setZero(); m_cdg210.setZero(); m_cdg030.setZero(); m_cdg012.setZero(); m_cdg201.setZero(); m_cdg021.setZero(); m_cdg003.setZero(); m_cdg111.setZero(); m_cdg400.setZero(); m_cdg040.setZero(); m_cdg004.setZero(); m_cdg310.setZero(); m_cdg301.setZero(); m_cdg130.setZero(); m_cdg031.setZero(); m_cdg103.setZero(); m_cdg013.setZero(); m_cdg220.setZero(); m_cdg202.setZero(); m_cdg022.setZero(); m_cdg211.setZero(); m_cdg121.setZero(); m_cdg112.setZero(); for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qint64 aax0 = 1; qint64 aay0 = 1; qint64 aaz0 = 1; qint64 aax1 = m_xamom(p); qint64 aay1 = m_yamom(p); qint64 aaz1 = m_zamom(p); qint64 aax2 = m_xamom(p) * (m_xamom(p) - 1); qint64 aay2 = m_yamom(p) * (m_yamom(p) - 1); qint64 aaz2 = m_zamom(p) * (m_zamom(p) - 1); qint64 aax3 = m_xamom(p) * (m_xamom(p) - 1) * (m_xamom(p) - 2); qint64 aay3 = m_yamom(p) * (m_yamom(p) - 1) * (m_yamom(p) - 2); qint64 aaz3 = m_zamom(p) * (m_zamom(p) - 1) * (m_zamom(p) - 2); qint64 aax4 = m_xamom(p) * (m_xamom(p) - 1) * (m_xamom(p) - 2) * (m_xamom(p) - 3); qint64 aay4 = m_yamom(p) * (m_yamom(p) - 1) * (m_yamom(p) - 2) * (m_xamom(p) - 3); qint64 aaz4 = m_zamom(p) * (m_zamom(p) - 1) * (m_zamom(p) - 2) * (m_xamom(p) - 3); qreal ax0 = aax0 * ipow(xx0, m_xamom(p)); qreal ay0 = aay0 * ipow(yy0, m_yamom(p)); qreal az0 = aaz0 * ipow(zz0, m_zamom(p)); qreal ax1; qreal ay1; qreal az1; if (m_xamom(p) < 1) { ax1 = zero; } else if (m_xamom(p) == 1) { ax1 = one; } else { ax1 = aax1 * ipow(xx0, m_xamom(p) - 1); } if (m_yamom(p) < 1) { ay1 = zero; } else if (m_yamom(p) == 1) { ay1 = one; } else { ay1 = aay1 * ipow(yy0, m_yamom(p) - 1); } if (m_zamom(p) < 1) { az1 = zero; } else if (m_zamom(p) == 1) { az1 = one; } else { az1 = aaz1 * ipow(zz0, m_zamom(p) - 1); } qreal ax2; qreal ay2; qreal az2; if (m_xamom(p) < 2) { ax2 = zero; } else if (m_xamom(p) == 2) { ax2 = one; } else { ax2 = aax2 * ipow(xx0, m_xamom(p) - 2); } if (m_yamom(p) < 2) { ay2 = zero; } else if (m_yamom(p) == 2) { ay2 = one; } else { ay2 = aay2 * ipow(yy0, m_yamom(p) - 2); } if (m_zamom(p) < 2) { az2 = zero; } else if (m_zamom(p) == 2) { az2 = one; } else { az2 = aaz2 * ipow(zz0, m_zamom(p) - 2); } qreal ax3; qreal ay3; qreal az3; if (m_xamom(p) < 3) { ax3 = zero; } else if (m_xamom(p) == 3) { ax3 = one; } else { ax3 = aax3 * ipow(xx0, m_xamom(p) - 3); } if (m_yamom(p) < 3) { ay3 = zero; } else if (m_yamom(p) == 3) { ay3 = one; } else { ay3 = aay3 * ipow(yy0, m_yamom(p) - 3); } if (m_zamom(p) < 3) { az3 = zero; } else if (m_zamom(p) == 3) { az3 = one; } else { az3 = aaz3 * ipow(zz0, m_zamom(p) - 3); } qreal ax4; qreal ay4; qreal az4; if (m_xamom(p) < 4) { ax4 = zero; } else if (m_xamom(p) == 4) { ax4 = one; } else { ax4 = aax4 * ipow(xx0, m_xamom(p) - 4); } if (m_yamom(p) < 4) { ay4 = zero; } else if (m_yamom(p) == 4) { ay4 = one; } else { ay4 = aay4 * ipow(yy0, m_yamom(p) - 4); } if (m_zamom(p) < 4) { az4 = zero; } else if (m_zamom(p) == 4) { az4 = one; } else { az4 = aaz4 * ipow(zz0, m_zamom(p) - 4); } qreal b0 = exp(b0arg); qreal bx1 = -2 * m_alpha(p) * xx0; qreal by1 = -2 * m_alpha(p) * yy0; qreal bz1 = -2 * m_alpha(p) * zz0; qreal bx2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(xx0, 2)); qreal by2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(yy0, 2)); qreal bz2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(zz0, 2)); qreal bx3 = (12 * ipow(m_alpha(p), 2) * xx0) - (8 * ipow(m_alpha(p), 3) * ipow(xx0, 3)); qreal by3 = (12 * ipow(m_alpha(p), 2) * yy0) - (8 * ipow(m_alpha(p), 3) * ipow(yy0, 3)); qreal bz3 = (12 * ipow(m_alpha(p), 2) * zz0) - (8 * ipow(m_alpha(p), 3) * ipow(zz0, 3)); qreal bx4 = (12 * ipow(m_alpha(p), 2)) - (48 * ipow(m_alpha(p), 3) * ipow(xx0, 2)) + (16 * ipow(m_alpha(p), 4) * ipow(xx0, 4)); qreal by4 = (12 * ipow(m_alpha(p), 2)) - (48 * ipow(m_alpha(p), 3) * ipow(yy0, 2)) + (16 * ipow(m_alpha(p), 4) * ipow(yy0, 4)); qreal bz4 = (12 * ipow(m_alpha(p), 2)) - (48 * ipow(m_alpha(p), 3) * ipow(zz0, 2)) + (16 * ipow(m_alpha(p), 4) * ipow(zz0, 4)); qreal dg000 = ax0 * ay0 * az0 * b0; qreal dg100 = ay0 * az0 * b0 * (ax1 + ax0 * bx1); qreal dg010 = ax0 * az0 * b0 * (ay1 + ay0 * by1); qreal dg001 = ax0 * ay0 * b0 * (az1 + az0 * bz1); qreal dg200 = ay0 * az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2); qreal dg020 = ax0 * az0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg002 = ax0 * ay0 * b0 * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg110 = az0 * b0 * (ax1 + ax0 * bx1) * (ay1 + ay0 * by1); qreal dg101 = ay0 * b0 * (ax1 + ax0 * bx1) * (az1 + az0 * bz1); qreal dg011 = ax0 * b0 * (ay1 + ay0 * by1) * (az1 + az0 * bz1); qreal dg300 = ay0 * az0 * b0 * (ax3 + 3 * ax2 * bx1 + 3 * ax1 * bx2 + ax0 * bx3); qreal dg030 = ax0 * az0 * b0 * (ay3 + 3 * ay2 * by1 + 3 * ay1 * by2 + ay0 * by3); qreal dg003 = ax0 * ay0 * b0 * (az3 + 3 * az2 * bz1 + 3 * az1 * bz2 + az0 * bz3); qreal dg210 = az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (ay1 + ay0 * by1); qreal dg201 = ay0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (az1 + az0 * bz1); qreal dg120 = az0 * b0 * (ax1 + ax0 * bx1) * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg021 = ax0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2) * (az1 + az0 * bz1); qreal dg102 = ay0 * b0 * (ax1 + ax0 * bx1) * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg012 = ax0 * b0 * (ay1 + ay0 * by1) * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg111 = b0 * (ax1 + ax0 * bx1) * (ay1 + ay0 * by1) * (az1 + az0 * bz1); qreal dg400 = ay0 * az0 * b0 * (ax4 + 4 * ax3 * bx1 + 6 * ax2 * bx2 + 4 * ax1 * bx3 + ax0 * bx4); qreal dg040 = ax0 * az0 * b0 * (ay4 + 4 * ay3 * by1 + 6 * ay2 * by2 + 4 * ay1 * by3 + ay0 * by4); qreal dg004 = ax0 * ay0 * b0 * (az4 + 4 * az3 * bz1 + 6 * az2 * bz2 + 4 * az1 * bz3 + az0 * bz4); qreal dg310 = az0 * b0 * (ax3 + 3 * ax2 * bx1 + 3 * ax1 * bx2 + ax0 * bx3) * (ay1 + ay0 * by1); qreal dg301 = ay0 * b0 * (ax3 + 3 * ax2 * bx1 + 3 * ax1 * bx2 + ax0 * bx3) * (az1 + az0 * bz1); qreal dg130 = az0 * b0 * (ax1 + ax0 * bx1) * (ay3 + 3 * ay2 * by1 + 3 * ay1 * by2 + ay0 * by3); qreal dg031 = ax0 * b0 * (ay3 + 3 * ay2 * by1 + 3 * ay1 * by2 + ay0 * by3) * (az1 + az0 * bz1); qreal dg103 = ay0 * b0 * (ax1 + ax0 * bx1) * (az3 + 3 * az2 * bz1 + 3 * az1 * bz2 + az0 * bz3); qreal dg013 = ax0 * b0 * (ay1 + ay0 * by1) * (az3 + 3 * az2 * bz1 + 3 * az1 * bz2 + az0 * bz3); qreal dg220 = az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg202 = ay0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg022 = ax0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2) * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg211 = b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (ay1 + ay0 * by1) * (az1 + az0 * bz1); qreal dg121 = b0 * (ax1 + ax0 * bx1) * (ay2 + 2 * ay1 * by1 + ay0 * by2) * (az1 + az0 * bz1); qreal dg112 = b0 * (ax1 + ax0 * bx1) * (ay1 + ay0 * by1) * (az2 + 2 * az1 * bz1 + az0 * bz2); for (qint64 m = 0; m < m_nmo; ++m) { m_cdg000(m) += m_coef(m, p) * dg000; m_cdg100(m) += m_coef(m, p) * dg100; m_cdg010(m) += m_coef(m, p) * dg010; m_cdg001(m) += m_coef(m, p) * dg001; m_cdg200(m) += m_coef(m, p) * dg200; m_cdg020(m) += m_coef(m, p) * dg020; m_cdg002(m) += m_coef(m, p) * dg002; m_cdg110(m) += m_coef(m, p) * dg110; m_cdg101(m) += m_coef(m, p) * dg101; m_cdg011(m) += m_coef(m, p) * dg011; m_cdg300(m) += m_coef(m, p) * dg300; m_cdg030(m) += m_coef(m, p) * dg030; m_cdg003(m) += m_coef(m, p) * dg003; m_cdg210(m) += m_coef(m, p) * dg210; m_cdg201(m) += m_coef(m, p) * dg201; m_cdg120(m) += m_coef(m, p) * dg120; m_cdg021(m) += m_coef(m, p) * dg021; m_cdg102(m) += m_coef(m, p) * dg102; m_cdg012(m) += m_coef(m, p) * dg012; m_cdg111(m) += m_coef(m, p) * dg111; m_cdg400(m) += m_coef(m, p) * dg400; m_cdg040(m) += m_coef(m, p) * dg040; m_cdg004(m) += m_coef(m, p) * dg004; m_cdg310(m) += m_coef(m, p) * dg310; m_cdg301(m) += m_coef(m, p) * dg301; m_cdg130(m) += m_coef(m, p) * dg130; m_cdg031(m) += m_coef(m, p) * dg031; m_cdg103(m) += m_coef(m, p) * dg103; m_cdg013(m) += m_coef(m, p) * dg013; m_cdg220(m) += m_coef(m, p) * dg220; m_cdg202(m) += m_coef(m, p) * dg202; m_cdg022(m) += m_coef(m, p) * dg022; m_cdg211(m) += m_coef(m, p) * dg211; m_cdg121(m) += m_coef(m, p) * dg121; m_cdg112(m) += m_coef(m, p) * dg112; } } } qreal deriv400 = zero; qreal deriv040 = zero; qreal deriv004 = zero; qreal deriv310 = zero; qreal deriv301 = zero; qreal deriv130 = zero; qreal deriv031 = zero; qreal deriv103 = zero; qreal deriv013 = zero; qreal deriv220 = zero; qreal deriv202 = zero; qreal deriv022 = zero; qreal deriv211 = zero; qreal deriv121 = zero; qreal deriv112 = zero; for (qint64 m = 0; m < m_nmo; ++m) { deriv400 += (m_occno(m) * (6 * ipow(m_cdg200(m), 2) + 8 * m_cdg100(m) * m_cdg300(m) + 2 * m_cdg000(m) * m_cdg400(m))); deriv040 += (m_occno(m) * (6 * ipow(m_cdg020(m), 2) + 8 * m_cdg010(m) * m_cdg030(m) + 2 * m_cdg000(m) * m_cdg040(m))); deriv004 += (m_occno(m) * (6 * ipow(m_cdg002(m), 2) + 8 * m_cdg001(m) * m_cdg003(m) + 2 * m_cdg000(m) * m_cdg004(m))); deriv310 += (m_occno(m) * (2 * (3 * m_cdg110(m) * m_cdg200(m) + 3 * m_cdg100(m) * m_cdg210(m) + m_cdg010(m) * m_cdg300(m) + m_cdg000(m) * m_cdg310(m)))); deriv301 += (m_occno(m) * (2 * (3 * m_cdg101(m) * m_cdg200(m) + 3 * m_cdg100(m) * m_cdg201(m) + m_cdg001(m) * m_cdg300(m) + m_cdg000(m) * m_cdg301(m)))); deriv130 += (m_occno(m) * (2 * (m_cdg030(m) * m_cdg100(m) + 3 * m_cdg020(m) * m_cdg110(m) + 3 * m_cdg010(m) * m_cdg120(m) + m_cdg000(m) * m_cdg130(m)))); deriv031 += (m_occno(m) * (2 * (3 * m_cdg011(m) * m_cdg020(m) + 3 * m_cdg010(m) * m_cdg021(m) + m_cdg001(m) * m_cdg030(m) + m_cdg000(m) * m_cdg031(m)))); deriv103 += (m_occno(m) * (2 * (m_cdg003(m) * m_cdg100(m) + 3 * m_cdg002(m) * m_cdg101(m) + 3 * m_cdg001(m) * m_cdg102(m) + m_cdg000(m) * m_cdg103(m)))); deriv013 += (m_occno(m) * (2 * (m_cdg003(m) * m_cdg010(m) + 3 * m_cdg002(m) * m_cdg011(m) + 3 * m_cdg001(m) * m_cdg012(m) + m_cdg000(m) * m_cdg013(m)))); deriv220 += (m_occno(m) * (2 * (2 * ipow(m_cdg110(m), 2) + 2 * m_cdg100(m) * m_cdg120(m) + m_cdg020(m) * m_cdg200(m) + 2 * m_cdg010(m) * m_cdg210(m) + m_cdg000(m) * m_cdg220(m)))); deriv202 += (m_occno(m) * (2 * (2 * ipow(m_cdg101(m), 2) + 2 * m_cdg100(m) * m_cdg102(m) + m_cdg002(m) * m_cdg200(m) + 2 * m_cdg001(m) * m_cdg201(m) + m_cdg000(m) * m_cdg202(m)))); deriv022 += (m_occno(m) * (2 * (2 * ipow(m_cdg011(m), 2) + 2 * m_cdg010(m) * m_cdg012(m) + m_cdg002(m) * m_cdg020(m) + 2 * m_cdg001(m) * m_cdg021(m) + m_cdg000(m) * m_cdg022(m)))); deriv211 += (m_occno(m) * (2 * (2 * m_cdg101(m) * m_cdg110(m) + 2 * m_cdg100(m) * m_cdg111(m) + m_cdg011(m) * m_cdg200(m) + m_cdg010(m) * m_cdg201(m) + m_cdg001(m) * m_cdg210(m) + m_cdg000(m) * m_cdg211(m)))); deriv121 += (m_occno(m) * (2 * (m_cdg021(m) * m_cdg100(m) + m_cdg020(m) * m_cdg101(m) + 2 * m_cdg011(m) * m_cdg110(m) + 2 * m_cdg010(m) * m_cdg111(m) + m_cdg001(m) * m_cdg120(m) + m_cdg000(m) * m_cdg121(m)))); deriv112 += (m_occno(m) * (2 * (m_cdg012(m) * m_cdg100(m) + 2 * m_cdg011(m) * m_cdg101(m) + m_cdg010(m) * m_cdg102(m) + m_cdg002(m) * m_cdg110(m) + 2 * m_cdg001(m) * m_cdg111(m) + m_cdg000(m) * m_cdg112(m)))); } value(0, 0) = deriv400 + deriv220 + deriv202; value(1, 1) = deriv220 + deriv040 + deriv022; value(2, 2) = deriv202 + deriv022 + deriv004; value(0, 1) = deriv310 + deriv130 + deriv112; value(0, 2) = deriv301 + deriv121 + deriv103; value(1, 2) = deriv211 + deriv031 + deriv013; value(1, 0) = value(0, 1); value(2, 0) = value(0, 2); value(2, 1) = value(1, 2); return value; } Matrix QTAIMWavefunctionEvaluator::gradientAndHessianOfElectronDensityLaplacian( const Matrix xyz) { Matrix gValue; Matrix hValue; Matrix value; const qreal zero = 0.0; const qreal one = 1.0; m_cdg000.setZero(); m_cdg100.setZero(); m_cdg010.setZero(); m_cdg001.setZero(); m_cdg200.setZero(); m_cdg020.setZero(); m_cdg002.setZero(); m_cdg110.setZero(); m_cdg101.setZero(); m_cdg011.setZero(); m_cdg300.setZero(); m_cdg120.setZero(); m_cdg102.setZero(); m_cdg210.setZero(); m_cdg030.setZero(); m_cdg012.setZero(); m_cdg201.setZero(); m_cdg021.setZero(); m_cdg003.setZero(); m_cdg111.setZero(); m_cdg400.setZero(); m_cdg040.setZero(); m_cdg004.setZero(); m_cdg310.setZero(); m_cdg301.setZero(); m_cdg130.setZero(); m_cdg031.setZero(); m_cdg103.setZero(); m_cdg013.setZero(); m_cdg220.setZero(); m_cdg202.setZero(); m_cdg022.setZero(); m_cdg211.setZero(); m_cdg121.setZero(); m_cdg112.setZero(); for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qint64 aax0 = 1; qint64 aay0 = 1; qint64 aaz0 = 1; qint64 aax1 = m_xamom(p); qint64 aay1 = m_yamom(p); qint64 aaz1 = m_zamom(p); qint64 aax2 = m_xamom(p) * (m_xamom(p) - 1); qint64 aay2 = m_yamom(p) * (m_yamom(p) - 1); qint64 aaz2 = m_zamom(p) * (m_zamom(p) - 1); qint64 aax3 = m_xamom(p) * (m_xamom(p) - 1) * (m_xamom(p) - 2); qint64 aay3 = m_yamom(p) * (m_yamom(p) - 1) * (m_yamom(p) - 2); qint64 aaz3 = m_zamom(p) * (m_zamom(p) - 1) * (m_zamom(p) - 2); qint64 aax4 = m_xamom(p) * (m_xamom(p) - 1) * (m_xamom(p) - 2) * (m_xamom(p) - 3); qint64 aay4 = m_yamom(p) * (m_yamom(p) - 1) * (m_yamom(p) - 2) * (m_xamom(p) - 3); qint64 aaz4 = m_zamom(p) * (m_zamom(p) - 1) * (m_zamom(p) - 2) * (m_xamom(p) - 3); qreal ax0 = aax0 * ipow(xx0, m_xamom(p)); qreal ay0 = aay0 * ipow(yy0, m_yamom(p)); qreal az0 = aaz0 * ipow(zz0, m_zamom(p)); qreal ax1; qreal ay1; qreal az1; if (m_xamom(p) < 1) { ax1 = zero; } else if (m_xamom(p) == 1) { ax1 = one; } else { ax1 = aax1 * ipow(xx0, m_xamom(p) - 1); } if (m_yamom(p) < 1) { ay1 = zero; } else if (m_yamom(p) == 1) { ay1 = one; } else { ay1 = aay1 * ipow(yy0, m_yamom(p) - 1); } if (m_zamom(p) < 1) { az1 = zero; } else if (m_zamom(p) == 1) { az1 = one; } else { az1 = aaz1 * ipow(zz0, m_zamom(p) - 1); } qreal ax2; qreal ay2; qreal az2; if (m_xamom(p) < 2) { ax2 = zero; } else if (m_xamom(p) == 2) { ax2 = one; } else { ax2 = aax2 * ipow(xx0, m_xamom(p) - 2); } if (m_yamom(p) < 2) { ay2 = zero; } else if (m_yamom(p) == 2) { ay2 = one; } else { ay2 = aay2 * ipow(yy0, m_yamom(p) - 2); } if (m_zamom(p) < 2) { az2 = zero; } else if (m_zamom(p) == 2) { az2 = one; } else { az2 = aaz2 * ipow(zz0, m_zamom(p) - 2); } qreal ax3; qreal ay3; qreal az3; if (m_xamom(p) < 3) { ax3 = zero; } else if (m_xamom(p) == 3) { ax3 = one; } else { ax3 = aax3 * ipow(xx0, m_xamom(p) - 3); } if (m_yamom(p) < 3) { ay3 = zero; } else if (m_yamom(p) == 3) { ay3 = one; } else { ay3 = aay3 * ipow(yy0, m_yamom(p) - 3); } if (m_zamom(p) < 3) { az3 = zero; } else if (m_zamom(p) == 3) { az3 = one; } else { az3 = aaz3 * ipow(zz0, m_zamom(p) - 3); } qreal ax4; qreal ay4; qreal az4; if (m_xamom(p) < 4) { ax4 = zero; } else if (m_xamom(p) == 4) { ax4 = one; } else { ax4 = aax4 * ipow(xx0, m_xamom(p) - 4); } if (m_yamom(p) < 4) { ay4 = zero; } else if (m_yamom(p) == 4) { ay4 = one; } else { ay4 = aay4 * ipow(yy0, m_yamom(p) - 4); } if (m_zamom(p) < 4) { az4 = zero; } else if (m_zamom(p) == 4) { az4 = one; } else { az4 = aaz4 * ipow(zz0, m_zamom(p) - 4); } qreal b0 = exp(b0arg); qreal bx1 = -2 * m_alpha(p) * xx0; qreal by1 = -2 * m_alpha(p) * yy0; qreal bz1 = -2 * m_alpha(p) * zz0; qreal bx2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(xx0, 2)); qreal by2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(yy0, 2)); qreal bz2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(zz0, 2)); qreal bx3 = (12 * ipow(m_alpha(p), 2) * xx0) - (8 * ipow(m_alpha(p), 3) * ipow(xx0, 3)); qreal by3 = (12 * ipow(m_alpha(p), 2) * yy0) - (8 * ipow(m_alpha(p), 3) * ipow(yy0, 3)); qreal bz3 = (12 * ipow(m_alpha(p), 2) * zz0) - (8 * ipow(m_alpha(p), 3) * ipow(zz0, 3)); qreal bx4 = (12 * ipow(m_alpha(p), 2)) - (48 * ipow(m_alpha(p), 3) * ipow(xx0, 2)) + (16 * ipow(m_alpha(p), 4) * ipow(xx0, 4)); qreal by4 = (12 * ipow(m_alpha(p), 2)) - (48 * ipow(m_alpha(p), 3) * ipow(yy0, 2)) + (16 * ipow(m_alpha(p), 4) * ipow(yy0, 4)); qreal bz4 = (12 * ipow(m_alpha(p), 2)) - (48 * ipow(m_alpha(p), 3) * ipow(zz0, 2)) + (16 * ipow(m_alpha(p), 4) * ipow(zz0, 4)); qreal dg000 = ax0 * ay0 * az0 * b0; qreal dg100 = ay0 * az0 * b0 * (ax1 + ax0 * bx1); qreal dg010 = ax0 * az0 * b0 * (ay1 + ay0 * by1); qreal dg001 = ax0 * ay0 * b0 * (az1 + az0 * bz1); qreal dg200 = ay0 * az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2); qreal dg020 = ax0 * az0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg002 = ax0 * ay0 * b0 * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg110 = az0 * b0 * (ax1 + ax0 * bx1) * (ay1 + ay0 * by1); qreal dg101 = ay0 * b0 * (ax1 + ax0 * bx1) * (az1 + az0 * bz1); qreal dg011 = ax0 * b0 * (ay1 + ay0 * by1) * (az1 + az0 * bz1); qreal dg300 = ay0 * az0 * b0 * (ax3 + 3 * ax2 * bx1 + 3 * ax1 * bx2 + ax0 * bx3); qreal dg030 = ax0 * az0 * b0 * (ay3 + 3 * ay2 * by1 + 3 * ay1 * by2 + ay0 * by3); qreal dg003 = ax0 * ay0 * b0 * (az3 + 3 * az2 * bz1 + 3 * az1 * bz2 + az0 * bz3); qreal dg210 = az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (ay1 + ay0 * by1); qreal dg201 = ay0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (az1 + az0 * bz1); qreal dg120 = az0 * b0 * (ax1 + ax0 * bx1) * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg021 = ax0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2) * (az1 + az0 * bz1); qreal dg102 = ay0 * b0 * (ax1 + ax0 * bx1) * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg012 = ax0 * b0 * (ay1 + ay0 * by1) * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg111 = b0 * (ax1 + ax0 * bx1) * (ay1 + ay0 * by1) * (az1 + az0 * bz1); qreal dg400 = ay0 * az0 * b0 * (ax4 + 4 * ax3 * bx1 + 6 * ax2 * bx2 + 4 * ax1 * bx3 + ax0 * bx4); qreal dg040 = ax0 * az0 * b0 * (ay4 + 4 * ay3 * by1 + 6 * ay2 * by2 + 4 * ay1 * by3 + ay0 * by4); qreal dg004 = ax0 * ay0 * b0 * (az4 + 4 * az3 * bz1 + 6 * az2 * bz2 + 4 * az1 * bz3 + az0 * bz4); qreal dg310 = az0 * b0 * (ax3 + 3 * ax2 * bx1 + 3 * ax1 * bx2 + ax0 * bx3) * (ay1 + ay0 * by1); qreal dg301 = ay0 * b0 * (ax3 + 3 * ax2 * bx1 + 3 * ax1 * bx2 + ax0 * bx3) * (az1 + az0 * bz1); qreal dg130 = az0 * b0 * (ax1 + ax0 * bx1) * (ay3 + 3 * ay2 * by1 + 3 * ay1 * by2 + ay0 * by3); qreal dg031 = ax0 * b0 * (ay3 + 3 * ay2 * by1 + 3 * ay1 * by2 + ay0 * by3) * (az1 + az0 * bz1); qreal dg103 = ay0 * b0 * (ax1 + ax0 * bx1) * (az3 + 3 * az2 * bz1 + 3 * az1 * bz2 + az0 * bz3); qreal dg013 = ax0 * b0 * (ay1 + ay0 * by1) * (az3 + 3 * az2 * bz1 + 3 * az1 * bz2 + az0 * bz3); qreal dg220 = az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg202 = ay0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg022 = ax0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2) * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg211 = b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2) * (ay1 + ay0 * by1) * (az1 + az0 * bz1); qreal dg121 = b0 * (ax1 + ax0 * bx1) * (ay2 + 2 * ay1 * by1 + ay0 * by2) * (az1 + az0 * bz1); qreal dg112 = b0 * (ax1 + ax0 * bx1) * (ay1 + ay0 * by1) * (az2 + 2 * az1 * bz1 + az0 * bz2); for (qint64 m = 0; m < m_nmo; ++m) { m_cdg000(m) += m_coef(m, p) * dg000; m_cdg100(m) += m_coef(m, p) * dg100; m_cdg010(m) += m_coef(m, p) * dg010; m_cdg001(m) += m_coef(m, p) * dg001; m_cdg200(m) += m_coef(m, p) * dg200; m_cdg020(m) += m_coef(m, p) * dg020; m_cdg002(m) += m_coef(m, p) * dg002; m_cdg110(m) += m_coef(m, p) * dg110; m_cdg101(m) += m_coef(m, p) * dg101; m_cdg011(m) += m_coef(m, p) * dg011; m_cdg300(m) += m_coef(m, p) * dg300; m_cdg030(m) += m_coef(m, p) * dg030; m_cdg003(m) += m_coef(m, p) * dg003; m_cdg210(m) += m_coef(m, p) * dg210; m_cdg201(m) += m_coef(m, p) * dg201; m_cdg120(m) += m_coef(m, p) * dg120; m_cdg021(m) += m_coef(m, p) * dg021; m_cdg102(m) += m_coef(m, p) * dg102; m_cdg012(m) += m_coef(m, p) * dg012; m_cdg111(m) += m_coef(m, p) * dg111; m_cdg400(m) += m_coef(m, p) * dg400; m_cdg040(m) += m_coef(m, p) * dg040; m_cdg004(m) += m_coef(m, p) * dg004; m_cdg310(m) += m_coef(m, p) * dg310; m_cdg301(m) += m_coef(m, p) * dg301; m_cdg130(m) += m_coef(m, p) * dg130; m_cdg031(m) += m_coef(m, p) * dg031; m_cdg103(m) += m_coef(m, p) * dg103; m_cdg013(m) += m_coef(m, p) * dg013; m_cdg220(m) += m_coef(m, p) * dg220; m_cdg202(m) += m_coef(m, p) * dg202; m_cdg022(m) += m_coef(m, p) * dg022; m_cdg211(m) += m_coef(m, p) * dg211; m_cdg121(m) += m_coef(m, p) * dg121; m_cdg112(m) += m_coef(m, p) * dg112; } } } qreal deriv300 = zero; qreal deriv030 = zero; qreal deriv003 = zero; qreal deriv210 = zero; qreal deriv201 = zero; qreal deriv120 = zero; qreal deriv021 = zero; qreal deriv102 = zero; qreal deriv012 = zero; qreal deriv400 = zero; qreal deriv040 = zero; qreal deriv004 = zero; qreal deriv310 = zero; qreal deriv301 = zero; qreal deriv130 = zero; qreal deriv031 = zero; qreal deriv103 = zero; qreal deriv013 = zero; qreal deriv220 = zero; qreal deriv202 = zero; qreal deriv022 = zero; qreal deriv211 = zero; qreal deriv121 = zero; qreal deriv112 = zero; for (qint64 m = 0; m < m_nmo; ++m) { deriv300 += (m_occno(m) * (6 * m_cdg100(m) * m_cdg200(m) + 2 * m_cdg000(m) * m_cdg300(m))); deriv030 += (m_occno(m) * (6 * m_cdg010(m) * m_cdg020(m) + 2 * m_cdg000(m) * m_cdg030(m))); deriv003 += (m_occno(m) * (6 * m_cdg001(m) * m_cdg002(m) + 2 * m_cdg000(m) * m_cdg003(m))); deriv210 += (m_occno(m) * (2 * (2 * m_cdg100(m) * m_cdg110(m) + m_cdg010(m) * m_cdg200(m) + m_cdg000(m) * m_cdg210(m)))); deriv201 += (m_occno(m) * (2 * (2 * m_cdg100(m) * m_cdg101(m) + m_cdg001(m) * m_cdg200(m) + m_cdg000(m) * m_cdg201(m)))); deriv120 += (m_occno(m) * (2 * (m_cdg020(m) * m_cdg100(m) + 2 * m_cdg010(m) * m_cdg110(m) + m_cdg000(m) * m_cdg120(m)))); deriv021 += (m_occno(m) * (2 * (2 * m_cdg010(m) * m_cdg011(m) + m_cdg001(m) * m_cdg020(m) + m_cdg000(m) * m_cdg021(m)))); deriv102 += (m_occno(m) * (2 * (m_cdg002(m) * m_cdg100(m) + 2 * m_cdg001(m) * m_cdg101(m) + m_cdg000(m) * m_cdg102(m)))); deriv012 += (m_occno(m) * (2 * (m_cdg002(m) * m_cdg010(m) + 2 * m_cdg001(m) * m_cdg011(m) + m_cdg000(m) * m_cdg012(m)))); // deriv111+=(m_occno(m)*( // 2*(m_cdg011(m)*m_cdg100(m)+m_cdg010(m)*m_cdg101(m)+m_cdg001(m)*m_cdg110(m)+m_cdg000(m)*m_cdg111(m)) // )); deriv400 += (m_occno(m) * (6 * ipow(m_cdg200(m), 2) + 8 * m_cdg100(m) * m_cdg300(m) + 2 * m_cdg000(m) * m_cdg400(m))); deriv040 += (m_occno(m) * (6 * ipow(m_cdg020(m), 2) + 8 * m_cdg010(m) * m_cdg030(m) + 2 * m_cdg000(m) * m_cdg040(m))); deriv004 += (m_occno(m) * (6 * ipow(m_cdg002(m), 2) + 8 * m_cdg001(m) * m_cdg003(m) + 2 * m_cdg000(m) * m_cdg004(m))); deriv310 += (m_occno(m) * (2 * (3 * m_cdg110(m) * m_cdg200(m) + 3 * m_cdg100(m) * m_cdg210(m) + m_cdg010(m) * m_cdg300(m) + m_cdg000(m) * m_cdg310(m)))); deriv301 += (m_occno(m) * (2 * (3 * m_cdg101(m) * m_cdg200(m) + 3 * m_cdg100(m) * m_cdg201(m) + m_cdg001(m) * m_cdg300(m) + m_cdg000(m) * m_cdg301(m)))); deriv130 += (m_occno(m) * (2 * (m_cdg030(m) * m_cdg100(m) + 3 * m_cdg020(m) * m_cdg110(m) + 3 * m_cdg010(m) * m_cdg120(m) + m_cdg000(m) * m_cdg130(m)))); deriv031 += (m_occno(m) * (2 * (3 * m_cdg011(m) * m_cdg020(m) + 3 * m_cdg010(m) * m_cdg021(m) + m_cdg001(m) * m_cdg030(m) + m_cdg000(m) * m_cdg031(m)))); deriv103 += (m_occno(m) * (2 * (m_cdg003(m) * m_cdg100(m) + 3 * m_cdg002(m) * m_cdg101(m) + 3 * m_cdg001(m) * m_cdg102(m) + m_cdg000(m) * m_cdg103(m)))); deriv013 += (m_occno(m) * (2 * (m_cdg003(m) * m_cdg010(m) + 3 * m_cdg002(m) * m_cdg011(m) + 3 * m_cdg001(m) * m_cdg012(m) + m_cdg000(m) * m_cdg013(m)))); deriv220 += (m_occno(m) * (2 * (2 * ipow(m_cdg110(m), 2) + 2 * m_cdg100(m) * m_cdg120(m) + m_cdg020(m) * m_cdg200(m) + 2 * m_cdg010(m) * m_cdg210(m) + m_cdg000(m) * m_cdg220(m)))); deriv202 += (m_occno(m) * (2 * (2 * ipow(m_cdg101(m), 2) + 2 * m_cdg100(m) * m_cdg102(m) + m_cdg002(m) * m_cdg200(m) + 2 * m_cdg001(m) * m_cdg201(m) + m_cdg000(m) * m_cdg202(m)))); deriv022 += (m_occno(m) * (2 * (2 * ipow(m_cdg011(m), 2) + 2 * m_cdg010(m) * m_cdg012(m) + m_cdg002(m) * m_cdg020(m) + 2 * m_cdg001(m) * m_cdg021(m) + m_cdg000(m) * m_cdg022(m)))); deriv211 += (m_occno(m) * (2 * (2 * m_cdg101(m) * m_cdg110(m) + 2 * m_cdg100(m) * m_cdg111(m) + m_cdg011(m) * m_cdg200(m) + m_cdg010(m) * m_cdg201(m) + m_cdg001(m) * m_cdg210(m) + m_cdg000(m) * m_cdg211(m)))); deriv121 += (m_occno(m) * (2 * (m_cdg021(m) * m_cdg100(m) + m_cdg020(m) * m_cdg101(m) + 2 * m_cdg011(m) * m_cdg110(m) + 2 * m_cdg010(m) * m_cdg111(m) + m_cdg001(m) * m_cdg120(m) + m_cdg000(m) * m_cdg121(m)))); deriv112 += (m_occno(m) * (2 * (m_cdg012(m) * m_cdg100(m) + 2 * m_cdg011(m) * m_cdg101(m) + m_cdg010(m) * m_cdg102(m) + m_cdg002(m) * m_cdg110(m) + 2 * m_cdg001(m) * m_cdg111(m) + m_cdg000(m) * m_cdg112(m)))); } gValue(0) = deriv300 + deriv120 + deriv102; gValue(1) = deriv210 + deriv030 + deriv012; gValue(2) = deriv201 + deriv021 + deriv003; hValue(0, 0) = deriv400 + deriv220 + deriv202; hValue(1, 1) = deriv220 + deriv040 + deriv022; hValue(2, 2) = deriv202 + deriv022 + deriv004; hValue(0, 1) = deriv310 + deriv130 + deriv112; hValue(0, 2) = deriv301 + deriv121 + deriv103; hValue(1, 2) = deriv211 + deriv031 + deriv013; hValue(1, 0) = hValue(0, 1); hValue(2, 0) = hValue(0, 2); hValue(2, 1) = hValue(1, 2); value(0, 0) = gValue(0); value(1, 0) = gValue(1); value(2, 0) = gValue(2); value(0, 1) = hValue(0, 0); value(1, 1) = hValue(1, 0); value(2, 1) = hValue(2, 0); value(0, 2) = hValue(0, 1); value(1, 2) = hValue(1, 1); value(2, 2) = hValue(2, 1); value(0, 3) = hValue(0, 2); value(1, 3) = hValue(1, 2); value(2, 3) = hValue(2, 2); return value; } qreal QTAIMWavefunctionEvaluator::kineticEnergyDensityG(Matrix xyz) { qreal value; const qreal zero = 0.0; const qreal one = 1.0; m_cdg000.setZero(); m_cdg100.setZero(); m_cdg010.setZero(); m_cdg001.setZero(); for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qint64 aax0 = 1; qint64 aay0 = 1; qint64 aaz0 = 1; qint64 aax1 = m_xamom(p); qint64 aay1 = m_yamom(p); qint64 aaz1 = m_zamom(p); qreal ax0 = aax0 * ipow(xx0, m_xamom(p)); qreal ay0 = aay0 * ipow(yy0, m_yamom(p)); qreal az0 = aaz0 * ipow(zz0, m_zamom(p)); qreal ax1; qreal ay1; qreal az1; if (m_xamom(p) < 1) { ax1 = zero; } else if (m_xamom(p) == 1) { ax1 = one; } else { ax1 = aax1 * ipow(xx0, m_xamom(p) - 1); } if (m_yamom(p) < 1) { ay1 = zero; } else if (m_yamom(p) == 1) { ay1 = one; } else { ay1 = aay1 * ipow(yy0, m_yamom(p) - 1); } if (m_zamom(p) < 1) { az1 = zero; } else if (m_zamom(p) == 1) { az1 = one; } else { az1 = aaz1 * ipow(zz0, m_zamom(p) - 1); } qreal b0 = exp(b0arg); qreal bx1 = -2 * m_alpha(p) * xx0; qreal by1 = -2 * m_alpha(p) * yy0; qreal bz1 = -2 * m_alpha(p) * zz0; qreal dg000 = ax0 * ay0 * az0 * b0; qreal dg100 = ay0 * az0 * b0 * (ax1 + ax0 * bx1); qreal dg010 = ax0 * az0 * b0 * (ay1 + ay0 * by1); qreal dg001 = ax0 * ay0 * b0 * (az1 + az0 * bz1); for (qint64 m = 0; m < m_nmo; ++m) { m_cdg000(m) += m_coef(m, p) * dg000; m_cdg100(m) += m_coef(m, p) * dg100; m_cdg010(m) += m_coef(m, p) * dg010; m_cdg001(m) += m_coef(m, p) * dg001; } } } value = zero; for (qint64 m = 0; m < m_nmo; ++m) { value += (0.5) * (m_occno(m) * (ipow(m_cdg100(m), 2) + ipow(m_cdg010(m), 2) + ipow(m_cdg001(m), 2))); } return value; } qreal QTAIMWavefunctionEvaluator::kineticEnergyDensityK( const Matrix xyz) { qreal value; const qreal zero = 0.0; const qreal one = 1.0; m_cdg000.setZero(); m_cdg200.setZero(); m_cdg020.setZero(); m_cdg002.setZero(); for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qint64 aax0 = 1; qint64 aay0 = 1; qint64 aaz0 = 1; qint64 aax1 = m_xamom(p); qint64 aay1 = m_yamom(p); qint64 aaz1 = m_zamom(p); qint64 aax2 = m_xamom(p) * (m_xamom(p) - 1); qint64 aay2 = m_yamom(p) * (m_yamom(p) - 1); qint64 aaz2 = m_zamom(p) * (m_zamom(p) - 1); qreal ax0 = aax0 * ipow(xx0, m_xamom(p)); qreal ay0 = aay0 * ipow(yy0, m_yamom(p)); qreal az0 = aaz0 * ipow(zz0, m_zamom(p)); qreal ax1; qreal ay1; qreal az1; if (m_xamom(p) < 1) { ax1 = zero; } else if (m_xamom(p) == 1) { ax1 = one; } else { ax1 = aax1 * ipow(xx0, m_xamom(p) - 1); } if (m_yamom(p) < 1) { ay1 = zero; } else if (m_yamom(p) == 1) { ay1 = one; } else { ay1 = aay1 * ipow(yy0, m_yamom(p) - 1); } if (m_zamom(p) < 1) { az1 = zero; } else if (m_zamom(p) == 1) { az1 = one; } else { az1 = aaz1 * ipow(zz0, m_zamom(p) - 1); } qreal ax2; qreal ay2; qreal az2; if (m_xamom(p) < 2) { ax2 = zero; } else if (m_xamom(p) == 2) { ax2 = one; } else { ax2 = aax2 * ipow(xx0, m_xamom(p) - 2); } if (m_yamom(p) < 2) { ay2 = zero; } else if (m_yamom(p) == 2) { ay2 = one; } else { ay2 = aay2 * ipow(yy0, m_yamom(p) - 2); } if (m_zamom(p) < 2) { az2 = zero; } else if (m_zamom(p) == 2) { az2 = one; } else { az2 = aaz2 * ipow(zz0, m_zamom(p) - 2); } qreal b0 = exp(b0arg); qreal bx1 = -2 * m_alpha(p) * xx0; qreal by1 = -2 * m_alpha(p) * yy0; qreal bz1 = -2 * m_alpha(p) * zz0; qreal bx2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(xx0, 2)); qreal by2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(yy0, 2)); qreal bz2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(zz0, 2)); qreal dg000 = ax0 * ay0 * az0 * b0; qreal dg200 = ay0 * az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2); qreal dg020 = ax0 * az0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg002 = ax0 * ay0 * b0 * (az2 + 2 * az1 * bz1 + az0 * bz2); for (qint64 m = 0; m < m_nmo; ++m) { m_cdg000(m) += m_coef(m, p) * dg000; m_cdg200(m) += m_coef(m, p) * dg200; m_cdg020(m) += m_coef(m, p) * dg020; m_cdg002(m) += m_coef(m, p) * dg002; } } } value = 0.0; for (qint64 m = 0; m < m_nmo; ++m) { value += (0.25) * (m_occno(m) * (2 * m_cdg000(m) * (m_cdg200(m) + m_cdg020(m) + m_cdg002(m)))); } return value; } Matrix QTAIMWavefunctionEvaluator::quantumStressTensor( const Matrix xyz) { Matrix value; const qreal zero = 0.0; const qreal one = 1.0; m_cdg000.setZero(); m_cdg100.setZero(); m_cdg010.setZero(); m_cdg001.setZero(); m_cdg200.setZero(); m_cdg020.setZero(); m_cdg002.setZero(); m_cdg110.setZero(); m_cdg101.setZero(); m_cdg011.setZero(); for (qint64 p = 0; p < m_nprim; ++p) { qreal xx0 = xyz(0) - m_X0(p); qreal yy0 = xyz(1) - m_Y0(p); qreal zz0 = xyz(2) - m_Z0(p); qreal b0arg = -m_alpha(p) * (xx0 * xx0 + yy0 * yy0 + zz0 * zz0); if (b0arg > m_cutoff) { qint64 aax0 = 1; qint64 aay0 = 1; qint64 aaz0 = 1; qint64 aax1 = m_xamom(p); qint64 aay1 = m_yamom(p); qint64 aaz1 = m_zamom(p); qint64 aax2 = m_xamom(p) * (m_xamom(p) - 1); qint64 aay2 = m_yamom(p) * (m_yamom(p) - 1); qint64 aaz2 = m_zamom(p) * (m_zamom(p) - 1); qreal ax0 = aax0 * ipow(xx0, m_xamom(p)); qreal ay0 = aay0 * ipow(yy0, m_yamom(p)); qreal az0 = aaz0 * ipow(zz0, m_zamom(p)); qreal ax1; qreal ay1; qreal az1; if (m_xamom(p) < 1) { ax1 = zero; } else if (m_xamom(p) == 1) { ax1 = one; } else { ax1 = aax1 * ipow(xx0, m_xamom(p) - 1); } if (m_yamom(p) < 1) { ay1 = zero; } else if (m_yamom(p) == 1) { ay1 = one; } else { ay1 = aay1 * ipow(yy0, m_yamom(p) - 1); } if (m_zamom(p) < 1) { az1 = zero; } else if (m_zamom(p) == 1) { az1 = one; } else { az1 = aaz1 * ipow(zz0, m_zamom(p) - 1); } qreal ax2; qreal ay2; qreal az2; if (m_xamom(p) < 2) { ax2 = zero; } else if (m_xamom(p) == 2) { ax2 = one; } else { ax2 = aax2 * ipow(xx0, m_xamom(p) - 2); } if (m_yamom(p) < 2) { ay2 = zero; } else if (m_yamom(p) == 2) { ay2 = one; } else { ay2 = aay2 * ipow(yy0, m_yamom(p) - 2); } if (m_zamom(p) < 2) { az2 = zero; } else if (m_zamom(p) == 2) { az2 = one; } else { az2 = aaz2 * ipow(zz0, m_zamom(p) - 2); } qreal b0 = exp(b0arg); qreal bx1 = -2 * m_alpha(p) * xx0; qreal by1 = -2 * m_alpha(p) * yy0; qreal bz1 = -2 * m_alpha(p) * zz0; qreal bx2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(xx0, 2)); qreal by2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(yy0, 2)); qreal bz2 = -2 * m_alpha(p) + 4 * (ipow(m_alpha(p), 2) * ipow(zz0, 2)); qreal dg000 = ax0 * ay0 * az0 * b0; qreal dg100 = ay0 * az0 * b0 * (ax1 + ax0 * bx1); qreal dg010 = ax0 * az0 * b0 * (ay1 + ay0 * by1); qreal dg001 = ax0 * ay0 * b0 * (az1 + az0 * bz1); qreal dg200 = ay0 * az0 * b0 * (ax2 + 2 * ax1 * bx1 + ax0 * bx2); qreal dg020 = ax0 * az0 * b0 * (ay2 + 2 * ay1 * by1 + ay0 * by2); qreal dg002 = ax0 * ay0 * b0 * (az2 + 2 * az1 * bz1 + az0 * bz2); qreal dg110 = az0 * b0 * (ax1 + ax0 * bx1) * (ay1 + ay0 * by1); qreal dg101 = ay0 * b0 * (ax1 + ax0 * bx1) * (az1 + az0 * bz1); qreal dg011 = ax0 * b0 * (ay1 + ay0 * by1) * (az1 + az0 * bz1); for (qint64 m = 0; m < m_nmo; ++m) { m_cdg000(m) += m_coef(m, p) * dg000; m_cdg100(m) += m_coef(m, p) * dg100; m_cdg010(m) += m_coef(m, p) * dg010; m_cdg001(m) += m_coef(m, p) * dg001; m_cdg200(m) += m_coef(m, p) * dg200; m_cdg020(m) += m_coef(m, p) * dg020; m_cdg002(m) += m_coef(m, p) * dg002; m_cdg110(m) += m_coef(m, p) * dg110; m_cdg101(m) += m_coef(m, p) * dg101; m_cdg011(m) += m_coef(m, p) * dg011; } } } value.setZero(); for (qint64 m = 0; m < m_nmo; ++m) { value(0, 0) += (m_occno(m) * (2 * m_cdg000(m) * m_cdg200(m) - 2 * ipow(m_cdg100(m), 2))); value(0, 1) += (m_occno(m) * (2 * m_cdg000(m) * m_cdg110(m) - 2 * m_cdg100(m) * m_cdg010(m))); value(0, 2) += (m_occno(m) * (2 * m_cdg000(m) * m_cdg101(m) - 2 * m_cdg100(m) * m_cdg001(m))); value(1, 1) += (m_occno(m) * (2 * m_cdg000(m) * m_cdg020(m) - 2 * ipow(m_cdg010(m), 2))); value(1, 2) += (m_occno(m) * (2 * m_cdg000(m) * m_cdg011(m) - 2 * m_cdg010(m) * m_cdg001(m))); value(2, 2) += (m_occno(m) * (2 * m_cdg000(m) * m_cdg002(m) - 2 * ipow(m_cdg001(m), 2))); } value(1, 0) = value(0, 1); value(2, 0) = value(0, 2); value(2, 1) = value(1, 2); return 0.25 * value; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/qtaimwavefunctionevaluator.h000066400000000000000000000102741474375334400271520ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright (C) 2010 Eric C. Brown This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #ifndef QTAIMWAVEFUNCTIONEVALUATOR_H #define QTAIMWAVEFUNCTIONEVALUATOR_H #include "qtaimwavefunction.h" #include using namespace Eigen; namespace Avogadro::QtPlugins { class QTAIMWavefunctionEvaluator { public: EIGEN_MAKE_ALIGNED_OPERATOR_NEW explicit QTAIMWavefunctionEvaluator(QTAIMWavefunction& wfn); qreal molecularOrbital(const qint64 mo, const Matrix xyz); qreal electronDensity(const Matrix xyz); Matrix gradientOfElectronDensity( const Matrix xyz); Matrix hessianOfElectronDensity( const Matrix xyz); Matrix gradientAndHessianOfElectronDensity( const Matrix xyz); qreal laplacianOfElectronDensity(const Matrix xyz); qreal electronDensityLaplacian(const Matrix xyz) { return laplacianOfElectronDensity(xyz); } Matrix gradientOfElectronDensityLaplacian( const Matrix xyz); Matrix hessianOfElectronDensityLaplacian( const Matrix xyz); Matrix gradientAndHessianOfElectronDensityLaplacian( const Matrix xyz); qreal kineticEnergyDensityG(const Matrix xyz); qreal kineticEnergyDensityK(const Matrix xyz); Matrix quantumStressTensor(const Matrix xyz); private: qint64 m_nmo; qint64 m_nprim; qint64 m_nnuc; // qint64 m_noccmo; // number of (significantly) occupied molecular // orbitals Matrix m_nucxcoord; Matrix m_nucycoord; Matrix m_nuczcoord; Matrix m_nucz; Matrix m_X0; Matrix m_Y0; Matrix m_Z0; Matrix m_xamom; Matrix m_yamom; Matrix m_zamom; Matrix m_alpha; Matrix m_occno; Matrix m_orbe; Matrix m_coef; qreal m_totalEnergy; qreal m_virialRatio; qreal m_cutoff; Matrix m_cdg000; Matrix m_cdg100; Matrix m_cdg010; Matrix m_cdg001; Matrix m_cdg200; Matrix m_cdg110; Matrix m_cdg101; Matrix m_cdg020; Matrix m_cdg011; Matrix m_cdg002; Matrix m_cdg300; Matrix m_cdg120; Matrix m_cdg102; Matrix m_cdg210; Matrix m_cdg030; Matrix m_cdg012; Matrix m_cdg201; Matrix m_cdg021; Matrix m_cdg003; Matrix m_cdg111; Matrix m_cdg400; Matrix m_cdg220; Matrix m_cdg202; Matrix m_cdg310; Matrix m_cdg130; Matrix m_cdg112; Matrix m_cdg301; Matrix m_cdg121; Matrix m_cdg103; Matrix m_cdg040; Matrix m_cdg022; Matrix m_cdg211; Matrix m_cdg031; Matrix m_cdg013; Matrix m_cdg004; static inline qreal ipow(qreal a, qint64 n) { return (qreal)pow(a, (int)n); } }; } // namespace Avogadro::QtPlugins #endif // QTAIMWAVEFUNCTIONEVALUATOR_H avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/test/000077500000000000000000000000001474375334400222655ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/test/c4h4.wfn000066400000000000000000001023651474375334400235520ustar00rootroot00000000000000Tetrahedrane 6-31G* at 6-31G* geometry 1/11/91 JRC GAUSSIAN 14 MOL ORBITALS 128 PRIMITIVES 8 NUCLEI C 1 (CENTRE 1) 0.97775600 0.97775600 0.97775600 CHARGE = 6.0 C 2 (CENTRE 2) -0.97775600 -0.97775600 0.97775600 CHARGE = 6.0 C 3 (CENTRE 3) 0.97775600 -0.97775600 -0.97775600 CHARGE = 6.0 C 4 (CENTRE 4) -0.97775600 0.97775600 -0.97775600 CHARGE = 6.0 H 5 (CENTRE 5) 2.13806500 2.13806500 2.13806500 CHARGE = 1.0 H 6 (CENTRE 6) -2.13806500 -2.13806500 2.13806500 CHARGE = 1.0 H 7 (CENTRE 7) 2.13806500 -2.13806500 -2.13806500 CHARGE = 1.0 H 8 (CENTRE 8) -2.13806500 2.13806500 -2.13806500 CHARGE = 1.0 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 CENTRE ASSIGNMENTS 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 CENTRE ASSIGNMENTS 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 CENTRE ASSIGNMENTS 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 CENTRE ASSIGNMENTS 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 6 CENTRE ASSIGNMENTS 7 7 7 7 8 8 8 8 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 1 2 TYPE ASSIGNMENTS 3 4 5 6 7 8 9 10 1 1 1 1 1 1 1 1 1 2 2 2 TYPE ASSIGNMENTS 3 3 3 4 4 4 1 2 3 4 5 6 7 8 9 10 1 1 1 1 TYPE ASSIGNMENTS 1 1 1 1 1 2 2 2 3 3 3 4 4 4 1 2 3 4 5 6 TYPE ASSIGNMENTS 7 8 9 10 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 TYPE ASSIGNMENTS 4 4 1 2 3 4 5 6 7 8 9 10 1 1 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 EXPONENTS 0.3047525E+04 0.4573695E+03 0.1039487E+03 0.2921016E+02 0.9286663E+01 EXPONENTS 0.3163927E+01 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.7868272E+01 EXPONENTS 0.1881289E+01 0.5442493E+00 0.7868272E+01 0.1881289E+01 0.5442493E+00 EXPONENTS 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.1687145E+00 0.1687145E+00 EXPONENTS 0.1687145E+00 0.1687145E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 EXPONENTS 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.3047525E+04 0.4573695E+03 EXPONENTS 0.1039487E+03 0.2921016E+02 0.9286663E+01 0.3163927E+01 0.7868272E+01 EXPONENTS 0.1881289E+01 0.5442493E+00 0.7868272E+01 0.1881289E+01 0.5442493E+00 EXPONENTS 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.7868272E+01 0.1881289E+01 EXPONENTS 0.5442493E+00 0.1687145E+00 0.1687145E+00 0.1687145E+00 0.1687145E+00 EXPONENTS 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 EXPONENTS 0.8000000E+00 0.3047525E+04 0.4573695E+03 0.1039487E+03 0.2921016E+02 EXPONENTS 0.9286663E+01 0.3163927E+01 0.7868272E+01 0.1881289E+01 0.5442493E+00 EXPONENTS 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.7868272E+01 0.1881289E+01 EXPONENTS 0.5442493E+00 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.1687145E+00 EXPONENTS 0.1687145E+00 0.1687145E+00 0.1687145E+00 0.8000000E+00 0.8000000E+00 EXPONENTS 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.3047525E+04 EXPONENTS 0.4573695E+03 0.1039487E+03 0.2921016E+02 0.9286663E+01 0.3163927E+01 EXPONENTS 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.7868272E+01 0.1881289E+01 EXPONENTS 0.5442493E+00 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.7868272E+01 EXPONENTS 0.1881289E+01 0.5442493E+00 0.1687145E+00 0.1687145E+00 0.1687145E+00 EXPONENTS 0.1687145E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 EXPONENTS 0.8000000E+00 0.8000000E+00 0.1873114E+02 0.2825394E+01 0.6401217E+00 EXPONENTS 0.1612778E+00 0.1873114E+02 0.2825394E+01 0.6401217E+00 0.1612778E+00 EXPONENTS 0.1873114E+02 0.2825394E+01 0.6401217E+00 0.1612778E+00 0.1873114E+02 EXPONENTS 0.2825394E+01 0.6401217E+00 0.1612778E+00 MO 1 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -11.2380343 0.26693201E+00 0.49243743E+00 0.79494670E+00 0.10347844E+01 0.88298341E+00 0.30487295E+00 -0.58011440E-02 -0.26737419E-02 0.74974515E-02 -0.61745883E-03 -0.47342827E-03 -0.23627389E-03 -0.61745883E-03 -0.47342827E-03 -0.23627389E-03 -0.61745883E-03 -0.47342827E-03 -0.23627389E-03 -0.24675943E-03 0.17853802E-03 0.17853802E-03 0.17853802E-03 -0.13142320E-02 -0.13142320E-02 -0.13142320E-02 0.30335721E-05 0.30335722E-05 0.30335721E-05 0.26693201E+00 0.49243743E+00 0.79494670E+00 0.10347844E+01 0.88298341E+00 0.30487295E+00 -0.58011440E-02 -0.26737419E-02 0.74974515E-02 0.61745883E-03 0.47342827E-03 0.23627389E-03 0.61745883E-03 0.47342827E-03 0.23627389E-03 -0.61745883E-03 -0.47342827E-03 -0.23627389E-03 -0.24675943E-03 -0.17853802E-03 -0.17853802E-03 0.17853802E-03 -0.13142320E-02 -0.13142320E-02 -0.13142320E-02 0.30335721E-05 -0.30335721E-05 -0.30335722E-05 0.26693201E+00 0.49243743E+00 0.79494670E+00 0.10347844E+01 0.88298341E+00 0.30487295E+00 -0.58011440E-02 -0.26737419E-02 0.74974515E-02 -0.61745883E-03 -0.47342827E-03 -0.23627389E-03 0.61745883E-03 0.47342827E-03 0.23627389E-03 0.61745883E-03 0.47342827E-03 0.23627389E-03 -0.24675943E-03 0.17853802E-03 -0.17853802E-03 -0.17853802E-03 -0.13142320E-02 -0.13142320E-02 -0.13142320E-02 -0.30335722E-05 -0.30335722E-05 0.30335722E-05 0.26693201E+00 0.49243743E+00 0.79494670E+00 0.10347844E+01 0.88298341E+00 0.30487295E+00 -0.58011440E-02 -0.26737419E-02 0.74974515E-02 0.61745883E-03 0.47342827E-03 0.23627389E-03 -0.61745883E-03 -0.47342827E-03 -0.23627389E-03 0.61745883E-03 0.47342827E-03 0.23627389E-03 -0.24675943E-03 -0.17853802E-03 0.17853802E-03 -0.17853802E-03 -0.13142320E-02 -0.13142320E-02 -0.13142320E-02 -0.30335721E-05 0.30335721E-05 -0.30335721E-05 -0.89875950E-04 -0.15244662E-03 -0.17355509E-03 -0.12370279E-03 -0.89875950E-04 -0.15244662E-03 -0.17355509E-03 -0.12370279E-03 -0.89875950E-04 -0.15244662E-03 -0.17355509E-03 -0.12370279E-03 -0.89875950E-04 -0.15244662E-03 -0.17355509E-03 -0.12370279E-03 MO 2 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -11.2364689 -0.13360531E+00 -0.24647571E+00 -0.39788822E+00 -0.51793224E+00 -0.44195252E+00 -0.15259558E+00 0.27798091E-02 0.12812115E-02 -0.35926507E-02 0.40226024E-03 0.30842764E-03 0.15392701E-03 0.39414475E-03 0.30220519E-03 0.15082157E-03 0.39124026E-03 0.29997822E-03 0.14971015E-03 0.87725150E-03 0.46622737E-04 -0.19861053E-03 -0.28637795E-03 0.65105547E-03 0.24361944E-03 0.97800673E-04 -0.47048277E-04 -0.23342264E-03 -0.75417612E-03 -0.24930352E+00 -0.45991631E+00 -0.74244752E+00 -0.96644607E+00 -0.82467018E+00 -0.28473880E+00 0.51870406E-02 0.23907023E-02 -0.67037788E-02 -0.73635732E-03 -0.56459209E-03 -0.28177102E-03 -0.74447281E-03 -0.57081453E-03 -0.28487646E-03 0.73528041E-03 0.56376638E-03 0.28135893E-03 0.16369251E-02 0.34355622E-03 0.98322959E-04 -0.37609819E-03 0.49951990E-03 0.90695593E-03 0.44545394E-03 -0.42388701E-03 0.10137435E-02 0.49298997E-03 0.44833820E+00 0.82709643E+00 0.13351901E+01 0.17380208E+01 0.14830563E+01 0.51206369E+00 -0.93281815E-02 -0.42993503E-02 0.12055827E-01 -0.13282068E-02 -0.10183847E-02 -0.50824535E-03 0.13300344E-02 0.10197860E-02 0.50894468E-03 0.13271299E-02 0.10175590E-02 0.50783326E-03 -0.29437854E-02 0.49790122E-03 -0.44267576E-03 -0.53044319E-03 -0.10975850E-02 -0.11893378E-02 -0.10435190E-02 -0.10721596E-02 -0.12585340E-02 0.11412626E-02 -0.65429372E-01 -0.12070441E+00 -0.19485435E+00 -0.25364247E+00 -0.21643358E+00 -0.74729313E-01 0.13613318E-02 0.62743659E-03 -0.17593977E-02 -0.18958922E-03 -0.14536499E-03 -0.72547319E-04 0.19141680E-03 0.14676626E-03 0.73246649E-04 -0.20060920E-03 -0.15381441E-03 -0.76764171E-04 0.42960878E-03 0.20096773E-03 -0.14574228E-03 -0.13203295E-03 -0.52990380E-04 0.38762430E-04 0.50026442E-03 0.60122434E-03 -0.11367898E-04 -0.10590350E-03 0.33934163E-04 0.57558764E-04 0.65528618E-04 -0.16786044E-04 0.63320134E-04 0.10740293E-03 0.12227444E-03 -0.31322256E-04 -0.11387258E-03 -0.19314945E-03 -0.21989382E-03 0.56328784E-04 0.16618284E-04 0.28187755E-04 0.32090762E-04 -0.82204838E-05 MO 3 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -11.2364689 0.41906123E+00 0.77308614E+00 0.12480007E+01 0.16245261E+01 0.13862111E+01 0.47862538E+00 -0.87190411E-02 -0.40185981E-02 0.11268569E-01 -0.12393200E-02 -0.95023195E-03 -0.47423234E-03 -0.12443521E-02 -0.95409025E-03 -0.47615790E-03 -0.12414499E-02 -0.95186503E-03 -0.47504736E-03 -0.27515530E-02 0.53046067E-03 0.37840097E-03 0.46609931E-03 -0.91779785E-03 -0.11704332E-02 -0.10247293E-02 0.10652259E-02 0.12514535E-02 0.92855433E-03 -0.12338996E+00 -0.22763039E+00 -0.36746603E+00 -0.47833158E+00 -0.40816121E+00 -0.14092826E+00 0.25672673E-02 0.11832511E-02 -0.33179597E-02 -0.36011201E-03 -0.27611105E-03 -0.13779877E-03 -0.36514412E-03 -0.27996935E-03 -0.13972433E-03 0.37158279E-03 0.28490611E-03 0.14218812E-03 0.81017761E-03 0.30117711E-03 0.14911741E-03 0.45445851E-04 0.29356401E-04 0.28199180E-03 0.60524356E-03 -0.70158307E-03 0.28842746E-03 -0.34471718E-04 0.11448112E-01 0.21119531E-01 0.34093471E-01 0.44379569E-01 0.37869167E-01 0.13075313E-01 -0.23819087E-03 -0.10978195E-03 0.30784006E-03 -0.27241759E-04 -0.20887253E-04 -0.10424203E-04 0.35810339E-04 0.27457097E-04 0.13703016E-04 0.38712536E-04 0.29682317E-04 0.14813557E-04 -0.75168219E-04 0.21436981E-03 0.44554818E-04 0.13225316E-03 0.30700967E-03 -0.12317350E-03 -0.26887749E-03 -0.33697909E-03 -0.15075143E-03 -0.39907570E-03 -0.30711937E+00 -0.56657528E+00 -0.91462817E+00 -0.11905741E+01 -0.10159191E+01 -0.35077243E+00 0.63899647E-02 0.29451289E-02 -0.82584489E-02 -0.90644972E-03 -0.69500816E-03 -0.34685778E-03 0.91501831E-03 0.70157800E-03 0.35013659E-03 -0.90857963E-03 -0.69664123E-03 -0.34767280E-03 0.20165436E-02 0.44365337E-03 -0.18472874E-03 0.37929200E-03 0.58143178E-03 0.10116150E-02 0.68836319E-03 0.70062187E-03 -0.11137775E-02 0.56395035E-03 -0.10643658E-03 -0.18053658E-03 -0.20553452E-03 0.52650453E-04 0.31339586E-04 0.53157870E-04 0.60518356E-04 -0.15502597E-04 -0.29076845E-05 -0.49319833E-05 -0.56148887E-05 0.14383298E-05 0.78004676E-04 0.13231069E-03 0.15063105E-03 -0.38586185E-04 MO 4 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -11.2364689 -0.14319701E+00 -0.26417052E+00 -0.42645312E+00 -0.55511525E+00 -0.47368085E+00 -0.16355061E+00 0.29793751E-02 0.13731913E-02 -0.38505716E-02 0.42533783E-03 0.32612207E-03 0.16275777E-03 0.41818344E-03 0.32063654E-03 0.16002010E-03 0.42938655E-03 0.32922637E-03 0.16430703E-03 0.94023051E-03 -0.12532999E-03 -0.34152068E-03 -0.29858984E-05 0.40654850E-03 0.47364448E-04 0.60981372E-03 -0.69586773E-03 0.23011784E-04 -0.43606972E-03 0.36958185E+00 0.68180636E+00 0.11006469E+01 0.14327152E+01 0.12225385E+01 0.42211315E+00 -0.76895670E-02 -0.35441144E-02 0.99380668E-02 0.10985157E-02 0.84227219E-03 0.42035285E-03 0.10913613E-02 0.83678666E-03 0.41761519E-03 -0.10954125E-02 -0.83989282E-03 -0.41916538E-03 -0.24266718E-02 -0.30088417E-03 -0.51707486E-03 0.39465762E-03 -0.10867962E-02 -0.72761210E-03 -0.93099883E-03 0.97429593E-03 -0.71434261E-03 -0.11734241E-02 0.11326904E+00 0.20895925E+00 0.33732502E+00 0.43909695E+00 0.37468223E+00 0.12936877E+00 -0.23566899E-02 -0.10861962E-02 0.30458076E-02 -0.33728951E-03 -0.25861220E-03 -0.12906561E-03 0.32918963E-03 0.25240173E-03 0.12596615E-03 0.34039275E-03 0.26099157E-03 0.13025308E-03 -0.74372367E-03 0.73551176E-04 -0.31831250E-03 0.20222281E-04 -0.36408798E-03 0.42563974E-04 -0.51988530E-03 -0.59838982E-03 0.12048969E-03 0.39926164E-03 -0.33965388E+00 -0.62659509E+00 -0.10115188E+01 -0.13166969E+01 -0.11235398E+01 -0.38793130E+00 0.70668818E-02 0.32571194E-02 -0.91333027E-02 -0.10104674E-02 -0.77476232E-03 -0.38666070E-03 0.10023675E-02 0.76855185E-03 0.38356124E-03 -0.10064187E-02 -0.77165802E-03 -0.38511143E-03 0.22301649E-02 0.24910535E-03 -0.49386668E-03 0.37144944E-03 0.10443356E-02 0.63768368E-03 0.84107041E-03 0.87681802E-03 -0.61686470E-03 0.11366160E-02 0.36370340E-04 0.61690981E-04 0.70233001E-04 -0.17991135E-04 -0.93869405E-04 -0.15922028E-03 -0.18126666E-03 0.46433912E-04 -0.28768991E-04 -0.48797653E-04 -0.55554403E-04 0.14231014E-04 0.86268055E-04 0.14632695E-03 0.16658806E-03 -0.42673790E-04 MO 5 MO 0. OCC NO = 2.0000000 ORB. 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OCC NO = 2.0000000 ORB. ENERGY = -0.8053912 -0.96389409E-02 -0.17781964E-01 -0.28705603E-01 -0.37366166E-01 -0.31884617E-01 -0.11008992E-01 -0.13914564E-01 -0.64132098E-02 0.17983310E-01 -0.11652462E+00 -0.89343685E-01 -0.44588761E-01 -0.18258901E-01 -0.13999767E-01 -0.69868648E-02 0.16412115E+00 0.12583769E+00 0.62801825E-01 0.76330712E-02 -0.37176846E-02 -0.66911543E-03 0.49889942E-02 0.12085810E-01 0.31759623E-02 -0.13360614E-01 0.24911443E-01 -0.13498814E-02 -0.15499389E-01 -0.69432276E-01 -0.12808899E+00 -0.20677535E+00 -0.26916006E+00 -0.22967477E+00 -0.79301179E-01 -0.10023091E+00 -0.46196336E-01 0.12953935E+00 -0.84750158E-01 -0.64981046E-01 -0.32430096E-01 0.13515558E-01 0.10362872E-01 0.51717996E-02 0.14009343E+00 0.10741476E+00 0.53607492E-01 0.54983376E-01 -0.18898018E-02 0.11587674E-02 0.36067566E-02 0.32676048E-02 0.12177453E-01 -0.17504234E-02 0.29387282E-01 -0.72687689E-02 -0.21418276E-01 0.62661333E-01 0.11559792E+00 0.18661089E+00 0.24291193E+00 0.20727719E+00 0.71567833E-01 0.90456527E-01 0.41691331E-01 -0.11690684E+00 -0.87471035E-01 -0.67067242E-01 -0.33471254E-01 -0.39565741E-01 -0.30336500E-01 -0.15140040E-01 0.14281431E+00 0.10950095E+00 0.54648650E-01 -0.49621470E-01 -0.20463252E-02 -0.18948297E-02 0.37632800E-02 -0.19528773E-02 -0.13471425E-01 0.30651509E-02 0.28880442E-01 0.26191175E-02 -0.20911436E-01 0.16409884E-01 0.30273032E-01 0.48870060E-01 0.63614298E-01 0.54282196E-01 0.18742338E-01 0.23688949E-01 0.10918215E-01 -0.30615815E-01 -0.11924549E+00 -0.91429881E-01 -0.45629919E-01 -0.77912824E-02 -0.59738611E-02 -0.29813754E-02 0.16140027E+00 0.12375149E+00 0.61760667E-01 -0.12994977E-01 -0.38742080E-02 -0.66946879E-04 0.48324709E-02 -0.13400538E-01 -0.18819898E-02 0.12045886E-01 0.25418283E-01 -0.32997700E-02 -0.14992549E-01 0.48009308E-02 0.81432872E-02 0.92708447E-02 0.18997559E-02 0.34582591E-01 0.58658619E-01 0.66780765E-01 0.13684530E-01 -0.31210142E-01 -0.52938309E-01 -0.60268393E-01 -0.12350033E-01 -0.81733791E-02 -0.13863598E-01 -0.15783216E-01 -0.32342531E-02 MO 7 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.8053912 -0.74474309E-01 -0.13739056E+00 -0.22179096E+00 -0.28870593E+00 -0.24635329E+00 -0.85059872E-01 -0.10750948E+00 -0.49551022E-01 0.13894624E+00 0.13361497E+00 0.10244749E+00 0.51128476E-01 0.99095615E-02 0.75980232E-02 0.37919461E-02 0.83149717E-01 0.63753929E-01 0.31817679E-01 0.58976159E-01 0.33520723E-02 -0.48573120E-03 0.17864517E-02 -0.36770411E-03 0.10848786E-01 0.42080297E-02 0.21856993E-01 0.11310974E-01 0.29123602E-01 0.21251560E-01 0.39204978E-01 0.63288991E-01 0.82383461E-01 0.70297957E-01 0.24272195E-01 0.30678286E-01 0.14139594E-01 -0.39648898E-01 0.15500233E+00 0.11884595E+00 0.59312459E-01 0.31296915E-01 0.23996489E-01 0.11975930E-01 0.12161678E+00 0.93248035E-01 0.46537305E-01 -0.16829097E-01 0.45824182E-02 0.74461472E-03 0.39993388E-02 0.10702071E-01 -0.51441884E-03 -0.14379252E-01 0.14691419E-01 0.73269772E-02 0.25139605E-01 -0.25012937E-02 -0.46143984E-02 -0.74490698E-02 -0.96964755E-02 -0.82740201E-02 -0.28568203E-02 -0.36108127E-02 -0.16642203E-02 0.46666474E-02 0.16253705E+00 0.12462310E+00 0.62195660E-01 0.40841906E-01 0.31314983E-01 0.15628371E-01 0.11408206E+00 0.87470888E-01 0.43654104E-01 0.19807729E-02 0.50158666E-02 0.12937075E-02 0.35658904E-02 -0.14342847E-01 0.40977199E-02 0.10738476E-01 0.16094973E-01 0.55489539E-02 0.23736051E-01 0.55724043E-01 0.10279998E+00 0.16595104E+00 0.21601895E+00 0.18432936E+00 0.63644498E-01 0.80442008E-01 0.37075648E-01 -0.10396399E+00 0.14114969E+00 0.10822463E+00 0.54011676E-01 0.62229259E-01 0.47713449E-01 0.23812355E-01 0.90684438E-01 0.69531075E-01 0.34700880E-01 -0.44127835E-01 0.37855206E-02 0.25240534E-02 0.22199001E-02 0.40084805E-02 -0.14432087E-01 -0.56725327E-03 0.20453439E-01 0.15649572E-02 0.27720048E-01 0.37093910E-01 0.62918292E-01 0.71630251E-01 0.14678273E-01 -0.10584904E-01 -0.17954001E-01 -0.20439996E-01 -0.41885076E-02 0.12458358E-02 0.21131733E-02 0.24057731E-02 0.49298440E-03 -0.27754841E-01 -0.47077464E-01 -0.53596028E-01 -0.10982750E-01 MO 8 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.8053912 -0.34536587E-01 -0.63713259E-01 -0.10285295E+00 -0.13388399E+00 -0.11424345E+00 -0.39445517E-01 -0.49856260E-01 -0.22978705E-01 0.64434686E-01 -0.54903460E-01 -0.42096491E-01 -0.21009099E-01 0.18442817E+00 0.14140782E+00 0.70572415E-01 -0.24407188E-01 -0.18713884E-01 -0.93395396E-02 0.27349501E-01 -0.20711301E-02 0.53538302E-02 -0.11250220E-02 0.10425820E-01 -0.11274611E-01 0.76606938E-02 0.10691756E-02 0.31139861E-01 -0.33220531E-02 0.39492253E-01 0.72855495E-01 0.11761136E+00 0.15309504E+00 0.13063628E+00 0.45105567E-01 0.57010151E-01 0.26275926E-01 -0.73680441E-01 -0.56894875E-01 -0.43623381E-01 -0.21771125E-01 0.18243676E+00 0.13988093E+00 0.69810389E-01 0.53410106E-02 0.40951482E-02 0.20437659E-02 -0.31273890E-01 -0.21856899E-02 0.52392704E-02 0.58629661E-03 -0.11388072E-01 0.10312360E-01 -0.67136329E-02 -0.44722640E-02 0.31510818E-01 -0.29510959E-02 0.53846158E-01 0.99335647E-01 0.16035853E+00 0.20873916E+00 0.17811751E+00 0.61499695E-01 0.77731134E-01 0.35826208E-01 -0.10046043E+00 -0.19387201E-01 -0.14864876E-01 -0.74186149E-02 0.17666870E+00 0.13545835E+00 0.67603210E-01 -0.32166663E-01 -0.24663357E-01 -0.12308744E-01 -0.42640739E-01 -0.27993513E-04 0.49074524E-02 -0.15713997E-02 -0.67356325E-02 0.75252335E-02 -0.11410071E-01 0.25145963E-02 0.32585282E-01 -0.99379563E-02 -0.58801824E-01 -0.10847788E+00 -0.17511694E+00 -0.22795022E+00 -0.19451034E+00 -0.67159745E-01 -0.84885025E-01 -0.39123430E-01 0.10970618E+00 -0.17395786E-01 -0.13337985E-01 -0.66565894E-02 0.17467728E+00 0.13393146E+00 0.66841185E-01 0.13100486E-01 0.10044622E-01 0.50129702E-02 0.46565127E-01 0.86566212E-04 0.47928927E-02 0.10326744E-02 0.76978840E-02 -0.65629820E-02 0.10463011E-01 -0.59176848E-02 0.32956239E-01 -0.10308913E-01 0.17201865E-01 0.29177619E-01 0.33217688E-01 0.68068770E-02 -0.19670166E-01 -0.33364325E-01 -0.37984105E-01 -0.77835980E-02 -0.26819510E-01 -0.45490966E-01 -0.51789856E-01 -0.10612635E-01 0.29287812E-01 0.49677672E-01 0.56556273E-01 0.11589356E-01 MO 9 MO 0. OCC NO = 2.0000000 ORB. 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OCC NO = 2.0000000 ORB. 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OCC NO = 2.0000000 ORB. 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OCC NO = 2.0000000 ORB. 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OCC NO = 2.0000000 ORB. ENERGY = -0.3317291 -0.36495206E-14 -0.67326530E-14 -0.10868589E-13 -0.14147674E-13 -0.12072236E-13 -0.41682530E-14 -0.18851650E-14 -0.86887083E-15 0.24364045E-14 -0.63288358E-01 -0.48525499E-01 -0.24217625E-01 -0.24830844E+00 -0.19038716E+00 -0.95016539E-01 0.31159680E+00 0.23891266E+00 0.11923416E+00 0.65142744E-13 -0.59376216E-02 -0.23295936E-01 0.29233558E-01 -0.74388283E-03 -0.29185840E-02 0.36624668E-02 0.38365817E-01 -0.30573344E-01 -0.77924727E-02 -0.20221178E-14 -0.37304124E-14 -0.60220424E-14 -0.78389098E-14 -0.66889560E-14 -0.23095357E-14 -0.88316400E-14 -0.40704948E-14 0.11414092E-13 0.63288358E-01 0.48525499E-01 0.24217625E-01 0.24830844E+00 0.19038716E+00 0.95016539E-01 0.31159680E+00 0.23891266E+00 0.11923416E+00 0.34430177E-13 0.59376216E-02 0.23295936E-01 0.29233558E-01 -0.74388283E-03 -0.29185840E-02 0.36624668E-02 0.38365817E-01 0.30573344E-01 0.77924727E-02 0.57685046E-16 0.10641765E-15 0.17179108E-15 0.22362094E-15 0.19081615E-15 0.65884232E-16 -0.14807045E-13 -0.68245535E-14 0.19136760E-13 -0.63288358E-01 -0.48525499E-01 -0.24217625E-01 0.24830844E+00 0.19038716E+00 0.95016539E-01 -0.31159680E+00 -0.23891266E+00 -0.11923416E+00 0.55760697E-14 -0.59376216E-02 0.23295936E-01 -0.29233558E-01 -0.74388283E-03 -0.29185840E-02 0.36624668E-02 -0.38365817E-01 0.30573344E-01 -0.77924727E-02 -0.15149400E-14 -0.27947685E-14 -0.45116230E-14 -0.58727926E-14 -0.50112645E-14 -0.17302692E-14 -0.70233960E-14 -0.32370768E-14 0.90771012E-14 0.63288358E-01 0.48525499E-01 0.24217625E-01 -0.24830844E+00 -0.19038716E+00 -0.95016539E-01 -0.31159680E+00 -0.23891266E+00 -0.11923416E+00 0.36183546E-13 0.59376216E-02 -0.23295936E-01 -0.29233558E-01 -0.74388283E-03 -0.29185840E-02 0.36624668E-02 -0.38365817E-01 -0.30573344E-01 0.77924727E-02 -0.55690635E-15 -0.94461857E-15 -0.10754149E-14 -0.25677310E-13 -0.97427039E-15 -0.16525470E-14 -0.18813663E-14 -0.37625618E-13 -0.24248538E-14 -0.41130109E-14 -0.46825176E-14 -0.46528245E-13 -0.12681288E-14 -0.21509864E-14 -0.24488220E-14 -0.35763604E-13 MO 14 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.3317291 0.39348459E-14 0.72590224E-14 0.11718313E-13 0.15253762E-13 0.13016062E-13 0.44941335E-14 0.47891249E-13 0.22073033E-13 -0.61895088E-13 0.32326144E+00 0.24785637E+00 0.12369770E+00 -0.21644005E+00 -0.16595250E+00 -0.82821928E-01 -0.10682140E+00 -0.81903871E-01 -0.40875772E-01 -0.34844584E-13 0.30327918E-01 -0.20306090E-01 -0.10021828E-01 0.37995714E-02 -0.25440071E-02 -0.12555643E-02 -0.13152542E-01 -0.26649501E-01 0.39802043E-01 0.38265503E-14 0.70592381E-14 0.11395799E-13 0.14833944E-13 0.12657832E-13 0.43704451E-14 0.48856706E-13 0.22518011E-13 -0.63142854E-13 -0.32326144E+00 -0.24785637E+00 -0.12369770E+00 0.21644005E+00 0.16595250E+00 0.82821928E-01 -0.10682140E+00 -0.81903871E-01 -0.40875772E-01 -0.33404032E-13 -0.30327918E-01 0.20306090E-01 -0.10021828E-01 0.37995714E-02 -0.25440071E-02 -0.12555643E-02 -0.13152542E-01 0.26649501E-01 -0.39802043E-01 0.31654048E-14 0.58395537E-14 0.94268504E-14 0.12270958E-13 0.10470831E-13 0.36153263E-14 0.47551396E-13 0.21916395E-13 -0.61455859E-13 0.32326144E+00 0.24785637E+00 0.12369770E+00 0.21644005E+00 0.16595250E+00 0.82821928E-01 0.10682140E+00 0.81903871E-01 0.40875772E-01 -0.33164406E-13 0.30327918E-01 0.20306090E-01 0.10021828E-01 0.37995714E-02 -0.25440071E-02 -0.12555643E-02 0.13152542E-01 0.26649501E-01 0.39802043E-01 0.37820742E-14 0.69771885E-14 0.11263346E-13 0.14661529E-13 0.12510709E-13 0.43196473E-14 0.44902243E-13 0.20695403E-13 -0.58032070E-13 -0.32326144E+00 -0.24785637E+00 -0.12369770E+00 -0.21644005E+00 -0.16595250E+00 -0.82821928E-01 0.10682140E+00 0.81903871E-01 0.40875772E-01 -0.44495561E-13 -0.30327918E-01 -0.20306090E-01 0.10021828E-01 0.37995714E-02 -0.25440071E-02 -0.12555643E-02 0.13152542E-01 -0.26649501E-01 -0.39802043E-01 -0.19063144E-14 -0.32334701E-14 -0.36811914E-14 0.42081563E-13 -0.12518890E-14 -0.21234406E-14 -0.24174621E-14 0.41194256E-13 -0.79033825E-15 -0.13405633E-14 -0.15261839E-14 0.42572468E-13 -0.11195100E-14 -0.18989009E-14 -0.21618315E-14 0.38501656E-13 END DATA THE RHF ENERGY = -153.597882732801 THE VIRIAL(-V/T)= 2.00054039 avogadrolibs-1.100.0/avogadro/qtplugins/qtaim/test/hco2.wfn000066400000000000000000000571401474375334400236430ustar00rootroot00000000000000Formate anion 6-31++G** GAUSSIAN 12 MOL ORBITALS 104 PRIMITIVES 4 NUCLEI C 1 (CENTRE 1) 0.00000000 0.00000000 0.57942804 CHARGE = 6.0 O 2 (CENTRE 2) 0.00000000 2.11695431 -0.38686460 CHARGE = 8.0 O 3 (CENTRE 3) 0.00000000 -2.11695431 -0.38686460 CHARGE = 8.0 H 4 (CENTRE 4) 0.00000000 0.00000000 2.71326541 CHARGE = 1.0 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 CENTRE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 CENTRE ASSIGNMENTS 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 CENTRE ASSIGNMENTS 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 CENTRE ASSIGNMENTS 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 CENTRE ASSIGNMENTS 4 4 4 4 TYPE ASSIGNMENTS 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 1 2 TYPE ASSIGNMENTS 3 4 1 2 3 4 5 6 7 8 9 10 1 1 1 1 1 1 1 1 TYPE ASSIGNMENTS 1 2 2 2 3 3 3 4 4 4 1 2 3 4 1 2 3 4 5 6 TYPE ASSIGNMENTS 7 8 9 10 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 TYPE ASSIGNMENTS 4 4 1 2 3 4 1 2 3 4 5 6 7 8 9 10 1 1 1 1 TYPE ASSIGNMENTS 1 2 3 4 EXPONENTS 0.3047525E+04 0.4573695E+03 0.1039487E+03 0.2921016E+02 0.9286663E+01 EXPONENTS 0.3163927E+01 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.7868272E+01 EXPONENTS 0.1881289E+01 0.5442493E+00 0.7868272E+01 0.1881289E+01 0.5442493E+00 EXPONENTS 0.7868272E+01 0.1881289E+01 0.5442493E+00 0.1687145E+00 0.1687145E+00 EXPONENTS 0.1687145E+00 0.1687145E+00 0.4380000E-01 0.4380000E-01 0.4380000E-01 EXPONENTS 0.4380000E-01 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 EXPONENTS 0.8000000E+00 0.8000000E+00 0.5484672E+04 0.8252349E+03 0.1880470E+03 EXPONENTS 0.5296450E+02 0.1689757E+02 0.5799635E+01 0.1553962E+02 0.3599934E+01 EXPONENTS 0.1013762E+01 0.1553962E+02 0.3599934E+01 0.1013762E+01 0.1553962E+02 EXPONENTS 0.3599934E+01 0.1013762E+01 0.1553962E+02 0.3599934E+01 0.1013762E+01 EXPONENTS 0.2700058E+00 0.2700058E+00 0.2700058E+00 0.2700058E+00 0.8450000E-01 EXPONENTS 0.8450000E-01 0.8450000E-01 0.8450000E-01 0.8000000E+00 0.8000000E+00 EXPONENTS 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.5484672E+04 EXPONENTS 0.8252349E+03 0.1880470E+03 0.5296450E+02 0.1689757E+02 0.5799635E+01 EXPONENTS 0.1553962E+02 0.3599934E+01 0.1013762E+01 0.1553962E+02 0.3599934E+01 EXPONENTS 0.1013762E+01 0.1553962E+02 0.3599934E+01 0.1013762E+01 0.1553962E+02 EXPONENTS 0.3599934E+01 0.1013762E+01 0.2700058E+00 0.2700058E+00 0.2700058E+00 EXPONENTS 0.2700058E+00 0.8450000E-01 0.8450000E-01 0.8450000E-01 0.8450000E-01 EXPONENTS 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 0.8000000E+00 EXPONENTS 0.8000000E+00 0.1873114E+02 0.2825394E+01 0.6401217E+00 0.1612778E+00 EXPONENTS 0.3600000E-01 0.1100000E+01 0.1100000E+01 0.1100000E+01 MO 1 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -20.2999736 -0.12188442E-13 -0.22485295E-13 -0.36298238E-13 -0.47249521E-13 -0.40318102E-13 -0.13920872E-13 -0.41960794E-12 -0.19339692E-12 0.54230514E-12 -0.39273770E-15 -0.30112636E-15 -0.15028316E-15 0.29917662E-03 0.22938966E-03 0.11448152E-03 -0.63478413E-13 -0.48671221E-13 -0.24290350E-13 0.22529127E-12 0.13071387E-15 0.10185809E-03 -0.62728986E-13 0.10023463E-12 -0.29802626E-16 0.15830967E-04 -0.98332270E-14 -0.24693743E-12 -0.14752123E-11 -0.25765489E-12 0.18297189E-14 -0.66615675E-15 0.54705851E-03 0.58494882E+00 0.10766181E+01 0.17421713E+01 0.22901329E+01 0.19642337E+01 0.67160487E+00 -0.91594649E-02 -0.40869354E-02 0.12068775E-01 0.13518265E-14 0.10415094E-14 0.45727874E-15 -0.28829800E-02 -0.22211807E-02 -0.97521795E-03 0.12404677E-02 0.95571350E-03 0.41960970E-03 0.87774840E-03 -0.32212280E-15 0.15512643E-03 -0.10153969E-03 -0.16545660E-03 0.61506469E-16 -0.37903054E-05 -0.37038128E-05 -0.33187344E-02 -0.31410279E-02 -0.33038069E-02 0.74824127E-15 -0.24267011E-15 0.10744751E-03 -0.58494882E+00 -0.10766181E+01 -0.17421713E+01 -0.22901329E+01 -0.19642337E+01 -0.67160487E+00 0.91594649E-02 0.40869354E-02 -0.12068775E-01 0.12737899E-14 0.98138644E-15 0.43088151E-15 -0.28829800E-02 -0.22211807E-02 -0.97521795E-03 -0.12404677E-02 -0.95571350E-03 -0.41960970E-03 -0.87774839E-03 -0.13253444E-15 0.15512643E-03 0.10153969E-03 0.16545660E-03 0.23148336E-16 -0.37903054E-05 0.37038128E-05 0.33187344E-02 0.31410279E-02 0.33038069E-02 -0.14848270E-16 -0.68315079E-15 0.10744751E-03 -0.34702469E-13 -0.58861956E-13 -0.67012256E-13 0.22566017E-13 -0.31113147E-14 0.92067613E-15 -0.20220193E-03 0.19169822E-12 MO 2 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -20.2999400 -0.76032131E-05 -0.14026444E-04 -0.22643029E-04 -0.29474496E-04 -0.25150641E-04 -0.86839118E-05 -0.25352583E-03 -0.11684982E-03 0.32765910E-03 -0.46458861E-15 -0.35621708E-15 -0.17777729E-15 -0.49717214E-12 -0.38120007E-12 -0.19024555E-12 -0.36505553E-04 -0.27990143E-04 -0.13969043E-04 0.13379545E-03 0.15410457E-15 -0.16985819E-12 -0.37260932E-04 0.59582199E-04 -0.33013166E-17 -0.26264395E-13 -0.59799736E-05 -0.14837160E-03 -0.88805571E-03 -0.15585303E-03 0.91654207E-15 -0.56688934E-15 -0.90845593E-12 0.58494329E+00 0.10766079E+01 0.17421548E+01 0.22901113E+01 0.19642151E+01 0.67159852E+00 -0.91359783E-02 -0.40764557E-02 0.12037828E-01 -0.69384055E-15 -0.53456674E-15 -0.23470359E-15 -0.28671447E-02 -0.22089804E-02 -0.96986139E-03 0.13496592E-02 0.10398397E-02 0.45654563E-03 0.97103205E-03 0.32365768E-16 0.12453228E-03 -0.14888987E-04 -0.14163251E-03 -0.51015398E-17 -0.58826214E-06 0.49234601E-06 -0.34141266E-02 -0.32557299E-02 -0.31636818E-02 0.85810319E-15 -0.21994607E-15 -0.26326172E-03 0.58494329E+00 0.10766079E+01 0.17421548E+01 0.22901113E+01 0.19642151E+01 0.67159852E+00 -0.91359783E-02 -0.40764557E-02 0.12037828E-01 -0.93713542E-16 -0.72201232E-16 -0.31700230E-16 0.28671447E-02 0.22089804E-02 0.96986139E-03 0.13496592E-02 0.10398397E-02 0.45654563E-03 0.97103205E-03 -0.11050101E-15 -0.12453228E-03 -0.14888987E-04 -0.14163251E-03 -0.29425795E-17 0.58826216E-06 0.49234600E-06 -0.34141266E-02 -0.32557299E-02 -0.31636818E-02 -0.53710110E-15 0.19194431E-15 0.26326172E-03 -0.20738602E-04 -0.35176594E-04 -0.40047309E-04 0.13445219E-04 -0.14915103E-05 -0.62765065E-15 0.33685368E-12 0.11682620E-03 MO 3 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -11.1259858 0.53422217E+00 0.98553558E+00 0.15909600E+01 0.20709572E+01 0.17671515E+01 0.61015496E+00 -0.10842516E-01 -0.49973057E-02 0.14012967E-01 -0.26399094E-15 -0.20241151E-15 -0.10101753E-15 -0.67153739E-15 -0.51489227E-15 -0.25696733E-15 -0.51904345E-03 -0.39796960E-03 -0.19861472E-03 -0.24364266E-02 -0.44618693E-16 -0.11138516E-14 -0.14900667E-04 -0.34405146E-03 0.49907391E-17 -0.72656510E-16 -0.36041018E-04 -0.22405914E-02 -0.17736819E-03 -0.13078581E-02 0.25464249E-16 0.80735526E-16 -0.22785222E-14 -0.21118904E-03 -0.38870057E-03 -0.62899089E-03 -0.82682613E-03 -0.70916397E-03 -0.24247521E-03 -0.32654787E-03 -0.14570502E-03 0.43026889E-03 0.44005858E-15 0.33904142E-15 0.14885744E-15 -0.59465254E-03 -0.45814773E-03 -0.20115153E-03 0.28425497E-03 0.21900313E-03 0.96154171E-04 -0.39057537E-03 0.90780662E-16 0.19698398E-03 -0.14874850E-03 0.51083855E-03 -0.15573357E-16 -0.11842933E-03 0.10543451E-03 0.41231631E-03 0.62289754E-04 0.92118237E-04 -0.21381963E-15 0.15794712E-15 0.36723638E-03 -0.21118904E-03 -0.38870057E-03 -0.62899089E-03 -0.82682613E-03 -0.70916397E-03 -0.24247521E-03 -0.32654787E-03 -0.14570502E-03 0.43026889E-03 -0.56970734E-15 -0.43892879E-15 -0.19271338E-15 0.59465254E-03 0.45814773E-03 0.20115153E-03 0.28425497E-03 0.21900313E-03 0.96154171E-04 -0.39057537E-03 0.88802174E-16 -0.19698398E-03 -0.14874850E-03 0.51083855E-03 -0.16841347E-16 0.11842933E-03 0.10543451E-03 0.41231631E-03 0.62289754E-04 0.92118237E-04 0.85807874E-15 0.14026940E-16 -0.36723638E-03 -0.11890413E-04 -0.20168390E-04 -0.22960999E-04 0.23697920E-03 0.11546874E-03 0.43195428E-15 0.21925556E-14 0.50274602E-03 MO 4 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -1.1740934 -0.73231042E-01 -0.13509697E+00 -0.21808840E+00 -0.28388630E+00 -0.24224069E+00 -0.83639890E-01 -0.10522870E+00 -0.48499814E-01 0.13599854E+00 -0.28727776E-16 -0.22026636E-16 -0.10992835E-16 0.12100552E-13 0.92779359E-14 0.46303402E-14 -0.11901634E+00 -0.91254183E-01 -0.45542233E-01 0.10549147E-01 0.31762539E-16 -0.27780100E-14 0.49219789E-02 0.20754759E-02 0.25998815E-17 -0.53719651E-15 0.17045827E-03 -0.24548666E-01 0.31766034E-01 -0.17348874E-01 0.21249983E-15 0.68948723E-16 0.22101938E-15 -0.11052937E+00 -0.20343305E+00 -0.32919307E+00 -0.43273351E+00 -0.37115301E+00 -0.12690352E+00 -0.18013184E+00 -0.80374477E-01 0.23734691E+00 0.14708424E-14 0.11332048E-14 0.49753794E-15 -0.29446967E+00 -0.22687301E+00 -0.99609470E-01 0.11368823E+00 0.87590655E-01 0.38457016E-01 0.72481314E-01 0.23669280E-15 -0.12000654E-01 0.36696488E-02 -0.63902347E-03 -0.48889586E-16 0.13084694E-03 -0.35384531E-03 -0.10010288E-02 0.15647882E-01 -0.15052629E-02 -0.87594485E-16 -0.29313373E-17 -0.12142530E-01 -0.11052937E+00 -0.20343305E+00 -0.32919307E+00 -0.43273351E+00 -0.37115301E+00 -0.12690352E+00 -0.18013184E+00 -0.80374477E-01 0.23734691E+00 -0.15949994E-14 -0.12288610E-14 -0.53953618E-15 0.29446967E+00 0.22687301E+00 0.99609470E-01 0.11368823E+00 0.87590655E-01 0.38457016E-01 0.72481314E-01 -0.23399000E-15 0.12000654E-01 0.36696488E-02 -0.63902347E-03 0.27944600E-16 -0.13084694E-03 -0.35384531E-03 -0.10010288E-02 0.15647882E-01 -0.15052629E-02 -0.32611019E-16 -0.13048552E-16 0.12142530E-01 0.80895605E-02 0.13721426E-01 0.15621358E-01 -0.20758061E-02 -0.74912400E-03 -0.40079127E-16 0.88502528E-16 -0.12462681E-01 MO 5 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -1.0744921 0.18692576E-14 0.34484153E-14 0.55668115E-14 0.72463345E-14 0.61833103E-14 0.21349485E-14 0.31631417E-14 0.14578891E-14 -0.40880733E-14 0.85863809E-15 0.65834923E-15 0.32856241E-15 0.34495054E+00 0.26448620E+00 0.13199715E+00 0.24759331E-14 0.18983885E-14 0.94742889E-15 0.21014382E-14 0.12892468E-15 -0.41275671E-02 -0.69889242E-15 0.22560192E-15 0.30391526E-16 0.26353774E-03 -0.17884285E-15 0.21133158E-14 0.17535656E-14 0.21051693E-14 -0.33941281E-15 -0.21678398E-15 -0.64772949E-01 -0.12539442E+00 -0.23079267E+00 -0.37346611E+00 -0.49093165E+00 -0.42106922E+00 -0.14397072E+00 -0.20379474E+00 -0.90932815E-01 0.26852582E+00 0.25676757E-14 0.19782557E-14 0.86856081E-15 -0.21694570E+00 -0.16714497E+00 -0.73385643E-01 0.14375607E+00 0.11075630E+00 0.48627981E-01 0.86738391E-01 0.63864588E-16 -0.70857096E-02 0.61101790E-02 0.22488619E-02 -0.43160215E-16 -0.66559843E-03 0.24865111E-03 -0.19514481E-02 0.67320129E-02 0.27753057E-02 -0.88513393E-16 0.19930271E-15 -0.14003368E-01 0.12539442E+00 0.23079267E+00 0.37346611E+00 0.49093165E+00 0.42106922E+00 0.14397072E+00 0.20379474E+00 0.90932815E-01 -0.26852582E+00 -0.28628612E-15 -0.22056802E-15 -0.96841242E-16 -0.21694570E+00 -0.16714497E+00 -0.73385643E-01 -0.14375607E+00 -0.11075630E+00 -0.48627981E-01 -0.86738391E-01 -0.13876243E-15 -0.70857096E-02 -0.61101790E-02 -0.22488619E-02 -0.41652027E-16 -0.66559843E-03 -0.24865111E-03 0.19514481E-02 -0.67320129E-02 -0.27753057E-02 -0.46396439E-15 -0.20076890E-15 -0.14003368E-01 -0.39863194E-15 -0.67615522E-15 -0.76977882E-15 0.31285519E-15 0.25992725E-15 -0.74759164E-16 0.33628781E-02 0.96439545E-15 MO 6 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.5530167 -0.70117172E-01 -0.12935249E+00 -0.20881503E+00 -0.27181512E+00 -0.23194034E+00 -0.80083424E-01 -0.11157011E+00 -0.51422559E-01 0.14419422E+00 0.17896166E-16 0.13721645E-16 0.68480624E-17 -0.21223634E-14 -0.16272936E-14 -0.81213356E-15 0.28800605E+00 0.22082477E+00 0.11020704E+00 0.52815085E-01 -0.21353772E-16 0.14236388E-14 0.10449305E-01 0.81723774E-03 0.55233791E-17 0.16612234E-15 0.41658645E-03 -0.14158017E-01 -0.21644039E-02 0.85164950E-02 0.91567838E-15 0.81779774E-15 0.13475524E-14 0.58244667E-01 0.10720128E+00 0.17347191E+00 0.22803367E+00 0.19558316E+00 0.66873203E-01 0.98204491E-01 0.43818653E-01 -0.12939707E+00 0.44951010E-14 0.34632330E-14 0.15205458E-14 -0.33527287E+00 -0.25830967E+00 -0.11341186E+00 0.48675301E+00 0.37501695E+00 0.16465264E+00 -0.63886549E-01 0.43431938E-15 -0.12722688E-01 0.21301169E-01 -0.47251497E-02 -0.68698575E-16 0.57636688E-04 -0.33885860E-03 -0.31899863E-02 0.19678919E-02 0.35950450E-02 -0.42946813E-15 -0.35150773E-16 -0.20700089E-01 0.58244667E-01 0.10720128E+00 0.17347191E+00 0.22803367E+00 0.19558316E+00 0.66873203E-01 0.98204491E-01 0.43818653E-01 -0.12939707E+00 -0.36200009E-14 -0.27890155E-14 -0.12245280E-14 0.33527287E+00 0.25830967E+00 0.11341186E+00 0.48675301E+00 0.37501695E+00 0.16465264E+00 -0.63886549E-01 -0.22043429E-15 0.12722688E-01 0.21301169E-01 -0.47251497E-02 0.65414131E-16 -0.57636688E-04 -0.33885860E-03 -0.31899863E-02 0.19678919E-02 0.35950450E-02 0.10055396E-14 0.20933174E-15 0.20700089E-01 0.48260411E-01 0.81858791E-01 0.93193340E-01 0.27286475E-01 -0.18822032E-03 -0.24601791E-15 0.94535590E-15 -0.24668746E-01 MO 7 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.4350704 0.29516069E-01 0.54451384E-01 0.87901417E-01 0.11442153E+00 0.97636096E-01 0.33711398E-01 0.54618306E-01 0.25173527E-01 -0.70589198E-01 0.55987897E-15 0.42927968E-15 0.21424065E-15 0.17236844E-13 0.13216118E-13 0.65957693E-14 0.41469345E+00 0.31796063E+00 0.15868464E+00 -0.13947528E-01 0.28029789E-16 -0.83951432E-15 0.11799832E-01 0.25914292E-03 -0.72652828E-17 -0.18414718E-15 0.11905279E-03 0.96763138E-02 -0.26911937E-02 0.62491930E-02 -0.13411045E-14 -0.42749602E-16 0.23406753E-15 -0.42022439E-01 -0.77343721E-01 -0.12515674E+00 -0.16452204E+00 -0.14110960E+00 -0.48247767E-01 -0.70337187E-01 -0.31384316E-01 0.92678305E-01 0.93458021E-14 0.72004367E-14 0.31613795E-14 0.10123545E+01 0.77996454E+00 0.34244644E+00 0.25096101E+00 0.19335193E+00 0.84891910E-01 0.51948210E-01 0.49498841E-15 0.49336295E-01 0.16426237E-01 0.46901968E-02 0.49969754E-16 0.13228224E-02 0.36500115E-03 0.48533355E-02 -0.23809057E-01 0.13331413E-01 -0.82678011E-15 0.75855186E-15 0.14884136E-02 -0.42022439E-01 -0.77343721E-01 -0.12515674E+00 -0.16452204E+00 -0.14110960E+00 -0.48247767E-01 -0.70337187E-01 -0.31384316E-01 0.92678305E-01 -0.60862544E-14 -0.46891309E-14 -0.20587810E-14 -0.10123545E+01 -0.77996454E+00 -0.34244644E+00 0.25096101E+00 0.19335193E+00 0.84891910E-01 0.51948210E-01 -0.30099943E-15 -0.49336295E-01 0.16426237E-01 0.46901968E-02 -0.28745755E-16 -0.13228224E-02 0.36500115E-03 0.48533355E-02 -0.23809057E-01 0.13331413E-01 -0.72580272E-15 -0.98662623E-15 -0.14884136E-02 0.25631277E-01 0.43475498E-01 0.49495318E-01 0.20088197E-01 0.32421027E-03 0.32117158E-15 -0.36079578E-15 -0.77174499E-02 MO 8 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.3925008 -0.10990965E-14 -0.20276184E-14 -0.32732048E-14 -0.42607401E-14 -0.36356972E-14 -0.12553189E-14 -0.12597383E-14 -0.58061223E-15 0.16280973E-14 0.30391715E-15 0.23302440E-15 0.11629551E-15 0.47521351E+00 0.36436358E+00 0.18184296E+00 -0.15674025E-13 -0.12017848E-13 -0.59977485E-14 0.23959725E-14 0.10003107E-15 0.13052360E-01 -0.10191030E-14 0.13275707E-14 -0.84108065E-16 -0.20431390E-03 0.11305413E-15 -0.11047004E-14 -0.41105133E-15 -0.64244187E-15 0.80951759E-15 -0.85955184E-15 -0.34592804E-01 0.45179757E-01 0.83154871E-01 0.13456028E+00 0.17688325E+00 0.15171174E+00 0.51872819E-01 0.76245321E-01 0.34020514E-01 -0.10046303E+00 0.10940547E-13 0.84291014E-14 0.37008295E-14 -0.91268535E+00 -0.70317486E+00 -0.30873164E+00 0.73641683E+00 0.56736947E+00 0.24910576E+00 -0.63894105E-01 0.43466765E-15 -0.40970939E-01 0.36101567E-01 -0.50146391E-02 0.18405106E-15 -0.16027372E-02 0.12749166E-02 -0.75700601E-02 0.10995193E-01 0.26772376E-02 0.71963657E-15 -0.13181106E-15 -0.31118299E-01 -0.45179757E-01 -0.83154871E-01 -0.13456028E+00 -0.17688325E+00 -0.15171174E+00 -0.51872819E-01 -0.76245321E-01 -0.34020514E-01 0.10046303E+00 -0.92429181E-14 -0.71211701E-14 -0.31265772E-14 -0.91268535E+00 -0.70317486E+00 -0.30873164E+00 -0.73641683E+00 -0.56736947E+00 -0.24910576E+00 0.63894105E-01 -0.78890469E-15 -0.40970939E-01 -0.36101567E-01 0.50146391E-02 0.84189932E-16 -0.16027372E-02 -0.12749166E-02 0.75700601E-02 -0.10995193E-01 -0.26772376E-02 -0.10409164E-14 -0.13401409E-14 -0.31118299E-01 -0.93365222E-15 -0.15836509E-14 -0.18029305E-14 -0.46280510E-15 -0.65902358E-15 0.55049012E-15 0.43684877E-02 0.42292198E-15 MO 9 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.3515679 0.42992532E-16 0.79312826E-16 0.12803549E-15 0.16666417E-15 0.14221484E-15 0.49103366E-16 -0.33638851E-15 -0.15504116E-15 0.43475159E-15 0.42325022E+00 0.32452142E+00 0.16195893E+00 -0.21186711E-14 -0.16244626E-14 -0.81072068E-15 0.31852096E-15 0.24422167E-15 0.12188373E-15 -0.44831012E-15 0.22943621E-01 -0.28520655E-14 -0.17311944E-15 -0.25890548E-15 0.10780039E-02 -0.45327461E-16 -0.37838258E-16 -0.16648437E-15 -0.35671005E-15 0.35656373E-15 0.28405848E-14 -0.32004969E-01 0.46027347E-15 -0.46083976E-15 -0.84819117E-15 -0.13725334E-14 -0.18042336E-14 -0.15474807E-14 -0.52910992E-15 0.13739851E-14 0.61306947E-15 -0.18104024E-14 0.10693282E+01 0.82385976E+00 0.36171881E+00 -0.14596552E-13 -0.11245856E-13 -0.49375367E-14 -0.19854389E-13 -0.15296737E-13 -0.67160913E-14 0.45588133E-14 0.63719638E-01 -0.25630748E-14 -0.57762674E-16 -0.34971873E-15 0.11768325E-02 0.32156253E-15 0.39635969E-16 -0.12216953E-14 0.12505853E-15 -0.22736117E-14 -0.47807263E-01 0.23803807E-01 -0.11705483E-14 0.56351519E-15 0.10371688E-14 0.16783348E-14 0.22062181E-14 0.18922605E-14 0.64699599E-15 -0.17334309E-14 -0.77345349E-15 0.22840185E-14 0.10693282E+01 0.82385976E+00 0.36171881E+00 -0.11070953E-13 -0.85295724E-14 -0.37449417E-14 0.14112768E-13 0.10873127E-13 0.47738883E-14 -0.51586321E-14 0.63719638E-01 -0.24936818E-14 -0.11371921E-15 0.55393074E-15 0.11768325E-02 0.40932747E-15 0.18333847E-16 0.14023041E-14 0.11391859E-14 0.25528990E-14 0.47807263E-01 0.23803807E-01 -0.17811519E-14 0.14250971E-15 0.24172344E-15 0.27519359E-15 0.75032357E-16 0.22625231E-15 0.86480103E-02 0.11570854E-14 0.10925372E-15 MO 10 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.2088715 0.16186460E-15 0.29860858E-15 0.48204684E-15 0.62748176E-15 0.53543132E-15 0.18487157E-15 0.94603044E-15 0.43602457E-15 -0.12226584E-14 0.33879951E-14 0.25976997E-14 0.12964342E-14 -0.72908341E-01 -0.55901492E-01 -0.27898762E-01 -0.11993699E-13 -0.91960074E-14 -0.45894522E-14 0.33915210E-15 0.36801763E-16 0.95685588E-02 -0.38307992E-15 0.10074515E-14 0.22947369E-16 0.12130812E-02 0.23928569E-15 -0.35157680E-15 0.36640424E-14 -0.30475341E-14 -0.17735846E-13 0.12387032E-14 0.93730918E-01 0.32475817E-02 0.59772839E-02 0.96723736E-02 0.12714606E-01 0.10905244E-01 0.37286880E-02 0.21740825E-02 0.97007138E-03 -0.28646338E-02 -0.20180964E-12 -0.15548345E-12 -0.68265610E-13 0.89726886E+00 0.69129729E+00 0.30351674E+00 0.11078994E+01 0.85357673E+00 0.37476616E+00 -0.11070026E-01 -0.13948942E-13 0.58903491E-01 0.71329483E-01 -0.36231867E-02 -0.10058512E-14 0.27838881E-02 0.40027887E-02 0.27068274E-02 -0.14876593E-01 0.18711862E-01 0.71278538E-14 -0.34660657E-14 -0.17097552E-01 -0.32475817E-02 -0.59772839E-02 -0.96723736E-02 -0.12714606E-01 -0.10905244E-01 -0.37286880E-02 -0.21740825E-02 -0.97007138E-03 0.28646338E-02 0.23460372E-12 0.18074952E-12 0.79358773E-13 0.89726886E+00 0.69129729E+00 0.30351674E+00 -0.11078994E+01 -0.85357673E+00 -0.37476616E+00 0.11070026E-01 0.16128442E-13 0.58903491E-01 -0.71329483E-01 0.36231867E-02 0.10491727E-14 0.27838881E-02 -0.40027887E-02 -0.27068274E-02 0.14876593E-01 -0.18711862E-01 0.58494747E-14 0.21608028E-14 -0.17097552E-01 -0.26074836E-14 -0.44227857E-14 -0.50351852E-14 -0.35055129E-14 -0.89434247E-15 -0.25195570E-14 0.16181864E-02 0.20874339E-15 MO 11 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.1883276 -0.91916341E-15 -0.16956770E-14 -0.27373485E-14 -0.35632144E-14 -0.30404973E-14 -0.10498106E-14 0.33614825E-14 0.15493042E-14 -0.43444107E-14 -0.33020665E-14 -0.25318152E-14 -0.12635532E-14 -0.14816542E-13 -0.11360385E-13 -0.56696282E-14 -0.57293829E-13 -0.43929274E-13 -0.21923787E-13 0.24193504E-13 -0.34477690E-15 0.24743909E-14 -0.87598959E-14 0.24511915E-13 0.96136067E-18 0.22701680E-15 0.15171890E-14 -0.45754063E-14 0.20657721E-13 -0.17738499E-13 0.10830363E+00 -0.16024470E-15 0.13125499E-13 -0.17260972E-14 -0.31769403E-14 -0.51408891E-14 -0.67578426E-14 -0.57961624E-14 -0.19818064E-14 0.56234982E-15 0.25091939E-15 -0.74096833E-15 0.13558285E+01 0.10445928E+01 0.45863249E+00 0.14837758E-12 0.11431692E-12 0.50191287E-13 0.47994820E-12 0.36977421E-12 0.16235080E-12 0.25551546E-14 0.92788274E-01 0.16808313E-13 0.30752203E-13 -0.19442261E-13 0.64962109E-02 0.30282181E-14 -0.46354044E-16 -0.30222011E-14 -0.10210477E-13 0.22273685E-15 -0.40099335E-01 0.22392489E-01 -0.48999307E-14 -0.21761755E-14 -0.40053247E-14 -0.64813714E-14 -0.85199441E-14 -0.73075065E-14 -0.24985606E-14 -0.13635060E-16 -0.60839372E-17 0.17965948E-16 -0.13558285E+01 -0.10445928E+01 -0.45863249E+00 0.13658309E-12 0.10522991E-12 0.46201597E-13 0.14559424E-12 0.11217251E-12 0.49249775E-13 0.56860577E-14 -0.92788274E-01 0.23147249E-14 0.10382293E-13 -0.16654836E-13 -0.64962109E-02 -0.18573361E-14 -0.11933823E-14 -0.37001322E-14 -0.59396267E-14 -0.34550931E-14 -0.40099335E-01 -0.22392489E-01 0.81285579E-15 -0.12454088E-13 -0.21124490E-13 -0.24049485E-13 -0.14903127E-13 -0.11784076E-13 -0.69210390E-15 -0.35169975E-17 0.29960746E-14 MO 12 MO 0. OCC NO = 2.0000000 ORB. ENERGY = -0.1853055 0.16440141E-02 0.30328851E-02 0.48960169E-02 0.63731592E-02 0.54382283E-02 0.18776895E-02 -0.32414818E-02 -0.14939960E-02 0.41893207E-02 0.10617617E-14 0.81409155E-15 0.40628874E-15 0.43777004E-15 0.33565430E-15 0.16751502E-15 -0.20485919E+00 -0.15707304E+00 -0.78390454E-01 -0.19383023E-01 0.15402398E-15 -0.22614904E-14 -0.36658076E-02 -0.18987697E-02 -0.46312070E-18 -0.13457127E-15 0.61367607E-03 -0.59317254E-02 0.63841864E-01 -0.64032243E-01 -0.27945291E-13 0.71540579E-15 0.50370806E-15 -0.52521498E-02 -0.96667594E-02 -0.15642641E-01 -0.20562690E-01 -0.17636500E-01 -0.60302188E-02 -0.56501612E-02 -0.25210909E-02 0.74448153E-02 -0.34627860E-12 -0.26678900E-12 -0.11713474E-12 0.23389523E-01 0.18020366E-01 0.79119114E-02 0.12252558E+01 0.94399358E+00 0.41446403E+00 0.12234358E-01 -0.24022089E-13 0.10768208E-02 0.82285813E-01 0.39539767E-02 -0.16303915E-14 0.38969476E-03 0.48002253E-02 -0.48315857E-02 -0.56669261E-02 0.34009425E-02 0.11162655E-13 -0.70095075E-14 -0.22149149E-01 -0.52521498E-02 -0.96667594E-02 -0.15642641E-01 -0.20562690E-01 -0.17636500E-01 -0.60302188E-02 -0.56501612E-02 -0.25210909E-02 0.74448153E-02 0.35070484E-12 0.27019917E-12 0.11863199E-12 -0.23389523E-01 -0.18020366E-01 -0.79119114E-02 0.12252558E+01 0.94399358E+00 0.41446403E+00 0.12234358E-01 0.23920700E-13 -0.10768208E-02 0.82285813E-01 0.39539767E-02 0.16340155E-14 -0.38969476E-03 0.48002253E-02 -0.48315857E-02 -0.56669261E-02 0.34009425E-02 0.93558014E-14 0.54268186E-14 0.22149149E-01 -0.46606863E-01 -0.79054060E-01 -0.90000254E-01 -0.61419635E-01 -0.48996275E-02 -0.19529193E-14 0.44206302E-16 0.94257513E-02 END DATA THE RHF ENERGY = -188.209663369086 THE VIRIAL(-V/T)= 2.00251408 avogadrolibs-1.100.0/avogadro/qtplugins/quantuminput/000077500000000000000000000000001474375334400227455ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/quantuminput/CMakeLists.txt000066400000000000000000000022201474375334400255010ustar00rootroot00000000000000# Extension set(quantuminput_srcs quantuminput.cpp ) avogadro_plugin(QuantumInput "Quantum input file generation" ExtensionPlugin quantuminput.h QuantumInput "${quantuminput_srcs}" ) target_link_libraries(QuantumInput PRIVATE Avogadro::IO Avogadro::MoleQueue) set(_prefix "${AvogadroLibs_SOURCE_DIR}/../avogadrogenerators") # Look in parallel directory for the avogadrogenerators repository. if(EXISTS "${_prefix}/generators.cmake") # Bundled generator scripts, include("${_prefix}/generators.cmake") # message("We have ${input_generators}") unset(_generators) foreach(gen ${input_generators}) list(APPEND _generators "${_prefix}/${gen}") endforeach() # debugging info with paths # message("We have ${_generators}") option(INSTALL_TEST_INPUT_GENERATOR "Install a dummy input generator that is used to test generator scripts." OFF) if(INSTALL_TEST_INPUT_GENERATOR) list(APPEND _generators "${_prefix}/${test_generator}") endif() install(PROGRAMS ${_generators} DESTINATION "${INSTALL_LIBRARY_DIR}/avogadro2/scripts/inputGenerators/") else() message("Avogadro Generators not found at ${_prefix}!") endif() avogadrolibs-1.100.0/avogadro/qtplugins/quantuminput/quantuminput.cpp000066400000000000000000000124151474375334400262260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "quantuminput.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using MoleQueue::InputGenerator; using MoleQueue::InputGeneratorDialog; using MoleQueue::JobObject; QuantumInput::QuantumInput(QObject* parent_) : ExtensionPlugin(parent_), m_molecule(nullptr), m_outputFormat(nullptr) { refreshGenerators(); } QuantumInput::~QuantumInput() { qDeleteAll(m_dialogs.values()); m_dialogs.clear(); } QList QuantumInput::actions() const { return m_actions; } QStringList QuantumInput::menuPath(QAction* action) const { QStringList path; if (action == nullptr) return path; path << tr("&Input"); return path; } void QuantumInput::setMolecule(QtGui::Molecule* mol) { if (m_molecule == mol) return; m_molecule = mol; foreach (InputGeneratorDialog* dlg, m_dialogs.values()) dlg->setMolecule(mol); } void QuantumInput::openJobOutput(const JobObject& job) { m_outputFormat = nullptr; m_outputFileName.clear(); QString outputPath(job.value("outputDirectory").toString()); using QtGui::FileFormatDialog; FileFormatDialog::FormatFilePair result = FileFormatDialog::fileToRead( qobject_cast(parent()), tr("Open Output File"), outputPath); if (result.first == nullptr) // User canceled return; m_outputFormat = result.first; m_outputFileName = result.second; emit moleculeReady(1); } bool QuantumInput::readMolecule(QtGui::Molecule& mol) { Io::FileFormat* reader = m_outputFormat->newInstance(); bool success = reader->readFile(m_outputFileName.toStdString(), mol); if (!success) { QMessageBox::information(qobject_cast(parent()), tr("Error"), tr("Error reading output file '%1':\n%2") .arg(m_outputFileName) .arg(QString::fromStdString(reader->error()))); } m_outputFormat = nullptr; m_outputFileName.clear(); return success; } void QuantumInput::refreshGenerators() { updateInputGeneratorScripts(); updateActions(); } void QuantumInput::menuActivated() { auto* theSender = qobject_cast(sender()); if (!theSender) return; QString scriptFileName = theSender->data().toString(); QWidget* theParent = qobject_cast(parent()); InputGeneratorDialog* dlg = m_dialogs.value(scriptFileName, nullptr); if (!dlg) { dlg = new InputGeneratorDialog(scriptFileName, theParent); connect(&dlg->widget(), SIGNAL(openJobOutput(const MoleQueue::JobObject&)), this, SLOT(openJobOutput(const MoleQueue::JobObject&))); m_dialogs.insert(scriptFileName, dlg); } dlg->setMolecule(m_molecule); dlg->show(); dlg->raise(); } void QuantumInput::updateInputGeneratorScripts() { m_inputGeneratorScripts = QtGui::ScriptLoader::scriptList("inputGenerators"); } void QuantumInput::updateActions() { m_actions.clear(); foreach (const QString& programName, m_inputGeneratorScripts.uniqueKeys()) { QStringList scripts = m_inputGeneratorScripts.values(programName); // Include the full path if there are multiple generators with the same // name. QString label = programName; if (!label.endsWith("…") && !label.endsWith("...")) label.append("…"); if (scripts.size() == 1) { addAction(label, scripts.first()); } else { foreach (const QString& filePath, scripts) { addAction(QString("%1 (%2)").arg(label, filePath), filePath); } } } } void QuantumInput::addAction(const QString& label, const QString& scriptFilePath) { auto* action = new QAction(label, this); action->setData(scriptFilePath); action->setEnabled(true); connect(action, SIGNAL(triggered()), SLOT(menuActivated())); m_actions << action; } bool QuantumInput::queryProgramName(const QString& scriptFilePath, QString& displayName) { InputGenerator gen(scriptFilePath); displayName = gen.displayName(); if (gen.hasErrors()) { displayName.clear(); qWarning() << "QuantumInput::queryProgramName: Unable to retrieve program " "name for" << scriptFilePath << ";" << gen.errorList().join("\n\n"); return false; } return true; } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/quantuminput/quantuminput.h000066400000000000000000000043521474375334400256740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_QUANTUMINPUT_H #define AVOGADRO_QTPLUGINS_QUANTUMINPUT_H #include #include #include class QAction; class QDialog; namespace Avogadro { namespace Io { class FileFormat; } namespace MoleQueue { class InputGeneratorDialog; class JobObject; } // namespace MoleQueue namespace QtPlugins { /** * @brief The QuantumInput class implements the extension interface for * simulation input generators. * @author Allison Vacanti */ class QuantumInput : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit QuantumInput(QObject* parent = nullptr); ~QuantumInput() override; QString name() const override { return tr("Quantum input"); } QString description() const override { return tr("Generate input for quantum codes."); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule* mol) override; public slots: /** * Scan for new scripts in the input generator directories. */ void refreshGenerators(); /** * Emitted when the user requests that a job's output be loaded in Avogadro. */ void openJobOutput(const MoleQueue::JobObject& job); bool readMolecule(QtGui::Molecule& mol) override; private slots: void menuActivated(); private: void updateInputGeneratorScripts(); void updateActions(); void addAction(const QString& label, const QString& scriptFilePath); bool queryProgramName(const QString& scriptFilePath, QString& displayName); QList m_actions; QtGui::Molecule* m_molecule; // keyed on script file path QMap m_dialogs; // maps program name --> script file path QMultiMap m_inputGeneratorScripts; const Io::FileFormat* m_outputFormat; QString m_outputFileName; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_QUANTUMINPUT_H avogadrolibs-1.100.0/avogadro/qtplugins/resetview/000077500000000000000000000000001474375334400222105ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/resetview/CMakeLists.txt000066400000000000000000000005721474375334400247540ustar00rootroot00000000000000if(QT_VERSION EQUAL 6) find_package(Qt6 REQUIRED COMPONENTS OpenGLWidgets) endif() avogadro_plugin(ResetView "Manipulate the view camera." ExtensionPlugin resetview.h ResetView "resetview.cpp" "" ) target_link_libraries(ResetView PRIVATE Avogadro::QtOpenGL) if(QT_VERSION EQUAL 6) target_link_libraries(ResetView PRIVATE Qt6::OpenGLWidgets) endif() avogadrolibs-1.100.0/avogadro/qtplugins/resetview/resetview.cpp000066400000000000000000000175531474375334400247440ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "resetview.h" #include #include #include #include #include #include #include #include #define CAMERA_NEAR_DISTANCE 13.35f // Experimental number namespace Avogadro::QtPlugins { using Avogadro::QtGui::ExtensionPlugin; using Core::Array; using Eigen::Affine3f; using Eigen::EigenSolver; using Eigen::Matrix3d; using Eigen::Matrix3f; using Eigen::Quaternionf; using Eigen::Vector3d; using Rendering::Projection; using std::numeric_limits; const float ResetView::DELTA_TIME = 100.0f / 3.0f; // 33.3 ms ~ 30 fps const int ResetView::TOTAL_FRAMES = 25; // ~1 sec ResetView::ResetView(QObject* parent_) : ExtensionPlugin(parent_), m_centerAction(new QAction(tr("Center"), this)), m_viewToAxesAction(new QAction(tr("Align View to Axes"), this)) { m_centerAction->setProperty("menu priority", 210); m_viewToAxesAction->setProperty("menu priority", 200); connect(m_centerAction, SIGNAL(triggered()), SLOT(centerView())); connect(m_viewToAxesAction, SIGNAL(triggered()), SLOT(alignToAxes())); } ResetView::~ResetView() {} void ResetView::registerCommands() { emit registerCommand("alignView", tr("Align view to axes.")); } bool ResetView::handleCommand(const QString& command, const QVariantMap& options) { if (m_molecule == nullptr || m_camera == nullptr) return false; // Nothing to do if (command == "alignView") { animationCameraDefault(false); return true; } return false; } QList ResetView::actions() const { QList result; return result << m_centerAction << m_viewToAxesAction; } QStringList ResetView::menuPath(QAction*) const { return QStringList() << tr("&View"); } void ResetView::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void ResetView::setCamera(Rendering::Camera* camera) { m_camera = camera; } void ResetView::setActiveWidget(QWidget* widget) { if (widget != nullptr) { m_glWidget = widget; connect(this, SIGNAL(updateRequested()), m_glWidget, SLOT(requestUpdate())); } } bool ResetView::defaultChecks() { if (m_molecule == nullptr || m_camera == nullptr) return true; // Check for 3D coordinates - it's useless to consider the camera otherwise if (m_molecule->atomPositions3d().size() != m_molecule->atomCount()) return true; // no need to animate when there are no atoms if (m_molecule->atomCount() == 0) { animationCameraDefault(false); return true; } return false; } inline float getZDistance(const Affine3f& projection, float x, Projection perspective) { if (perspective == Projection::Perspective) { float fov = 2.0f * std::atan(1.0f / projection(1, 1)); // float aspect = projection(1,1) / projection(0,0); // tan (fov/2) = (x/2) / z -> z = (x/2) / tan (fov/2) return std::max(CAMERA_NEAR_DISTANCE, (x / 2.0f) / std::tan(fov / 2.0f)); } else { return 3.0f * CAMERA_NEAR_DISTANCE; } } inline void getBB(const Array& mols, Vector3& min, Vector3& max) { if (mols.size() > 0) { min = mols[0]; max = mols[0]; for (size_t i = 1; i < mols.size(); ++i) { min.x() = std::min(mols[i].x(), min.x()); max.x() = std::max(mols[i].x(), max.x()); min.y() = std::min(mols[i].y(), min.y()); max.y() = std::max(mols[i].y(), max.y()); min.z() = std::min(mols[i].z(), min.z()); max.z() = std::max(mols[i].z(), max.z()); } } else { min = max = Vector3(0, 0, 0); } } // namespace QtPlugins void ResetView::animationCameraDefault(bool animate) { Matrix3f linearGoal; linearGoal.row(0) = Vector3f::UnitX(); linearGoal.row(1) = Vector3f::UnitY(); linearGoal.row(2) = Vector3f::UnitZ(); // calculate the translation matrix auto goal = Affine3f(linearGoal); const Array& mols = m_molecule->atomPositions3d(); Vector3 min, max; getBB(mols, min, max); Vector3f mid = (max.cast() + min.cast()) / 2.0f; float d = getZDistance(m_camera->projection(), max.x() - min.x(), m_camera->projectionType()); Vector3f eye = -mid + (Vector3f::UnitZ() * -d); goal.translate(eye); animationCamera(goal, animate); } void ResetView::animationCamera(const Affine3f& goal, bool animate) { if (animate) { Matrix3f rot_aux = goal.rotation(); Vector3f posGoal = goal.translation(); auto rotGoal = Quaternionf(rot_aux); Affine3f start = m_camera->modelView(); rot_aux = start.rotation(); Vector3f posStart = start.translation(); auto rotStart = Quaternionf(rot_aux); for (int frame = 0; frame <= ResetView::TOTAL_FRAMES; ++frame) { Affine3f interpolation; float alpha = frame / float(ResetView::TOTAL_FRAMES); interpolation.fromPositionOrientationScale( ((1.0f - alpha) * posStart) + (alpha * posGoal), rotStart.slerp(alpha, rotGoal), Vector3f(1.0f, 1.0f, 1.0f)); float time = frame * ResetView::DELTA_TIME; QTimer::singleShot(time, this, [this, interpolation]() { m_camera->setModelView(interpolation); emit updateRequested(); }); } } else { m_camera->setModelView(goal); emit updateRequested(); } } // Calculate the oriented bounding box to get the most significand // axis base and the centroid inline void getOBB(const Array& mols, Vector3d& centroid, Vector3d& min, Vector3d& mid, Vector3d& max) { centroid = Vector3::Zero(); for (const auto& mol : mols) centroid += mol; centroid /= (double)mols.size(); Matrix3d covariance = Matrix3::Zero(); for (const auto& mol : mols) { Vector3d adjusted = mol - centroid; covariance += adjusted * adjusted.transpose(); } covariance /= (double)mols.size(); auto solver = EigenSolver(covariance); Eigen::Matrix3d vectors = solver.eigenvectors().real(); max = vectors.row(0); mid = vectors.row(1); min = vectors.row(2); } void ResetView::centerView() { if (defaultChecks()) return; const Array& mols = m_molecule->atomPositions3d(); Vector3d centroid, min, mid, max; getOBB(mols, centroid, min, mid, max); Matrix3f linearGoal; linearGoal.col(0) = (max.normalized()).cast(); // x linearGoal.col(1) = (mid.normalized()).cast(); // y linearGoal.col(2) = (min.normalized()).cast(); // z // calculate the translation matrix auto goal = Affine3f(linearGoal); // eigen return the eigenvectors normalized, but we need a non-normalized // so we project all the points to the axis and get the min/max float infinity = numeric_limits::infinity(); Vector3f minScreen{ infinity, infinity, infinity }; Vector3f maxScreen{ -infinity, -infinity, -infinity }; for (const auto& atom : mols) { Vector3f aux = linearGoal * Vector3f(atom.x(), atom.y(), atom.z()); minScreen.x() = std::min(aux.x(), minScreen.x()); maxScreen.x() = std::max(aux.x(), maxScreen.x()); minScreen.y() = std::min(aux.y(), minScreen.y()); maxScreen.y() = std::max(aux.y(), maxScreen.y()); minScreen.z() = std::min(aux.z(), minScreen.z()); maxScreen.z() = std::max(aux.z(), maxScreen.z()); } Vector3f midScreen = (maxScreen + minScreen) / 2.0f; float d = getZDistance(m_camera->projection(), maxScreen.x() - minScreen.x(), m_camera->projectionType()); midScreen.z() = 0; Vector3f eye = -midScreen + (Vector3f::UnitZ() * -d); goal.pretranslate(eye); animationCamera(goal); } void ResetView::alignToAxes() { if (defaultChecks()) return; animationCameraDefault(); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/resetview/resetview.h000066400000000000000000000035031474375334400243770ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_RESETVIEW_H #define AVOGADRO_QTPLUGINS_RESETVIEW_H #include #include namespace Avogadro { namespace QtPlugins { /** * @brief The ResetView class is an extension to center the camera in the best * fit panel or the default camera position */ class ResetView : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit ResetView(QObject* parent_ = nullptr); ~ResetView() override; QString name() const override { return tr("Reset view"); } QString description() const override { return tr("Manipulate the view camera."); } QList actions() const override; QStringList menuPath(QAction*) const override; bool handleCommand(const QString& command, const QVariantMap& options) override; void registerCommands() override; public slots: void setMolecule(QtGui::Molecule* mol) override; void setCamera(Rendering::Camera* camera) override; void setActiveWidget(QWidget* widget) override; signals: void updateRequested(); private slots: void centerView(); void alignToAxes(); private: QtGui::Molecule* m_molecule; Rendering::Camera* m_camera; QAction* m_centerAction; QAction* m_viewToAxesAction; QWidget* m_glWidget; static const float DELTA_TIME; static const int TOTAL_FRAMES; bool defaultChecks(); void animationCamera(const Eigen::Affine3f& goal, bool animate = true); void animationCameraDefault(bool animate = true); }; } // namespace QtPlugins } // namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/qtplugins/scriptcharges/000077500000000000000000000000001474375334400230345ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/scriptcharges/CMakeLists.txt000066400000000000000000000005041474375334400255730ustar00rootroot00000000000000set(scriptcharges_srcs scriptchargemodel.cpp scriptcharges.cpp ) avogadro_plugin(ScriptCharges "Scriptable electrostatics models" ExtensionPlugin scriptcharges.h ScriptCharges "${scriptcharges_srcs}" "" ) target_link_libraries(ScriptCharges PRIVATE Avogadro::Calc ) # charge scripts are now download only avogadrolibs-1.100.0/avogadro/qtplugins/scriptcharges/scriptchargemodel.cpp000066400000000000000000000266541474375334400272540ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "scriptchargemodel.h" #include #include // formats supported in scripts #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { ScriptChargeModel::ScriptChargeModel(const QString& scriptFileName_) : m_interpreter(new QtGui::PythonScript(scriptFileName_)), m_valid(false), m_partialCharges(false), m_electrostatics(false), m_inputFormat(NotUsed) { m_elements.reset(); readMetaData(); } ScriptChargeModel::~ScriptChargeModel() { delete m_interpreter; } QString ScriptChargeModel::scriptFilePath() const { return m_interpreter->scriptFilePath(); } Calc::ChargeModel* ScriptChargeModel::newInstance() const { return new ScriptChargeModel(m_interpreter->scriptFilePath()); } MatrixX ScriptChargeModel::partialCharges(const Core::Molecule& mol) const { MatrixX charges(mol.atomCount(), 1); // check to see if we already have them in the molecule charges = mol.partialCharges(m_identifier); // if there's a non-zero charge, then we're done for (unsigned int i = 0; i < charges.rows(); ++i) { if (abs(charges(i, 0)) > 0.00001) return charges; } // Create the intermediate format writer std::string intermediate; QScopedPointer format(createFileFormat(m_inputFormat)); if (format.isNull()) { appendError("Cannot create file format."); return charges; } if (!format->writeString(intermediate, mol)) { appendError(format->error(), false); return charges; } // Call the script to convert the file QByteArray result = m_interpreter->execute(QStringList() << "--charges", intermediate.c_str()); if (m_interpreter->hasErrors()) { foreach (const QString& err, m_interpreter->errorList()) { appendError(err.toStdString()); } return charges; } // parse the result - each charge should be on a line QString resultString = QString(result); QStringList lines = resultString.split('\n'); // keep a separate atom counter in case there is other text // (e.g., "normal termination, etc.") unsigned int atom = 0; for (unsigned int i = 0; i < lines.size(); ++i) { const QString& line = lines.at(i); if (line.isEmpty()) continue; bool ok; double charge = line.toDouble(&ok); if (!ok) { appendError("Invalid charge: " + line.toStdString()); continue; } charges(atom, 0) = charge; ++atom; } return charges; } MatrixX ScriptChargeModel::partialCharges(Core::Molecule& mol) const { // just create a copy of the const version MatrixX charges = partialCharges(static_cast(mol)); // cache them mol.setPartialCharges(m_identifier, charges); return charges; } double ScriptChargeModel::potential(Core::Molecule& mol, const Vector3& point) const { // just create an array of size one and run that Core::Array points; points.push_back(point); Core::Array results = potentials(mol, points); if (results.size() == 1) return results[0]; else return 0.0; } Core::Array ScriptChargeModel::potentials( Core::Molecule& mol, const Core::Array& points) const { // first off, if the script doesn't handle potentials // call the parent class (default method from partial charges) if (!m_electrostatics) return Calc::ChargeModel::potentials(mol, points); // Create the intermediate format writer std::string intermediate; QScopedPointer format(createFileFormat(m_inputFormat)); Core::Array potentials(points.size(), 0.0); if (format.isNull()) { appendError("Cannot create file format."); return potentials; } if (!format->writeString(intermediate, mol)) { appendError(format->error(), false); return potentials; } // now we stuff the file and the points into JSON QJsonObject json; json[m_formatString] = QString::fromStdString(intermediate); QJsonArray pointsArray; for (const auto& i : points) { QJsonArray point; point << i.x() << i.y() << i.z(); pointsArray.append(point); } json["points"] = pointsArray; QJsonDocument doc(json); // Call the script to convert the file QByteArray result = m_interpreter->execute(QStringList() << "--potentials", doc.toJson()); if (m_interpreter->hasErrors()) { foreach (const QString& err, m_interpreter->errorList()) appendError(err.toStdString()); return potentials; } // parse the result - each potential should be on a line QString resultString = QString(result); QStringList lines = resultString.split('\n'); for (const QString& line : lines) { if (line.isEmpty()) continue; bool ok; double potential = line.toDouble(&ok); if (!ok) { appendError("Invalid potential: " + line.toStdString()); continue; } potentials.push_back(potential); } return potentials; } ScriptChargeModel::Format ScriptChargeModel::stringToFormat( const std::string& str) { if (str == "cjson") return Cjson; else if (str == "cml") return Cml; else if (str == "mdl" || str == "mol") return Mdl; else if (str == "sdf") return Sdf; else if (str == "pdb") return Pdb; else if (str == "xyz") return Xyz; return NotUsed; } Io::FileFormat* ScriptChargeModel::createFileFormat( ScriptChargeModel::Format fmt) { switch (fmt) { case Cjson: return new Io::CjsonFormat; case Cml: return new Io::CmlFormat; case Mdl: return new Io::MdlFormat; case Pdb: return new Io::PdbFormat; case Sdf: return new Io::SdfFormat; case Xyz: return new Io::XyzFormat; default: case NotUsed: return nullptr; } } void ScriptChargeModel::resetMetaData() { m_valid = false; m_partialCharges = false; m_electrostatics = false; m_inputFormat = NotUsed; m_identifier.clear(); m_name.clear(); m_description.clear(); m_formatString.clear(); } void ScriptChargeModel::readMetaData() { resetMetaData(); QByteArray output(m_interpreter->execute(QStringList() << "--metadata")); if (m_interpreter->hasErrors()) { qWarning() << "Error retrieving metadata for charge script:" << scriptFilePath() << "\n" << m_interpreter->errorList(); return; } QJsonParseError parseError; QJsonDocument doc(QJsonDocument::fromJson(output, &parseError)); if (parseError.error != QJsonParseError::NoError) { qWarning() << "Error parsing metadata for charge script:" << scriptFilePath() << "\n" << parseError.errorString() << "(at offset" << parseError.offset << ")"; return; } if (!doc.isObject()) { qWarning() << "Error parsing metadata for charge script:" << scriptFilePath() << "\nResult is not a JSON object:\n" << output; return; } const QJsonObject metaData(doc.object()); // Read required inputs first. std::string identifierTmp; if (!parseString(metaData, "identifier", identifierTmp)) { qWarning() << "Error parsing metadata for charge script:" << scriptFilePath() << "\n" << "Error parsing required member 'identifier'" << "\n" << output; return; } m_identifier = identifierTmp; std::string nameTmp; if (!parseString(metaData, "name", nameTmp)) { qWarning() << "Error parsing metadata for charge script:" << scriptFilePath() << "\n" << "Error parsing required member 'name'" << "\n" << output; return; } m_name = nameTmp; std::string descriptionTmp; parseString(metaData, "description", descriptionTmp); m_description = descriptionTmp; // optional Format inputFormatTmp = NotUsed; std::string inputFormatStrTmp; if (!parseString(metaData, "inputFormat", inputFormatStrTmp)) { qWarning() << "Error parsing metadata for charge script:" << scriptFilePath() << "\n" << "Member 'inputFormat' required for writable formats." << "\n" << output; return; } m_formatString = inputFormatStrTmp.c_str(); // for the json key // Validate the input format inputFormatTmp = stringToFormat(inputFormatStrTmp); if (inputFormatTmp == NotUsed) { qWarning() << "Error parsing metadata for charge script:" << scriptFilePath() << "\n" << "Member 'inputFormat' not recognized:" << inputFormatStrTmp.c_str() << "\nValid values are cjson, cml, mdl/sdf, pdb, or xyz.\n" << output; return; } m_inputFormat = inputFormatTmp; // check if we handle charges and/or potentials if (!metaData["charges"].isBool()) { return; // not valid } m_partialCharges = metaData["charges"].toBool(); if (!metaData["potential"].isBool()) { return; // not valid } m_electrostatics = metaData["potential"].toBool(); // get the element mask // (if it doesn't exist, the default is no elements anyway) m_valid = parseElements(metaData); } bool ScriptChargeModel::parseString(const QJsonObject& ob, const QString& key, std::string& str) { if (!ob[key].isString()) return false; str = ob[key].toString().toStdString(); return !str.empty(); } void ScriptChargeModel::processElementString(const QString& str) { // parse the QString // first turn any commas into whitespace QString str2(str); str2.replace(',', ' '); // then split on whitespace QStringList strList = str2.split(QRegularExpression("\\s+"), Qt::SkipEmptyParts); foreach (QString sstr, strList) { // these should be numbers or ranges (e.g., 1-84) if (sstr.contains('-')) { // range, so split on the dash QStringList strList2 = sstr.split('-'); if (strList2.size() != 2) return; // get the two numbers bool ok; int start = strList2[0].toInt(&ok); if (!ok || start < 1 || start > 119) return; int end = strList2[1].toInt(&ok); if (!ok || end < 1 || end > 119) return; for (int i = start; i <= end; ++i) m_elements.set(i); } bool ok; int i = sstr.toInt(&ok); if (!ok || i < 1 || i > 119) return; m_elements.set(i); } } bool ScriptChargeModel::parseElements(const QJsonObject& ob) { m_elements.reset(); // we could either get a string or an array (of numbers) if (ob["elements"].isString()) { auto str = ob["elements"].toString(); processElementString(str); } else if (ob["elements"].isArray()) { QJsonArray arr = ob["elements"].toArray(); for (auto&& i : arr) { if (i.isString()) { processElementString(i.toString()); } else if (i.isDouble()) { int element = i.toInt(); if (element >= 1 && element <= 119) // check the range m_elements.set(element); } } } return true; } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/scriptcharges/scriptchargemodel.h000066400000000000000000000047271474375334400267160ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SCRIPTCHARGEMODEL_H #define AVOGADRO_QTPLUGINS_SCRIPTCHARGEMODEL_H #include #include #include class QJsonObject; namespace Avogadro { namespace Io { class FileFormat; } namespace QtGui { class PythonScript; } namespace QtPlugins { class ScriptChargeModel : public Avogadro::Calc::ChargeModel { public: /** Formats that may be written to the script's input. */ enum Format { NotUsed, Cjson, Cml, Mdl, Pdb, Sdf, Xyz }; ScriptChargeModel(const QString& scriptFileName = ""); ~ScriptChargeModel() override; QString scriptFilePath() const; Format inputFormat() const { return m_inputFormat; } bool isValid() const { return m_valid; } ChargeModel* newInstance() const override; std::string identifier() const override { return m_identifier; } std::string name() const override { return m_name; } Core::Molecule::ElementMask elements() const override { return m_elements; } MatrixX partialCharges(Core::Molecule& mol) const override; MatrixX partialCharges(const Core::Molecule& mol) const override; double potential(Core::Molecule& mol, const Vector3& point) const override; bool supportsCharges() const { return m_partialCharges; } bool supportsElectrostatics() const { return m_electrostatics; } Core::Array potentials( Core::Molecule& mol, const Core::Array& points) const override; private: static Format stringToFormat(const std::string& str); static Io::FileFormat* createFileFormat(Format fmt); void resetMetaData(); void readMetaData(); bool parseString(const QJsonObject& ob, const QString& key, std::string& str); void processElementString(const QString& str); bool parseElements(const QJsonObject& ob); private: QtGui::PythonScript* m_interpreter; Format m_inputFormat; Core::Molecule::ElementMask m_elements; bool m_valid; bool m_partialCharges; bool m_electrostatics; std::string m_identifier; std::string m_name; std::string m_description; QString m_formatString; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_SCRIPTCHARGEMODEL_H avogadrolibs-1.100.0/avogadro/qtplugins/scriptcharges/scriptcharges.cpp000066400000000000000000000040351474375334400264030ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "scriptcharges.h" #include "scriptchargemodel.h" #include #include #include #include #include namespace Avogadro::QtPlugins { ScriptCharges::ScriptCharges(QObject* p) : ExtensionPlugin(p) { refreshModels(); } ScriptCharges::~ScriptCharges() {} QList ScriptCharges::actions() const { return QList(); } QStringList ScriptCharges::menuPath(QAction*) const { return QStringList(); } void ScriptCharges::setMolecule(QtGui::Molecule*) {} void ScriptCharges::refreshModels() { unregisterModels(); qDeleteAll(m_models); m_models.clear(); QMultiMap scriptPaths = QtGui::ScriptLoader::scriptList("charges"); foreach (const QString& filePath, scriptPaths) { auto* model = new ScriptChargeModel(filePath); if (model->isValid()) m_models.push_back(model); else delete model; } registerModels(); } void ScriptCharges::unregisterModels() { for (QList::const_iterator it = m_models.constBegin(), itEnd = m_models.constEnd(); it != itEnd; ++it) { Calc::ChargeManager::unregisterModel((*it)->identifier()); } } void ScriptCharges::registerModels() { for (QList::const_iterator it = m_models.constBegin(), itEnd = m_models.constEnd(); it != itEnd; ++it) { if (!Calc::ChargeManager::registerModel((*it)->newInstance())) { qDebug() << "Could not register model" << (*it)->identifier().c_str() << "due to name conflict."; } } } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/scriptcharges/scriptcharges.h000066400000000000000000000025301474375334400260460ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SCRIPTCHARGES_H #define AVOGADRO_QTPLUGINS_SCRIPTCHARGES_H #include #include namespace Avogadro { namespace Calc{ class ChargeModel; } namespace QtPlugins { /** * @brief This extension registers ChargeModel electrostatics * implemented as external scripts. */ class ScriptCharges : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit ScriptCharges(QObject* parent = nullptr); ~ScriptCharges() override; QString name() const override { return tr("Script Charge Models"); } QString description() const override { return tr("Load electrostatic models from external scripts."); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule* mol) override; private: QList m_models; void refreshModels(); void unregisterModels(); void registerModels(); }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_SCRIPTCHARGES_H avogadrolibs-1.100.0/avogadro/qtplugins/scriptfileformats/000077500000000000000000000000001474375334400237335ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/scriptfileformats/CMakeLists.txt000066400000000000000000000007461474375334400265020ustar00rootroot00000000000000set(scriptfileformats_srcs scriptfileformats.cpp fileformatscript.cpp ) avogadro_plugin(ScriptFileFormats "Scriptable file formats" ExtensionPlugin scriptfileformats.h ScriptFileFormats "${scriptfileformats_srcs}" "" ) target_link_libraries(ScriptFileFormats PRIVATE Avogadro::QuantumIO) # Bundled format scripts: set(format_scripts formatScripts/zyx.py ) install(PROGRAMS ${format_scripts} DESTINATION "${INSTALL_LIBRARY_DIR}/avogadro2/scripts/formatScripts/") avogadrolibs-1.100.0/avogadro/qtplugins/scriptfileformats/fileformatscript.cpp000066400000000000000000000245061474375334400300230ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "fileformatscript.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { FileFormatScript::FileFormatScript(const QString& scriptFileName_) : m_interpreter(new QtGui::PythonScript(scriptFileName_)), m_valid(false), m_bondOnRead(false), m_inputFormat(NotUsed), m_outputFormat(NotUsed) { readMetaData(); } FileFormatScript::~FileFormatScript() { delete m_interpreter; } QString FileFormatScript::scriptFilePath() const { return m_interpreter->scriptFilePath(); } Io::FileFormat* FileFormatScript::newInstance() const { return new FileFormatScript(m_interpreter->scriptFilePath()); } bool FileFormatScript::read(std::istream& in, Core::Molecule& molecule) { // Create intermediate format reader QScopedPointer format(createFileFormat(m_outputFormat)); if (format.isNull()) { appendError("Invalid intermediate format enum value."); return false; } // Copy input into memory /// @todo would be nice to pass the stream to the interpreter directly... // Get length first: in.seekg(0, std::istream::end); std::istream::pos_type size = in.tellg(); // Construct byte array QByteArray buffer; buffer.resize(static_cast(size)); in.seekg(0, std::istream::beg); in.read(buffer.data(), size); // Call the script to convert the file QByteArray result = m_interpreter->execute(QStringList() << "--read", buffer); if (m_interpreter->hasErrors()) { foreach (const QString& err, m_interpreter->errorList()) appendError(err.toStdString()); return false; } if (!format->readString(std::string(result.constData(), result.size()), molecule)) { appendError(format->error(), false); return false; } if (m_bondOnRead) { molecule.perceiveBondsSimple(); molecule.perceiveBondOrders(); } return true; } bool FileFormatScript::write(std::ostream& out, const Core::Molecule& molecule) { // Create the intermediate format writer std::string intermediate; QScopedPointer format(createFileFormat(m_inputFormat)); if (format.isNull()) { appendError("Invalid intermediate format enum value."); return false; } if (!format->writeString(intermediate, molecule)) { appendError(format->error(), false); return false; } // Call the script to convert the file QByteArray result = m_interpreter->execute( QStringList() << "--write", QByteArray::fromRawData(intermediate.c_str(), intermediate.size())); if (m_interpreter->hasErrors()) { foreach (const QString& err, m_interpreter->errorList()) appendError(err.toStdString()); return false; } out.write(result.constData(), result.size()); return true; } FileFormatScript::Format FileFormatScript::stringToFormat( const std::string& str) { if (str == "cjson") return Cjson; else if (str == "cml") return Cml; else if (str == "mdl" || str == "mol") return Mdl; else if (str == "pdb") return Pdb; else if (str == "sdf") return Sdf; else if (str == "xyz") return Xyz; return NotUsed; } Io::FileFormat* FileFormatScript::createFileFormat(FileFormatScript::Format fmt) { switch (fmt) { case Cjson: return new Io::CjsonFormat; case Cml: return new Io::CmlFormat; case Mdl: return new Io::MdlFormat; case Pdb: return new Io::PdbFormat; case Sdf: return new Io::SdfFormat; case Xyz: return new Io::XyzFormat; default: case NotUsed: return nullptr; } } void FileFormatScript::resetMetaData() { m_operations = Io::FileFormat::None; m_valid = false; m_bondOnRead = false; m_inputFormat = NotUsed; m_identifier.clear(); m_name.clear(); m_description.clear(); m_specificationUrl.clear(); m_fileExtensions.clear(); m_mimeTypes.clear(); } void FileFormatScript::readMetaData() { resetMetaData(); QByteArray output(m_interpreter->execute(QStringList() << "--metadata")); if (m_interpreter->hasErrors()) { qWarning() << "Error retrieving metadata for file format script:" << scriptFilePath() << "\n" << m_interpreter->errorList(); return; } QJsonParseError parseError; QJsonDocument doc(QJsonDocument::fromJson(output, &parseError)); if (parseError.error != QJsonParseError::NoError) { qWarning() << "Error parsing metadata for file format script:" << scriptFilePath() << "\n" << parseError.errorString() << "(at offset" << parseError.offset << ")"; return; } if (!doc.isObject()) { qWarning() << "Error parsing metadata for file format script:" << scriptFilePath() << "\nResult is not a JSON object:\n" << output; return; } const QJsonObject metaData(doc.object()); // Read required inputs first. std::vector opStringsTmp; if (!parseStringArray(metaData, "operations", opStringsTmp)) { qWarning() << "Error parsing metadata for file format script:" << scriptFilePath() << "\n" << "Error parsing required member 'operations'" << "\n" << output; return; } // validate operations: Operations operationsTmp = Io::FileFormat::None; for (auto& it : opStringsTmp) { if (it == "read") operationsTmp |= Io::FileFormat::Read; else if (it == "write") operationsTmp |= Io::FileFormat::Write; else { qWarning() << "Error parsing metadata for file format script:" << scriptFilePath() << "\n" << "Unrecognized operation:" << it.c_str() << "\n" << output; return; } } std::string identifierTmp; if (!parseString(metaData, "identifier", identifierTmp)) { qWarning() << "Error parsing metadata for file format script:" << scriptFilePath() << "\n" << "Error parsing required member 'operations'" << "\n" << output; return; } std::string nameTmp; if (!parseString(metaData, "name", nameTmp)) { qWarning() << "Error parsing metadata for file format script:" << scriptFilePath() << "\n" << "Error parsing required member 'name'" << "\n" << output; return; } // input format is required if write operations are supported: Format inputFormatTmp = NotUsed; if (operationsTmp & Io::FileFormat::Write) { std::string inputFormatStrTmp; if (!parseString(metaData, "inputFormat", inputFormatStrTmp)) { qWarning() << "Error parsing metadata for file format script:" << scriptFilePath() << "\n" << "Member 'inputFormat' required for writable formats." << "\n" << output; return; } // Validate the input format inputFormatTmp = stringToFormat(inputFormatStrTmp); if (inputFormatTmp == NotUsed) { qWarning() << "Error parsing metadata for file format script:" << scriptFilePath() << "\n" << "Member 'inputFormat' not recognized:" << inputFormatStrTmp.c_str() << "\nValid values are cjson, cml, mdl/sdf, pdb, or xyz.\n" << output; return; } } // output format is required if read operations are supported: Format outputFormatTmp = NotUsed; if (operationsTmp & Io::FileFormat::Read) { std::string outputFormatStrTmp; if (!parseString(metaData, "outputFormat", outputFormatStrTmp)) { qWarning() << "Error parsing metadata for file format script:" << scriptFilePath() << "\n" << "Member 'outputFormat' required for readable formats." << "\n" << output; return; } // Validate the output format outputFormatTmp = stringToFormat(outputFormatStrTmp); if (outputFormatTmp == NotUsed) { qWarning() << "Error parsing metadata for file format script:" << scriptFilePath() << "\n" << "Member 'outputFormat' not recognized:" << outputFormatStrTmp.c_str() << "\nValid values are cjson, cml, mdl/sdf, pdb, or xyz.\n" << output; return; } } // If all required data is present, go ahead and set the member vars: m_operations = operationsTmp | Io::FileFormat::File | Io::FileFormat::Stream | Io::FileFormat::String; m_inputFormat = inputFormatTmp; m_outputFormat = outputFormatTmp; m_identifier = std::string("User Script: ") + identifierTmp; m_name = nameTmp; // check if we should bond on read: if (metaData["bond"].isBool()) { m_bondOnRead = metaData["bond"].toBool(); } // Everything else is optional: parseString(metaData, "description", m_description); parseString(metaData, "specificationUrl", m_specificationUrl); parseStringArray(metaData, "fileExtensions", m_fileExtensions); parseStringArray(metaData, "mimeTypes", m_mimeTypes); m_valid = true; } bool FileFormatScript::parseString(const QJsonObject& ob, const QString& key, std::string& str) { if (!ob[key].isString()) return false; str = ob[key].toString().toStdString(); return !str.empty(); } bool FileFormatScript::parseStringArray(const QJsonObject& ob, const QString& key, std::vector& array) { array.clear(); if (!ob[key].isArray()) return false; foreach (const QJsonValue& val, ob[key].toArray()) { if (!val.isString()) return false; array.push_back(val.toString().toStdString()); if (array.back().empty()) return false; } return !array.empty(); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/scriptfileformats/fileformatscript.h000066400000000000000000000141671474375334400274720ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_FILEFORMATSCRIPT_H #define AVOGADRO_QTPLUGINS_FILEFORMATSCRIPT_H #include #include #include class QJsonObject; namespace Avogadro { namespace QtGui { class PythonScript; } namespace QtPlugins { /** * @brief The FileFormatScript class interfaces with external scripts that * implement chemical file reader/writers. * * Script Entry Points * =================== * * The script must handle the following command line arguments: * - `--metadata` Print metadata describing the format and the script's * abilities and exit. * - `--read` Read data from standard input and produce a standard * representation on standard output. * - `--write` Read a standard representation from standard input and write * the formatted result to standard output. * * Identify the Format with `--metadata` * ===================================== * * Running the script with the `--metadata` option should print a JSON object * of the following form: ~~~{.js} { "inputFormat": "cml", "outputFormat": "cml", "operations": ["read", "write"], "identifier": "Unique Name", "name": "User-friendly Name", "description": "Description of format.", "specificationUrl": "http://url.specifying.format/if/any/exist", "fileExtensions": ["ext"], "mimeTypes": ["chemical/x-ext"] } ~~~ * * Details: * - `inputFormat` indicates the format that the script can convert to the * implemented format by the `--write` command. Allowed values are `"cml"`, * `"cjson"`, or `"xyz"`. See the `--write` documentation for more detail. * - `outputFormat` indicates the format that the script can convert to from the * implemented format by the `--read` command. Allowed values are `"cml"`, * `"cjson"`, `"sdf"`, `"pdb"` or `"xyz"`. See the `--read` documentation for more detail. * - `operations` specifies the scripts capabilities. The array should contain * `"read"` if the script implements the `--read` option, and/or `"write"` if * `--write` is available. * - `identifier` is a unique identifier. The value must only be unique amongst * script formats, as it will be prefixed with "User Script: " internally by * Avogadro. * - `name` is a user-friendly name for the format. * - `description` is a description of the format, along with any relevant help * text for users. * - `specificationUrl` is the URL of the format specification if available * (or relevant web page/wiki otherwise). * - `fileExtensions` is an array specifying the file extensions that this * format supports. * - `mimeTypes` is an array specifying the mime types that this format * supports. * - `bond` is a boolean indicating whether the format expects Avogadro * to perceive bonds after reading the file. * * Required members are * - `operations` * - `inputFormat` (if `"write"` is specified in `operations`) * - `outputFormat` (if `"read"` is specified in `operations`) * - `identifier` * - `name` * * Optional members are * - `description` * - `specificationUrl` * - `fileExtensions` * - `mimeTypes` * * Reading a format with `--read` * ============================== * * If `"read"` is specified in the `operations` `--metadata` output along with * a valid `outputFormat`, Avogadro will call the script with `--read` and * write the implemented format to the script's standard input. The script shall * convert the input to `outputFormat` and print it to standard output. * * Writing a format with `--write` * =============================== * * If `"write"` is specified in the `operations` `--metadata` output along with * a valid `inputFormat`, Avogadro will call the script with `--write` and * write the `inputFormat` to the script's standard input. The script shall * convert the input to the implemented format and print it to standard output. */ class FileFormatScript : public Avogadro::Io::FileFormat { public: /** Formats that may be written to the script's input/output formats. */ enum Format { NotUsed, Cjson, Cml, Mdl, Pdb, Sdf, Xyz }; FileFormatScript(const QString& scriptFileName); ~FileFormatScript() override; QString scriptFilePath() const; Format inputFormat() const { return m_inputFormat; } Format outputFormat() const { return m_outputFormat; } bool isValid() const { return m_valid; } FileFormat* newInstance() const override; bool read(std::istream& in, Core::Molecule& molecule) override; bool write(std::ostream& out, const Core::Molecule& molecule) override; Operations supportedOperations() const override { return m_operations; } std::string identifier() const override { return m_identifier; } std::string name() const override { return m_name; } std::string description() const override { return m_description; } std::string specificationUrl() const override { return m_specificationUrl; } std::vector fileExtensions() const override { return m_fileExtensions; } std::vector mimeTypes() const override { return m_mimeTypes; } private: static Format stringToFormat(const std::string& str); static Io::FileFormat* createFileFormat(Format fmt); void resetMetaData(); void readMetaData(); bool parseString(const QJsonObject& ob, const QString& key, std::string& str); bool parseStringArray(const QJsonObject& ob, const QString& key, std::vector& array); private: QtGui::PythonScript* m_interpreter; bool m_valid; bool m_bondOnRead; Operations m_operations; Format m_inputFormat; Format m_outputFormat; std::string m_identifier; std::string m_name; std::string m_description; std::string m_specificationUrl; std::vector m_fileExtensions; std::vector m_mimeTypes; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_FILEFORMATSCRIPT_H avogadrolibs-1.100.0/avogadro/qtplugins/scriptfileformats/formatScripts/000077500000000000000000000000001474375334400265735ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/scriptfileformats/formatScripts/zyx.py000066400000000000000000000044301474375334400300000ustar00rootroot00000000000000# This source file is part of the Avogadro project. # This source code is released under the 3-Clause BSD License, (see "LICENSE"). import argparse import json import sys def getMetaData(): metaData = {} metaData['inputFormat'] = 'xyz' metaData['outputFormat'] = 'xyz' metaData['operations'] = ['read', 'write'] metaData['identifier'] = 'ZYX Example Format' metaData['name'] = 'ZYX' metaData['description'] = "Mostly useless file format that reads xyz-style " +\ "files with reversed coordinates. Demonstrates " +\ "the implementation of a user-scripted file format." metaData['fileExtensions'] = ['zyx'] metaData['mimeTypes'] = ['chemical/x-zyx'] return metaData def write(): result = "" # Just copy the first two lines: numAtoms and comment/title result += sys.stdin.readline() result += sys.stdin.readline() for line in sys.stdin: words = line.split() result += '%-3s %9.5f %9.5f %9.5f' %\ (words[0], float(words[3]), float(words[2]), float(words[1])) if len(words) > 4: result += words[4:].join(' ') result += '\n' return result def read(): result = "" # Just copy the first two lines: numAtoms and comment/title result += sys.stdin.readline() result += sys.stdin.readline() for line in sys.stdin: words = line.split() result += '%-3s %9.5f %9.5f %9.5f' %\ (words[0], float(words[3]), float(words[2]), float(words[1])) if len(words) > 4: result += words[4:].join(' ') result += '\n' return result if __name__ == "__main__": parser = argparse.ArgumentParser('Example file format script.') parser.add_argument('--metadata', action='store_true') parser.add_argument('--read', action='store_true') parser.add_argument('--write', action='store_true') parser.add_argument('--display-name', action='store_true') parser.add_argument('--lang', nargs='?', default='en') args = vars(parser.parse_args()) if args['metadata']: print(json.dumps(getMetaData())) elif args['display_name']: print(getMetaData()['name']) elif args['read']: print(read()) elif args['write']: print(write()) avogadrolibs-1.100.0/avogadro/qtplugins/scriptfileformats/scriptfileformats.cpp000066400000000000000000000043331474375334400302020ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "scriptfileformats.h" #include "fileformatscript.h" #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { ScriptFileFormats::ScriptFileFormats(QObject* p) : ExtensionPlugin(p) { refreshFileFormats(); } ScriptFileFormats::~ScriptFileFormats() {} QList ScriptFileFormats::actions() const { return QList(); } QStringList ScriptFileFormats::menuPath(QAction*) const { return QStringList(); } void ScriptFileFormats::setMolecule(QtGui::Molecule*) {} void ScriptFileFormats::refreshFileFormats() { unregisterFileFormats(); qDeleteAll(m_formats); m_formats.clear(); QMultiMap scriptPaths = QtGui::ScriptLoader::scriptList("formatScripts"); foreach (const QString& filePath, scriptPaths) { auto* format = new FileFormatScript(filePath); if (format->isValid()) m_formats.push_back(format); else delete format; } registerFileFormats(); } void ScriptFileFormats::unregisterFileFormats() { for (QList::const_iterator it = m_formats.constBegin(), itEnd = m_formats.constEnd(); it != itEnd; ++it) { Io::FileFormatManager::unregisterFormat((*it)->identifier()); } } void ScriptFileFormats::registerFileFormats() { for (QList::const_iterator it = m_formats.constBegin(), itEnd = m_formats.constEnd(); it != itEnd; ++it) { if (!Io::FileFormatManager::registerFormat((*it)->newInstance())) { qDebug() << "Could not register format" << (*it)->identifier().c_str() << "due to name conflict."; } } } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/scriptfileformats/scriptfileformats.h000066400000000000000000000024531474375334400276500ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SCRIPTFILEFORMATS_H #define AVOGADRO_QTPLUGINS_SCRIPTFILEFORMATS_H #include #include namespace Avogadro { namespace QtPlugins { /** * @brief This extension registers FileFormat reader/writers that are * implemented as external scripts. */ class ScriptFileFormats : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit ScriptFileFormats(QObject* parent = nullptr); ~ScriptFileFormats() override; QString name() const override { return tr("Script File Formats"); } QString description() const override { return tr("Load file reader/writers from external scripts."); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule* mol) override; private: QList m_formats; void refreshFileFormats(); void unregisterFileFormats(); void registerFileFormats(); }; } } #endif // AVOGADRO_QTPLUGINS_QUANTUMOUTPUT_H avogadrolibs-1.100.0/avogadro/qtplugins/select/000077500000000000000000000000001474375334400214525ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/select/CMakeLists.txt000066400000000000000000000001731474375334400242130ustar00rootroot00000000000000avogadro_plugin(Select "Extension that modifies selections." ExtensionPlugin select.h Select "select.cpp" "" ) avogadrolibs-1.100.0/avogadro/qtplugins/select/select.cpp000066400000000000000000000434721474375334400234470ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "select.h" #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::QtGui::Molecule; namespace Avogadro::QtPlugins { Select::Select(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_molecule(nullptr), m_elements(nullptr), m_layerManager("Select") { auto* action = new QAction(tr("Select All"), this); action->setShortcut(QKeySequence("Ctrl+A")); action->setProperty("menu priority", 990); connect(action, SIGNAL(triggered()), SLOT(selectAll())); m_actions.append(action); action = new QAction(tr("Select None"), this); action->setShortcut(QKeySequence("Ctrl+Shift+A")); action->setProperty("menu priority", 980); connect(action, SIGNAL(triggered()), SLOT(selectNone())); m_actions.append(action); action = new QAction(this); action->setSeparator(true); action->setProperty("menu priority", 970); m_actions.append(action); action = new QAction(tr("Invert Selection"), this); action->setProperty("menu priority", 890); connect(action, SIGNAL(triggered()), SLOT(invertSelection())); m_actions.append(action); action = new QAction(tr("Select by Element…"), this); action->setProperty("menu priority", 880); connect(action, SIGNAL(triggered()), SLOT(selectElement())); m_actions.append(action); action = new QAction(tr("Select by Atom Index…"), this); action->setProperty("menu priority", 870); connect(action, SIGNAL(triggered()), SLOT(selectAtomIndex())); m_actions.append(action); action = new QAction(tr("Select by Residue…"), this); action->setProperty("menu priority", 860); connect(action, SIGNAL(triggered()), SLOT(selectResidue())); m_actions.append(action); action = new QAction(tr("Select Backbone Atoms…"), this); action->setProperty("menu priority", 858); connect(action, SIGNAL(triggered()), SLOT(selectBackboneAtoms())); m_actions.append(action); action = new QAction(tr("Select Sidechain Atoms…"), this); action->setProperty("menu priority", 855); connect(action, SIGNAL(triggered()), SLOT(selectSidechainAtoms())); m_actions.append(action); action = new QAction(tr("Select Water"), this); action->setProperty("menu priority", 850); connect(action, SIGNAL(triggered()), SLOT(selectWater())); m_actions.append(action); action = new QAction(this); action->setProperty("menu priority", 840); action->setSeparator(true); m_actions.append(action); action = new QAction(tr("Enlarge Selection"), this); action->setProperty("menu priority", 790); connect(action, SIGNAL(triggered()), SLOT(enlargeSelection())); m_actions.append(action); action = new QAction(tr("Shrink Selection"), this); action->setProperty("menu priority", 780); connect(action, SIGNAL(triggered()), SLOT(shrinkSelection())); m_actions.append(action); action = new QAction(this); action->setProperty("menu priority", 700); action->setSeparator(true); m_actions.append(action); action = new QAction(tr("Create New Layer from Selection"), this); action->setProperty("menu priority", 300); connect(action, SIGNAL(triggered()), SLOT(createLayerFromSelection())); m_actions.append(action); } Select::~Select() { if (m_elements) m_elements->deleteLater(); } QString Select::description() const { return tr("Change selections"); } QList Select::actions() const { return m_actions; } QStringList Select::menuPath(QAction*) const { return QStringList() << tr("&Select"); } void Select::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } bool Select::evalSelect(bool input, Index index) const { return !m_layerManager.atomLocked(index) && input; } void Select::selectAll() { if (m_molecule && m_molecule->atomCount() > 0) { for (Index i = 0; i < m_molecule->atomCount(); ++i) { m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i)); } m_molecule->emitChanged(Molecule::Atoms); } } void Select::selectNone() { if (m_molecule && m_molecule->atomCount() > 0) { for (Index i = 0; i < m_molecule->atomCount(); ++i) m_molecule->undoMolecule()->setAtomSelected(i, false); m_molecule->emitChanged(Molecule::Atoms); } } void Select::selectElement() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; if (m_elements == nullptr) { m_elements = new QtGui::PeriodicTableView(qobject_cast(parent())); connect(m_elements, SIGNAL(elementChanged(int)), this, SLOT(selectElement(int))); } m_elements->show(); } void Select::selectElement(int element) { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; QString undoText = tr("Select Element"); for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (m_molecule->atomicNumber(i) == element) { m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); } else m_molecule->undoMolecule()->setAtomSelected(i, false, undoText); } m_molecule->emitChanged(Molecule::Atoms); } bool Select::isWaterOxygen(Index i) { if (m_molecule->atomicNumber(i) != 8) return false; // check to see if it has two bonds auto bonds = m_molecule->bonds(i); if (bonds.size() != 2) return false; // check to see that both bonds are to hydrogens for (auto& bond : bonds) { if (m_molecule->atomicNumber(bond.getOtherAtom(i).index()) != 1) return false; } return true; } void Select::selectWater() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; QString undoText = tr("Select Water"); for (Index i = 0; i < m_molecule->atomCount(); ++i) { auto atomicNumber = m_molecule->atomicNumber(i); if (atomicNumber == 8 && isWaterOxygen(i)) { m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i)); continue; } else if (atomicNumber == 1) { // check if it's attached to a water oxygen auto bonds = m_molecule->bonds(i); bool isWater = false; // check the bonds for a water oxygen for (auto& bond : bonds) { if (isWaterOxygen(bond.getOtherAtom(i).index())) { m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); isWater = true; break; } } if (!isWater) m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(false, i), undoText); continue; } m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(false, i), undoText); } // also select water residues (which may be isolated "O" atoms) for (const auto& residue : m_molecule->residues()) { if (residue.residueName() == "HOH") { for (auto atom : residue.residueAtoms()) { Index i = atom.index(); m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); } } } m_molecule->emitChanged(Molecule::Atoms); } void Select::selectBackboneAtoms() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; // unselect everything selectNone(); QString undoText = tr("Select Backbone"); for (const auto& residue : m_molecule->residues()) { for (auto atom : residue.residueAtoms()) { auto name = residue.getAtomName(atom); if (name == "CA" || name == "C" || name == "N" || name == "O") { Index i = atom.index(); m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); } // also select hydrogens connected to the backbone atoms if (atom.atomicNumber() == 1) { auto bonds = m_molecule->bonds(atom.index()); if (bonds.size() == 1) { auto otherAtom = bonds[0].getOtherAtom(atom.index()); auto otherName = residue.getAtomName(otherAtom); if (otherName == "CA" || otherName == "C" || otherName == "N" || otherName == "O") { Index i = atom.index(); m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); } } } } } m_molecule->emitChanged(Molecule::Atoms); } void Select::selectSidechainAtoms() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; // unselect everything selectNone(); QString undoText = tr("Select Sidechain"); for (const auto& residue : m_molecule->residues()) { for (auto atom : residue.residueAtoms()) { auto name = residue.getAtomName(atom); if (name != "CA" && name != "C" && name != "N" && name != "O") { Index i = atom.index(); m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); } // or is it a hydrogen connected to a backbone atom? // (then we don't want to select it) if (atom.atomicNumber() == 1) { auto bonds = m_molecule->bonds(atom.index()); if (bonds.size() == 1) { auto otherAtom = bonds[0].getOtherAtom(atom.index()); auto otherName = residue.getAtomName(otherAtom); if (otherName == "CA" || otherName == "C" || otherName == "N" || otherName == "O") { Index i = atom.index(); m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(false, i), undoText); } } } } } m_molecule->emitChanged(Molecule::Atoms); } Vector3 Select::getSelectionCenter() { Vector3 center(0, 0, 0); int count = 0; for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (m_molecule->atomSelected(i)) { center += m_molecule->atomPosition3d(i); ++count; } } if (count > 0) center /= count; return center; } void Select::enlargeSelection() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; Vector3 center = getSelectionCenter(); // find the current max distance of the selection Real maxDistance = 0.0; for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (m_molecule->atomSelected(i)) { // we'll use the squaredNorm to save a bunch of square roots Vector3 displacement = m_molecule->atomPosition3d(i) - center; Real distance = displacement.squaredNorm(); if (distance > maxDistance) maxDistance = distance; } } maxDistance = sqrt(maxDistance) + 2.5; maxDistance *= maxDistance; // square to compare with .squaredNorm() values QString undoText = tr("Enlarge Selection"); // now select all atoms within the NEW max distance for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (!m_molecule->atomSelected(i)) { Vector3 displacement = m_molecule->atomPosition3d(i) - center; Real distance = displacement.squaredNorm(); if (distance < maxDistance) { m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); } } } m_molecule->emitChanged(Molecule::Atoms); } void Select::shrinkSelection() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; Vector3 center = getSelectionCenter(); // find the current max distance of the selection Real maxDistance = 0.0; for (Index i = 0; i < m_molecule->atomCount(); ++i) { if (m_molecule->atomSelected(i)) { // we'll use the squaredNorm to save a bunch of square roots Vector3 displacement = m_molecule->atomPosition3d(i) - center; Real distance = displacement.squaredNorm(); if (distance > maxDistance) maxDistance = distance; } } maxDistance = sqrt(maxDistance) - 2.5; if (maxDistance < 0.0) maxDistance = 0.0; maxDistance *= maxDistance; // square to compare with .squaredNorm() values QString undoText = tr("Shrink Selection"); // now select ONLY atoms within the NEW max distance for (Index i = 0; i < m_molecule->atomCount(); ++i) { Vector3 displacement = m_molecule->atomPosition3d(i) - center; Real distance = displacement.squaredNorm(); if (distance < maxDistance) m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); else m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(false, i), undoText); } m_molecule->emitChanged(Molecule::Atoms); } void Select::selectAtomIndex() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; bool ok; QString text = QInputDialog::getText( qobject_cast(parent()), tr("Select Atoms by Index"), tr("Atoms to Select:"), QLineEdit::Normal, QString(), &ok); if (!ok || text.isEmpty()) return; QString undoText = tr("Select Atom"); auto list = text.simplified().split(','); foreach (const QString item, list) { // check if it's a range if (item.contains('-')) { auto range = item.split('-'); if (range.size() == 2) { bool ok1, ok2; int k = m_molecule->atomCount(); int start = range.first().toInt(&ok1); int last = range.back().toInt(&ok2); if (ok1 && ok2) { if (start < k) for (int i = start; i <= last; ++i) m_molecule->undoMolecule()->setAtomSelected( i, evalSelect(true, i), undoText); } } } else { int i = item.toInt(&ok); int k = m_molecule->atomCount(); if (ok) if (i < k) m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); } } m_molecule->emitChanged(Molecule::Atoms); } void Select::selectResidue() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; bool ok; QString text = QInputDialog::getText( qobject_cast(parent()), tr("Select Atoms by Residue"), tr("Residues to Select:"), QLineEdit::Normal, QString(), &ok); if (!ok || text.isEmpty()) return; QString undoText = tr("Select Residue"); auto list = text.simplified().split(','); foreach (const QString item, list) { const QString label = item.simplified(); // get rid of whitespace // check if it's a number - select that residue index int index = label.toInt(&ok); if (ok) { auto residueList = m_molecule->residues(); if (index >= 1 && index < static_cast(residueList.size())) { auto residue = residueList[index]; for (auto& atom : residue.residueAtoms()) { Index i = atom.index(); m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); } } // index makes sense continue; } // okay it's not just a number, so see if it's HIS57, etc. QRegularExpression re("([a-zA-Z]+)([0-9]+)"); QRegularExpressionMatch match = re.match(label); if (match.hasMatch()) { QString name = match.captured(1); index = match.captured(2).toInt(); auto residueList = m_molecule->residues(); if (index >= 1 && index < static_cast(residueList.size())) { auto residue = residueList[index]; if (name == residue.residueName().c_str()) { for (auto atom : residue.residueAtoms()) { Index i = atom.index(); m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); } } // check if name matches specified (e.g. HIS57 is really a HIS) } // index makes sense } else { // standard residue name for (const auto& residue : m_molecule->residues()) { if (label == residue.residueName().c_str()) { // select the atoms of the residue for (auto atom : residue.residueAtoms()) { Index i = atom.index(); m_molecule->undoMolecule()->setAtomSelected(i, evalSelect(true, i), undoText); } } // residue matches label } // for(residues) continue; } // 3-character labels } m_molecule->emitChanged(Molecule::Atoms); } void Select::invertSelection() { if (m_molecule && m_molecule->atomCount() > 0) { for (Index i = 0; i < m_molecule->atomCount(); ++i) m_molecule->undoMolecule()->setAtomSelected( i, evalSelect(!m_molecule->atomSelected(i), i), tr("Invert Selection")); m_molecule->emitChanged(Molecule::Atoms); } } void Select::createLayerFromSelection() { if (m_molecule == nullptr || m_molecule->atomCount() == 0) return; QtGui::RWMolecule* rwmol = m_molecule->undoMolecule(); rwmol->beginMergeMode(tr("Change Layer")); Molecule::MoleculeChanges changes = Molecule::Atoms | Molecule::Layers | Molecule::Modified; auto& layerInfo = Core::LayerManager::getMoleculeInfo(m_molecule)->layer; QtGui::RWLayerManager rwLayerManager; rwLayerManager.addLayer(rwmol); int layer = layerInfo.maxLayer(); for (Index i = 0; i < rwmol->atomCount(); ++i) { auto a = rwmol->atom(i); if (a.selected()) { a.setLayer(layer); } } rwmol->endMergeMode(); rwmol->emitChanged(changes); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/select/select.h000066400000000000000000000033671474375334400231130ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SELECT_H #define AVOGADRO_QTPLUGINS_SELECT_H #include #include #include namespace Avogadro { namespace QtGui { class PeriodicTableView; } namespace QtPlugins { /** * @brief The Select class is an extension to modify selections */ class Select : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit Select(QObject* parent_ = nullptr); ~Select() override; QString name() const override { return tr("Select"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; private slots: void selectAll(); void selectNone(); void invertSelection(); void selectElement(); void selectAtomIndex(); void selectElement(int element); void selectResidue(); void selectBackboneAtoms(); void selectSidechainAtoms(); void selectWater(); bool isWaterOxygen(Index i); void enlargeSelection(); void shrinkSelection(); Vector3 getSelectionCenter(); void createLayerFromSelection(); private: QList m_actions; QtGui::Molecule* m_molecule; QtGui::PeriodicTableView* m_elements; QtGui::PluginLayerManager m_layerManager; bool evalSelect(bool input, Index index) const; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_SELECT_H avogadrolibs-1.100.0/avogadro/qtplugins/selectiontool/000077500000000000000000000000001474375334400230565ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/selectiontool/CMakeLists.txt000066400000000000000000000005251474375334400256200ustar00rootroot00000000000000set(tool_srcs selectiontool.cpp selectiontoolwidget.cpp ) set(tool_uis selectiontoolwidget.ui ) set(tool_rcs selectiontool.qrc) avogadro_plugin(Selection "Selection tool" ToolPlugin selectiontool.h SelectionTool "${tool_srcs}" "${tool_uis}" "${tool_rcs}" ) target_link_libraries(Selection PRIVATE Avogadro::QtOpenGL) avogadrolibs-1.100.0/avogadro/qtplugins/selectiontool/selection_dark.svg000066400000000000000000000034551474375334400265740ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/selectiontool/selection_light.svg000066400000000000000000000034551474375334400267620ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/selectiontool/selectiontool.cpp000066400000000000000000000256071474375334400264570ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "selectiontool.h" #include "selectiontoolwidget.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::Core::Array; using Avogadro::Core::Atom; using Avogadro::QtGui::Molecule; using Avogadro::QtGui::RWMolecule; using Avogadro::Rendering::GeometryNode; using Avogadro::Rendering::GroupNode; using Avogadro::Rendering::Identifier; using Avogadro::Rendering::MeshGeometry; namespace Avogadro::QtPlugins { SelectionTool::SelectionTool(QObject* parent_) : QtGui::ToolPlugin(parent_), m_activateAction(new QAction(this)), m_molecule(nullptr), m_renderer(nullptr), m_toolWidget(nullptr), m_drawSelectionBox(false), m_doubleClick(false), m_initSelectionBox(false), m_layerManager("Selection Tool") { QString shortcut = tr("Ctrl+5", "control-key 5"); m_activateAction->setText(tr("Selection")); m_activateAction->setToolTip( tr("Selection Tool \t(%1)\n\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment.").arg(shortcut)); setIcon(); } SelectionTool::~SelectionTool() {} void SelectionTool::setIcon(bool darkTheme) { if (darkTheme) m_activateAction->setIcon(QIcon(":/icons/selection_dark.svg")); else m_activateAction->setIcon(QIcon(":/icons/selection_light.svg")); } QWidget* SelectionTool::toolWidget() const { if (m_toolWidget == nullptr) { m_toolWidget = new SelectionToolWidget(qobject_cast(parent())); connect(m_toolWidget, SIGNAL(colorApplied(Vector3ub)), this, SLOT(applyColor(Vector3ub))); connect(m_toolWidget, SIGNAL(changeLayer(int)), this, SLOT(applyLayer(int))); } return m_toolWidget; } QUndoCommand* SelectionTool::mousePressEvent(QMouseEvent* e) { if (e->button() != Qt::LeftButton || !m_renderer) { m_initSelectionBox = false; return nullptr; } m_drawSelectionBox = false; m_initSelectionBox = true; m_start = Vector2(e->pos().x(), e->pos().y()); m_end = m_start; e->accept(); return nullptr; } QUndoCommand* SelectionTool::mouseReleaseEvent(QMouseEvent* e) { // If the click is released on an atom, add it to the list if (e->button() != Qt::LeftButton || !m_renderer || m_doubleClick) { m_doubleClick = false; return nullptr; } // Assess whether the selection box is big enough to use, or a mis-click. m_end = Vector2(e->pos().x(), e->pos().y()); Vector2f start(m_start.x() < m_end.x() ? m_start.x() : m_end.x(), m_start.y() < m_end.y() ? m_start.y() : m_end.y()); Vector2f end(m_start.x() > m_end.x() ? m_start.x() : m_end.x(), m_start.y() > m_end.y() ? m_start.y() : m_end.y()); bool bigEnough = fabs(start.x() - end.x()) > 2 && fabs(start.y() - end.y()) > 2; bool anySelect = false; Index selectedIndex = MaxIndex; if (m_drawSelectionBox && bigEnough) { shouldClean(e); m_initSelectionBox = false; auto hits = m_renderer->hits(start.x(), start.y(), end.x(), end.y()); for (const auto& hit : hits) { if (hit.type == Rendering::AtomType) { anySelect = selectAtom(e, hit.index) || anySelect; selectedIndex = hit.index; } } } else { // Single click m_start = Vector2(e->pos().x(), e->pos().y()); m_end = m_start; Identifier hit = m_renderer->hit(e->pos().x(), e->pos().y()); // Now add the atom on release. if (hit.type == Rendering::AtomType) { // store the result in case it's a toggle bool selected = selectAtom(e, hit.index); shouldClean(e); if (selected) { anySelect = addAtom(hit.index); selectedIndex = hit.index; } else { anySelect = removeAtom(hit.index); selectedIndex = hit.index; } } } if (anySelect && m_toolWidget != nullptr) { m_toolWidget->setDropDown(m_layerManager.getLayerID(selectedIndex), m_layerManager.layerCount()); } m_drawSelectionBox = false; // Disable this code until rectangle selection is ready. emit drawablesChanged(); e->accept(); return nullptr; } QUndoCommand* SelectionTool::mouseDoubleClickEvent(QMouseEvent* e) { if (e->button() == Qt::LeftButton) { m_doubleClick = true; m_initSelectionBox = false; Vector2 select = Vector2(e->pos().x(), e->pos().y()); Identifier hit = m_renderer->hit(select.x(), select.y()); // Reset the atom list if (!hit.isValid()) { clearAtoms(); } else { shouldClean(e); m_drawSelectionBox = false; // resync the select from simple click only on control if (e->modifiers() & Qt::ControlModifier) { toggleAtom(hit.index); } selectLinkedMolecule(e, hit.index); emit drawablesChanged(); e->accept(); } } return nullptr; } // namespace QtPlugins QUndoCommand* SelectionTool::mouseMoveEvent(QMouseEvent* e) { // Disable this code until rectangle selection is ready. if (m_initSelectionBox) { m_drawSelectionBox = true; m_end = Vector2(e->pos().x(), e->pos().y()); emit drawablesChanged(); e->accept(); } return nullptr; } QUndoCommand* SelectionTool::keyPressEvent(QKeyEvent*) { return nullptr; } void SelectionTool::draw(Rendering::GroupNode& node) { if (!m_drawSelectionBox || !m_initSelectionBox) { node.clear(); return; } auto* geo = new GeometryNode; node.addChild(geo); auto* mesh = new MeshGeometry; mesh->setRenderPass(Rendering::Overlay2DPass); Array verts(4); Vector3f start(m_start.x() < m_end.x() ? m_start.x() : m_end.x(), m_start.y() < m_end.y() ? m_start.y() : m_end.y(), 0.0f); Vector3f end(m_start.x() > m_end.x() ? m_start.x() : m_end.x(), m_start.y() > m_end.y() ? m_start.y() : m_end.y(), 0.0f); start.y() = m_renderer->overlayCamera().height() - start.y(); end.y() = m_renderer->overlayCamera().height() - end.y(); verts[0] = Vector3f(start.x(), end.y(), 0.0f); verts[1] = Vector3f(end.x(), end.y(), 0.0f); verts[2] = Vector3f(start.x(), start.y(), 0.0f); verts[3] = Vector3f(end.x(), start.y(), 0.0f); const Vector3f normal = verts[0].cross(verts[1]).normalized(); Array norms(4, normal); Array indices(6); indices[0] = 0; indices[1] = 1; indices[2] = 2; indices[3] = 2; indices[4] = 1; indices[5] = 3; mesh->setColor(Vector3ub(200, 200, 0)); mesh->setOpacity(180); mesh->addVertices(verts, norms); mesh->addTriangles(indices); geo->addDrawable(mesh); } void SelectionTool::applyColor(Vector3ub color) { RWMolecule* rwmol = m_molecule->undoMolecule(); rwmol->beginMergeMode(tr("Paint Atoms")); for (Index i = 0; i < rwmol->atomCount(); ++i) { auto a = rwmol->atom(i); if (a.selected()) a.setColor(color); } rwmol->endMergeMode(); rwmol->emitChanged(Molecule::Atoms | Molecule::Modified); } void SelectionTool::applyLayer(int layer) { if (layer <= 0 || m_molecule == nullptr) { return; } RWMolecule* rwmol = m_molecule->undoMolecule(); rwmol->beginMergeMode(tr("Change Layer")); Molecule::MoleculeChanges changes = Molecule::Atoms | Molecule::Modified; // qDebug() << "SelectionTool::applyLayer" << layer << " layerCount " << // m_layerManager.layerCount(); if (layer >= static_cast(m_layerManager.layerCount())) { // add a new layer auto& layerInfo = Core::LayerManager::getMoleculeInfo(m_molecule)->layer; QtGui::RWLayerManager rwLayerManager; rwLayerManager.addLayer(rwmol); layer = layerInfo.maxLayer(); // update the menu too if (m_toolWidget != nullptr) m_toolWidget->setDropDown(layer, m_layerManager.layerCount()); changes |= Molecule::Layers | Molecule::Added; } for (Index i = 0; i < rwmol->atomCount(); ++i) { auto a = rwmol->atom(i); if (a.selected()) { a.setLayer(layer); } } rwmol->endMergeMode(); rwmol->emitChanged(changes); } void SelectionTool::selectLinkedMolecule(QMouseEvent* e, Index atom) { auto connectedAtoms = m_molecule->graph().connectedComponent(atom); for (auto a : connectedAtoms) { selectAtom(e, a); } } void SelectionTool::clearAtoms() { for (Index i = 0; i < m_molecule->atomCount(); ++i) m_molecule->undoMolecule()->setAtomSelected(i, false); } bool SelectionTool::addAtom(const Index& atom) { m_molecule->undoMolecule()->setAtomSelected(atom, true); return true; } bool SelectionTool::removeAtom(const Index& atom) { m_molecule->undoMolecule()->setAtomSelected(atom, false); return true; } bool SelectionTool::toggleAtom(const Index& atom) { Atom a = m_molecule->atom(atom); m_molecule->undoMolecule()->setAtomSelected(atom, !a.selected()); return a.selected(); } bool SelectionTool::shouldClean(QMouseEvent* e) { // accumulate the selection if shift or ctrl are presset if (!(e->modifiers() & Qt::ControlModifier) && !(e->modifiers() & Qt::ShiftModifier)) { clearAtoms(); return true; } return false; } bool SelectionTool::selectAtom(QMouseEvent* e, const Index& index) { if (m_layerManager.atomLocked(index)) { return false; } // control toggles the selection if (e->modifiers() & Qt::ControlModifier) { return toggleAtom(index); } // shift and default selection adds else if (e->modifiers() & Qt::ShiftModifier || m_drawSelectionBox) { return addAtom(index); } // default toggle else { return toggleAtom(index); } } void SelectionTool::setMolecule(QtGui::Molecule* mol) { if (m_molecule != mol) { m_molecule = mol; } size_t currentLayer = 0; size_t maxLayers = 1; if (m_molecule && !m_molecule->isSelectionEmpty()) { // find a selected atom Index selectedIndex = 0; for (Index i = 0; i < m_molecule->atomCount(); ++i) { auto a = m_molecule->atom(i); if (a.selected()) selectedIndex = i; break; } currentLayer = m_layerManager.getLayerID(selectedIndex); maxLayers = m_layerManager.layerCount(); } if (m_toolWidget != nullptr) m_toolWidget->setDropDown(currentLayer, maxLayers); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/selectiontool/selectiontool.h000066400000000000000000000050541474375334400261160ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SelectionTool_H #define AVOGADRO_QTPLUGINS_SelectionTool_H #include #include #include #include #include #include namespace Avogadro { namespace QtPlugins { class SelectionToolWidget; /** * @brief SelectionTool selects atoms and bonds from the screen. */ class SelectionTool : public QtGui::ToolPlugin { Q_OBJECT public: explicit SelectionTool(QObject* parent_ = nullptr); ~SelectionTool() override; QString name() const override { return tr("Selection tool"); } QString description() const override { return tr("Selection tool"); } unsigned char priority() const override { return 25; } QAction* activateAction() const override { return m_activateAction; } QWidget* toolWidget() const override; void setIcon(bool darkTheme = false) override; void setMolecule(QtGui::Molecule*) override; void setGLRenderer(Rendering::GLRenderer* renderer) override; QUndoCommand* mousePressEvent(QMouseEvent* e) override; QUndoCommand* mouseReleaseEvent(QMouseEvent* e) override; QUndoCommand* mouseDoubleClickEvent(QMouseEvent* e) override; QUndoCommand* mouseMoveEvent(QMouseEvent* e) override; QUndoCommand* keyPressEvent(QKeyEvent* e) override; void draw(Rendering::GroupNode& node) override; private slots: void applyColor(Vector3ub color); void applyLayer(int layer); private: void clearAtoms(); bool selectAtom(QMouseEvent* e, const Index& atom); bool addAtom(const Index& atom); bool removeAtom(const Index& atom); bool toggleAtom(const Index& atom); bool shouldClean(QMouseEvent* e); void selectLinkedMolecule(QMouseEvent* e, Index atom); QAction* m_activateAction; QtGui::Molecule* m_molecule; Rendering::GLRenderer* m_renderer; mutable SelectionToolWidget* m_toolWidget; bool m_drawSelectionBox; bool m_doubleClick; bool m_initSelectionBox; Vector2 m_start; Vector2 m_end; QtGui::PluginLayerManager m_layerManager; }; inline void SelectionTool::setGLRenderer(Rendering::GLRenderer* renderer) { m_renderer = renderer; } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_SelectionTool_H avogadrolibs-1.100.0/avogadro/qtplugins/selectiontool/selectiontool.qrc000066400000000000000000000002171474375334400264500ustar00rootroot00000000000000 selection_light.svg selection_dark.svg avogadrolibs-1.100.0/avogadro/qtplugins/selectiontool/selectiontoolwidget.cpp000066400000000000000000000040121474375334400276460ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "selectiontoolwidget.h" #include "ui_selectiontoolwidget.h" #include namespace Avogadro::QtPlugins { SelectionToolWidget::SelectionToolWidget(QWidget* parent) : QWidget(parent), m_ui(new Ui::SelectionToolWidget) { m_ui->setupUi(this); setDropDown(0, 1); connect(m_ui->applyColorButton, SIGNAL(clicked()), this, SLOT(userClickedColor())); } SelectionToolWidget::~SelectionToolWidget() { delete m_ui; } void SelectionToolWidget::setDropDown(size_t current, size_t max) { // disconnect the signal so we don't send it accidentally disconnect(m_ui->changeLayerDropDown, nullptr, nullptr, nullptr); m_ui->changeLayerDropDown->clear(); for (size_t i = 0; i < max; ++i) { m_ui->changeLayerDropDown->addItem(QString::number(i + 1)); } m_ui->changeLayerDropDown->addItem(tr("New Layer")); if (current != m_ui->changeLayerDropDown->currentIndex()) m_ui->changeLayerDropDown->setCurrentIndex(current); // reconnect the signal connect(m_ui->changeLayerDropDown, SIGNAL(currentIndexChanged(int)), this, SIGNAL(changeLayer(int))); } void SelectionToolWidget::userClickedColor() { QColorDialog dlg(this); QPalette pal = m_ui->applyColorButton->palette(); dlg.setCurrentColor(pal.color(QPalette::Button)); if (dlg.exec()) { QColor new_color = dlg.currentColor(); pal.setColor(QPalette::Button, new_color); m_ui->applyColorButton->setPalette(pal); m_ui->applyColorButton->update(); Vector3ub color; color[0] = static_cast(new_color.red()); color[1] = static_cast(new_color.green()); color[2] = static_cast(new_color.blue()); emit colorApplied(color); } } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/selectiontool/selectiontoolwidget.h000066400000000000000000000017671474375334400273310ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SELECTIONTOOLWIDGET_H #define AVOGADRO_QTPLUGINS_SELECTIONTOOLWIDGET_H #include #include namespace Avogadro { namespace QtPlugins { namespace Ui { class SelectionToolWidget; } class SelectionToolWidget : public QWidget { Q_OBJECT public: explicit SelectionToolWidget(QWidget* parent = nullptr); ~SelectionToolWidget(); void setDropDown(size_t current, size_t max); signals: void colorApplied(Vector3ub color); void changeLayer(int layer); private slots: void userClickedColor(); private: Ui::SelectionToolWidget* m_ui; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_SELECTIONTOOLWIDGET_H avogadrolibs-1.100.0/avogadro/qtplugins/selectiontool/selectiontoolwidget.ui000066400000000000000000000023741474375334400275120ustar00rootroot00000000000000 Avogadro::QtPlugins::SelectionToolWidget 0 0 400 300 Form Apply Color true Change Layer avogadrolibs-1.100.0/avogadro/qtplugins/spacegroup/000077500000000000000000000000001474375334400223435ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/spacegroup/CMakeLists.txt000066400000000000000000000003371474375334400251060ustar00rootroot00000000000000set(spacegroup_srcs spacegroup.cpp ) set(spacegroup_uis ) avogadro_plugin(SpaceGroup "Space group features for crystals." ExtensionPlugin spacegroup.h SpaceGroup "${spacegroup_srcs}" "${spacegroup_uis}" ) avogadrolibs-1.100.0/avogadro/qtplugins/spacegroup/spacegroup.cpp000066400000000000000000000336201474375334400252230ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "spacegroup.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::Core::AvoSpglib; using Avogadro::QtGui::Molecule; namespace Avogadro::QtPlugins { SpaceGroup::SpaceGroup(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_actions(QList()), m_molecule(nullptr), m_spgTol(1e-5), m_perceiveSpaceGroupAction(new QAction(this)), m_reduceToPrimitiveAction(new QAction(this)), m_conventionalizeCellAction(new QAction(this)), m_symmetrizeAction(new QAction(this)), m_fillUnitCellAction(new QAction(this)), m_reduceToAsymmetricUnitAction(new QAction(this)), m_setToleranceAction(new QAction(this)) { m_perceiveSpaceGroupAction->setText(tr("Perceive Space Group…")); connect(m_perceiveSpaceGroupAction, SIGNAL(triggered()), SLOT(perceiveSpaceGroup())); m_actions.push_back(m_perceiveSpaceGroupAction); m_perceiveSpaceGroupAction->setProperty("menu priority", 90); m_reduceToPrimitiveAction->setText(tr("Reduce to Primitive")); connect(m_reduceToPrimitiveAction, SIGNAL(triggered()), SLOT(reduceToPrimitive())); m_actions.push_back(m_reduceToPrimitiveAction); m_reduceToPrimitiveAction->setProperty("menu priority", 80); m_conventionalizeCellAction->setText(tr("Conventionalize Cell")); connect(m_conventionalizeCellAction, SIGNAL(triggered()), SLOT(conventionalizeCell())); m_actions.push_back(m_conventionalizeCellAction); m_conventionalizeCellAction->setProperty("menu priority", 70); m_symmetrizeAction->setText(tr("Symmetrize")); connect(m_symmetrizeAction, SIGNAL(triggered()), SLOT(symmetrize())); m_actions.push_back(m_symmetrizeAction); m_symmetrizeAction->setProperty("menu priority", 60); m_fillUnitCellAction->setText(tr("Fill Unit Cell…")); connect(m_fillUnitCellAction, SIGNAL(triggered()), SLOT(fillUnitCell())); m_actions.push_back(m_fillUnitCellAction); // should fall next to the "Wrap Atoms to Unit Cell" action m_fillUnitCellAction->setProperty("menu priority", 185); m_reduceToAsymmetricUnitAction->setText(tr("Reduce to Asymmetric Unit")); connect(m_reduceToAsymmetricUnitAction, SIGNAL(triggered()), SLOT(reduceToAsymmetricUnit())); m_actions.push_back(m_reduceToAsymmetricUnitAction); m_reduceToAsymmetricUnitAction->setProperty("menu priority", 40); m_setToleranceAction->setText(tr("Set Tolerance…")); connect(m_setToleranceAction, SIGNAL(triggered()), SLOT(setTolerance())); m_actions.push_back(m_setToleranceAction); m_setToleranceAction->setProperty("menu priority", 0); updateActions(); } SpaceGroup::~SpaceGroup() { qDeleteAll(m_actions); m_actions.clear(); } QList SpaceGroup::actions() const { return m_actions; } QStringList SpaceGroup::menuPath(QAction* action) const { if (action == m_fillUnitCellAction) return QStringList() << tr("&Crystal"); return QStringList() << tr("&Crystal") << tr("Space Group"); } void SpaceGroup::registerCommands() { emit registerCommand( "fillUnitCell", tr("Fill symmetric atoms based on the crystal space group.")); } bool SpaceGroup::handleCommand(const QString& command, const QVariantMap& options) { if (m_molecule == nullptr) return false; // No molecule to handle the command. if (command == "fillUnitCell") { fillUnitCell(); return true; } return false; } void SpaceGroup::setMolecule(QtGui::Molecule* mol) { if (m_molecule == mol) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; if (m_molecule) connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint))); updateActions(); } void SpaceGroup::moleculeChanged(unsigned int c) { Q_ASSERT(m_molecule == qobject_cast(sender())); auto changes = static_cast(c); if (changes & Molecule::UnitCell) { if (changes & Molecule::Added || changes & Molecule::Removed) updateActions(); } } void SpaceGroup::updateActions() { // Disable everything for nullptr molecules. if (!m_molecule) { foreach (QAction* action, m_actions) action->setEnabled(false); return; } if (m_molecule->unitCell()) { foreach (QAction* action, m_actions) action->setEnabled(true); } else { foreach (QAction* action, m_actions) action->setEnabled(false); } } void SpaceGroup::perceiveSpaceGroup() { // only do this if we don't have a Hall number set if (m_molecule == nullptr) return; if (m_molecule->hallNumber() != 0) { // Ask if the user wants to overwrite the current space group std::string hallSymbol = Core::SpaceGroups::hallSymbol(m_molecule->hallNumber()); QMessageBox::StandardButton reply; reply = QMessageBox::question(nullptr, tr("Perceive Space Group"), tr("The space group is already set to: %1.\n" "Would you like to overwrite it?") .arg(hallSymbol.c_str()), QMessageBox::Yes | QMessageBox::No); if (reply == QMessageBox::No) return; } unsigned short hallNumber = AvoSpglib::getHallNumber(*m_molecule, m_spgTol); unsigned short intNum = Core::SpaceGroups::internationalNumber(hallNumber); std::string hallSymbol = Core::SpaceGroups::hallSymbol(hallNumber); std::string intShort = Core::SpaceGroups::internationalShort(hallNumber); // Success! if (hallNumber != 0) { // Let's make the message std::stringstream ss; ss << "Tolerance: " << m_spgTol << " Å" << "\nSpace Group: " << intNum << "\nHall symbol: " << hallSymbol << "\nInternational symbol: " << intShort; // Now let's make the Message Box QMessageBox retMsgBox; retMsgBox.setText(tr(ss.str().c_str())); retMsgBox.exec(); } // Failure else { // Ask if the user wants to try again with a different tolerance QMessageBox::StandardButton reply; reply = QMessageBox::question(nullptr, tr("Failure"), tr("Space group perception failed.\n" "Would you like to try again with a " "different tolerance?"), QMessageBox::Yes | QMessageBox::No); if (reply == QMessageBox::Yes) { setTolerance(); perceiveSpaceGroup(); // Recursion! } } } void SpaceGroup::reduceToPrimitive() { // Confirm the tolerance QMessageBox::StandardButton reply; reply = QMessageBox::question(nullptr, tr("Primitive Reduction"), tr("The tolerance is currently set to: %1.\n" "Proceed with this tolerance?") .arg(m_spgTol), QMessageBox::Yes | QMessageBox::No); if (reply == QMessageBox::No) setTolerance(); // Primitive reduction! bool success = m_molecule->undoMolecule()->reduceCellToPrimitive(m_spgTol); if (!success) { // Print an error message. QMessageBox retMsgBox; retMsgBox.setText(tr("Primitive reduction failed.\n" "Please check your crystal and try again " "with a different tolerance.")); retMsgBox.exec(); } } void SpaceGroup::conventionalizeCell() { // Confirm the tolerance QMessageBox::StandardButton reply; reply = QMessageBox::question(nullptr, tr("Conventionalize Cell"), tr("The tolerance is currently set to: %1.\n" "Proceed with this tolerance?") .arg(m_spgTol), QMessageBox::Yes | QMessageBox::No); if (reply == QMessageBox::No) setTolerance(); // Conventionalize the cell! bool success = m_molecule->undoMolecule()->conventionalizeCell(m_spgTol); if (!success) { // Print an error message. QMessageBox retMsgBox; retMsgBox.setText(tr("Conventionalize cell failed.\n" "Please check your crystal and try again " "with a different tolerance.")); retMsgBox.exec(); } } void SpaceGroup::symmetrize() { // Confirm the tolerance QMessageBox::StandardButton reply; reply = QMessageBox::question(nullptr, tr("Symmetrize Cell"), tr("The tolerance is currently set to: %1.\n" "Proceed with this tolerance?") .arg(m_spgTol), QMessageBox::Yes | QMessageBox::No); if (reply == QMessageBox::No) setTolerance(); bool success = m_molecule->undoMolecule()->symmetrizeCell(m_spgTol); if (!success) { // Print an error message. QMessageBox retMsgBox; retMsgBox.setText(tr("Symmetrization failed.\n" "Please check your crystal and try again " "with a different tolerance.")); retMsgBox.exec(); } } void SpaceGroup::fillUnitCell() { unsigned short hallNumber = m_molecule->hallNumber(); // If it's not set, ask the user to select a space group if (hallNumber == 0) hallNumber = selectSpaceGroup(); // If the hall number is zero, the user canceled if (hallNumber == 0) return; m_molecule->undoMolecule()->fillUnitCell(hallNumber, m_spgTol); } void SpaceGroup::reduceToAsymmetricUnit() { // Let's gather some information about the space group first unsigned short hallNumber = AvoSpglib::getHallNumber(*m_molecule, m_spgTol); unsigned short intNum = Core::SpaceGroups::internationalNumber(hallNumber); std::string hallSymbol = Core::SpaceGroups::hallSymbol(hallNumber); std::string intShort = Core::SpaceGroups::internationalShort(hallNumber); // Ask the user if he/she wants to use this space group std::stringstream ss; ss << "With a tolerance of " << m_spgTol << " Å, " << "the space group information was perceived to be the following:" << "\nSpace Group: " << intNum << "\nHall symbol: " << hallSymbol << "\nInternational symbol: " << intShort << "\n\nProceed with this space group?"; QMessageBox::StandardButton reply; reply = QMessageBox::question(nullptr, tr("Reduce to Asymmetric Unit"), tr(ss.str().c_str()), QMessageBox::Yes | QMessageBox::No); // If the user does not want to use the perceived space group, // let the user set it. if (reply == QMessageBox::No) hallNumber = selectSpaceGroup(); // If 0 was set, that means the user cancelled if (hallNumber == 0) return; // Perform the operation! m_molecule->undoMolecule()->reduceCellToAsymmetricUnit(hallNumber, m_spgTol); } void SpaceGroup::setTolerance() { bool ok; double tol = QInputDialog::getDouble(nullptr, tr("Avogadro2"), // title tr("Select tolerance in Å:"), // label m_spgTol, // initial 1e-5, // min 0.5, // max 5, // decimals &ok); if (!ok) return; m_spgTol = tol; } unsigned short SpaceGroup::selectSpaceGroup() { QStandardItemModel spacegroups; QStringList modelHeader; modelHeader << tr("International") << tr("Hall") << tr("Hermann-Mauguin"); spacegroups.setHorizontalHeaderLabels(modelHeader); for (unsigned short i = 1; i <= 530; ++i) { QList row; row << new QStandardItem( QString::number(Core::SpaceGroups::internationalNumber(i))) << new QStandardItem(QString(Core::SpaceGroups::hallSymbol(i))) << new QStandardItem(QString(Core::SpaceGroups::internationalShort(i))); spacegroups.appendRow(row); } QDialog dialog; dialog.setLayout(new QVBoxLayout); dialog.setWindowTitle(tr("Select Space Group")); auto* view = new QTableView; view->setSelectionBehavior(QAbstractItemView::SelectRows); view->setSelectionMode(QAbstractItemView::SingleSelection); view->setCornerButtonEnabled(false); view->setVerticalScrollMode(QAbstractItemView::ScrollPerPixel); view->setHorizontalScrollBarPolicy(Qt::ScrollBarAlwaysOff); view->verticalHeader()->hide(); view->setModel(&spacegroups); dialog.layout()->addWidget(view); view->selectRow(0); view->resizeColumnsToContents(); view->resizeRowsToContents(); view->setMinimumWidth(view->horizontalHeader()->length() + view->verticalScrollBar()->sizeHint().width()); connect(view, SIGNAL(activated(QModelIndex)), &dialog, SLOT(accept())); auto* buttons = new QDialogButtonBox(QDialogButtonBox::Ok | QDialogButtonBox::Cancel); connect(buttons, SIGNAL(accepted()), &dialog, SLOT(accept())); connect(buttons, SIGNAL(rejected()), &dialog, SLOT(reject())); dialog.layout()->addWidget(buttons); if (dialog.exec() != QDialog::Accepted) return 0; // This should be hall number return view->currentIndex().row() + 1; } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/spacegroup/spacegroup.h000066400000000000000000000040501474375334400246630ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SPACEGROUP_H #define AVOGADRO_QTPLUGINS_SPACEGROUP_H #include namespace Avogadro { namespace QtPlugins { /** * @brief Space group features for crystals. */ class SpaceGroup : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit SpaceGroup(QObject* parent_ = nullptr); ~SpaceGroup(); QString name() const override { return tr("SpaceGroup"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; bool handleCommand(const QString& command, const QVariantMap& options) override; void registerCommands() override; public slots: void setMolecule(QtGui::Molecule* mol) override; void moleculeChanged(unsigned int changes); private slots: void updateActions(); void perceiveSpaceGroup(); void reduceToPrimitive(); void conventionalizeCell(); void symmetrize(); void fillUnitCell(); void reduceToAsymmetricUnit(); void setTolerance(); private: // Pop up a dialog box and ask the user to select a space group. // Returns the hall number for the selected space group. // Returns 0 if the user canceled. unsigned short selectSpaceGroup(); QList m_actions; QtGui::Molecule* m_molecule; double m_spgTol; QAction* m_perceiveSpaceGroupAction; QAction* m_reduceToPrimitiveAction; QAction* m_conventionalizeCellAction; QAction* m_symmetrizeAction; QAction* m_fillUnitCellAction; QAction* m_reduceToAsymmetricUnitAction; QAction* m_setToleranceAction; }; inline QString SpaceGroup::description() const { return tr("Space group features for crystals."); } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_SPACEGROUP_H avogadrolibs-1.100.0/avogadro/qtplugins/spectra/000077500000000000000000000000001474375334400216345ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/spectra/CMakeLists.txt000066400000000000000000000003471474375334400244000ustar00rootroot00000000000000set(plugin_srcs spectradialog.cpp spectra.cpp ) avogadro_plugin(Spectra "Spectra Plots" ExtensionPlugin spectra.h Spectra "${plugin_srcs}" "spectradialog.ui" ) target_link_libraries(Spectra PRIVATE Avogadro::Vtk) avogadrolibs-1.100.0/avogadro/qtplugins/spectra/spectra.cpp000066400000000000000000000076111474375334400240060ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "spectra.h" #include "spectradialog.h" #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { Spectra::Spectra(QObject* p) : ExtensionPlugin(p), m_molecule(nullptr), m_dialog(nullptr) { auto* action = new QAction(this); action->setEnabled(false); action->setText(tr("Plot Spectra…")); action->setProperty("menu priority", -900); connect(action, SIGNAL(triggered()), SLOT(openDialog())); m_actions.push_back(action); } QList Spectra::actions() const { return m_actions; } QStringList Spectra::menuPath(QAction*) const { QStringList path; path << tr("&Analysis"); return path; } void Spectra::setMolecule(QtGui::Molecule* mol) { if (m_molecule != nullptr) m_molecule->disconnect(this); // extract vibrational and other spectra m_molecule = mol; if (m_molecule == nullptr) { return; } bool enableAction = false; // check to see if it has IR or Raman data if (!m_molecule->vibrationFrequencies().empty()) enableAction = true; // check if there are other spectra if (!m_molecule->spectraTypes().empty()) enableAction = true; foreach (auto action, m_actions) action->setEnabled(enableAction); connect(m_molecule, SIGNAL(changed(unsigned int)), SLOT(moleculeChanged(unsigned int))); if (enableAction && m_dialog != nullptr) { gatherSpectra(); } } void Spectra::moleculeChanged(unsigned int changes) { if (m_molecule == nullptr) return; bool enableAction = false; // check to see if it has IR or Raman data if (!m_molecule->vibrationFrequencies().empty()) enableAction = true; // check if there are other spectra if (!m_molecule->spectraTypes().empty()) enableAction = true; foreach (auto action, m_actions) action->setEnabled(enableAction); if (enableAction && m_dialog != nullptr) { gatherSpectra(); } } void Spectra::openDialog() { if (m_molecule == nullptr) return; if (m_dialog == nullptr) { m_dialog = new SpectraDialog(qobject_cast(this->parent())); } gatherSpectra(); // update the elements auto elements = m_molecule->atomicNumbers(); std::vector atomicNumbers(elements.begin(), elements.end()); m_dialog->setElements(atomicNumbers); m_dialog->show(); } void Spectra::gatherSpectra() { if (m_molecule == nullptr || m_dialog == nullptr) return; std::map spectra; // copy any spectra from the molecule for (const auto& type : m_molecule->spectraTypes()) { spectra[type] = m_molecule->spectra(type); } // check to see if it has IR or Raman data if (!m_molecule->vibrationFrequencies().empty()) { const unsigned int n = m_molecule->vibrationFrequencies().size(); MatrixX ir(n, 2); // check max intensity for (unsigned int i = 0; i < n; ++i) { ir(i, 0) = m_molecule->vibrationFrequencies()[i]; ir(i, 1) = m_molecule->vibrationIRIntensities()[i]; } spectra["IR"] = ir; if (m_molecule->vibrationRamanIntensities().size() == m_molecule->vibrationFrequencies().size()) { MatrixX raman(n, 2); for (unsigned int i = 0; i < n; ++i) { raman(i, 0) = m_molecule->vibrationFrequencies()[i]; raman(i, 1) = m_molecule->vibrationRamanIntensities()[i]; } spectra["Raman"] = raman; } } m_dialog->setSpectra(spectra); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/spectra/spectra.h000066400000000000000000000025101474375334400234440ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SPECTRA_H #define AVOGADRO_QTPLUGINS_SPECTRA_H #include class QAction; class QDialog; namespace Avogadro { namespace VTK { class ChartDialog; } namespace QtPlugins { class SpectraDialog; /** * @brief The Spectra plugin handles vibrations and spectra. */ class Spectra : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit Spectra(QObject* parent = nullptr); ~Spectra() override = default; QString name() const override { return tr("Spectra"); } QString description() const override { return tr("Display spectra plots."); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule* mol) override; public slots: void openDialog(); void moleculeChanged(unsigned int changes); private: void gatherSpectra(); QList m_actions; QtGui::Molecule* m_molecule; SpectraDialog* m_dialog; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_Spectra_H avogadrolibs-1.100.0/avogadro/qtplugins/spectra/spectradialog.cpp000066400000000000000000000674241474375334400251760ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "spectradialog.h" #include "ui_spectradialog.h" #include #include #include #include #include #include #include using Avogadro::Core::Molecule; namespace Avogadro::QtPlugins { constexpr QColor black(0, 0, 0); constexpr QColor white(1, 1, 1); constexpr QColor red(1, 0, 0); constexpr QColor green(0, 1, 0); constexpr QColor blue(0, 0, 1); float scaleAndBlur(float x, float peak, float intensity, float scale = 1.0, float shift = 0.0, float fwhm = 0.0) { // return the intensity at point x, from a Gaussian centered at peak // with a width of fwhm, scaled by scale and shifted by shift float fwhm_to_sigma = 2.0 * sqrt(2.0 * log(2.0)); float sigma = fwhm / fwhm_to_sigma; // x is the absolute position, but we need to scale the peak position float scaled_peak = (peak - shift) / scale; float delta = x - scaled_peak; float exponent = -(delta * delta) / (2 * sigma * sigma); float gaussian = exp(exponent); return intensity * gaussian; } float closestTo(float x, float peak, float intensity, float scale = 1.0, float shift = 0.0, float xScale = 1.0) { // return peak intensity if x is closer to the peak than another point // scaled by scale and shifted by shift float scaled_peak = (peak - shift) / scale; float delta = x - scaled_peak; // xScale is the reciprocal of the space between points // (i.e., used to generate many points in the loop) float peak_to_peak = 1.0 / xScale; return (fabs(delta) < peak_to_peak / 2.0) ? intensity : 0.0; } std::vector fromMatrix(const MatrixX& matrix) { std::vector result; for (auto i = 0; i < matrix.rows(); ++i) result.push_back(matrix(i, 0)); return result; } SpectraDialog::SpectraDialog(QWidget* parent) : QDialog(parent), m_ui(new Ui::SpectraDialog) { m_ui->setupUi(this); // hide the units for now m_ui->unitsLabel->hide(); m_ui->unitsCombo->hide(); // only for NMR m_ui->elementCombo->hide(); m_ui->dataTable->horizontalHeader()->setSectionResizeMode( QHeaderView::Stretch); // Hide advanced options initially m_ui->tab_widget->hide(); m_ui->dataTable->hide(); m_ui->push_exportData->hide(); readSettings(); // connections for options connect(m_ui->push_options, SIGNAL(clicked()), this, SLOT(toggleOptions())); connect(m_ui->push_colorBackground, SIGNAL(clicked()), this, SLOT(changeBackgroundColor())); connect(m_ui->push_colorForeground, SIGNAL(clicked()), this, SLOT(changeForegroundColor())); connect(m_ui->push_colorCalculated, SIGNAL(clicked()), this, SLOT(changeCalculatedSpectraColor())); connect(m_ui->push_colorImported, SIGNAL(clicked()), this, SLOT(changeImportedSpectraColor())); connect(m_ui->fontSizeCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(changeFontSize())); connect(m_ui->lineWidthSpinBox, SIGNAL(valueChanged(double)), this, SLOT(changeLineWidth())); connectOptions(); } SpectraDialog::~SpectraDialog() { writeSettings(); } void SpectraDialog::connectOptions() { // connect (or reconnect) anything that calls change or update plot connect(m_ui->combo_spectra, SIGNAL(currentIndexChanged(int)), this, SLOT(changeSpectra())); connect(m_ui->xAxisMinimum, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); connect(m_ui->xAxisMaximum, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); connect(m_ui->yAxisMinimum, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); connect(m_ui->yAxisMaximum, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); connect(m_ui->peakWidth, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); } void SpectraDialog::disconnectOptions() { // disconnect anything that calls change or update plot disconnect(m_ui->combo_spectra, SIGNAL(currentIndexChanged(int)), this, SLOT(changeSpectra())); disconnect(m_ui->xAxisMinimum, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); disconnect(m_ui->xAxisMaximum, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); disconnect(m_ui->yAxisMinimum, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); disconnect(m_ui->yAxisMaximum, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); disconnect(m_ui->peakWidth, SIGNAL(valueChanged(double)), this, SLOT(updatePlot())); } void SpectraDialog::updateElementCombo() { // update the element combo box disconnect(m_ui->elementCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(changeSpectra())); m_ui->elementCombo->clear(); // go through the elements in atomic number order // make a copy of the vector std::vector elements = m_elements; std::sort(elements.begin(), elements.end()); // add the unique elements, with the element number as the data for (auto& element : elements) { // check to see if it's already in the combo box bool found = false; for (int i = 0; i < m_ui->elementCombo->count(); ++i) { if (m_ui->elementCombo->itemData(i).toInt() == element) { found = true; break; } } if (found) continue; switch (element) { case 1: m_ui->elementCombo->addItem("¹H", element); break; case 3: m_ui->elementCombo->addItem("⁷Li", element); break; case 5: m_ui->elementCombo->addItem("¹¹B", element); break; case 6: m_ui->elementCombo->addItem("¹³C", element); break; case 7: m_ui->elementCombo->addItem("¹⁵N", element); break; case 8: m_ui->elementCombo->addItem("¹⁷O", element); break; case 9: m_ui->elementCombo->addItem("¹⁹F", element); break; case 14: m_ui->elementCombo->addItem("²⁹Si", element); break; case 15: m_ui->elementCombo->addItem("³¹P", element); break; default: m_ui->elementCombo->addItem(QString::number(element), element); break; } } // connect the element combo box connect(m_ui->elementCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(changeSpectra())); changeSpectra(); // default to 1H } void SpectraDialog::changeSpectra() { // based on the current spectra type, update the options // and prep the spectra for plotting QSettings settings; disconnectOptions(); // what type of spectra are we plotting? SpectraType type = static_cast(m_ui->combo_spectra->currentData().toInt()); // only show for NMR m_ui->elementCombo->hide(); // todo: some spectra might want to swtich units m_transitions.clear(); m_intensities.clear(); switch (type) { case SpectraType::Infrared: m_transitions = fromMatrix(m_spectra["IR"].col(0)); m_intensities = fromMatrix(m_spectra["IR"].col(1)); settings.beginGroup("spectra/ir"); m_ui->scaleSpinBox->setValue(settings.value("scale", 1.0).toDouble()); m_ui->offsetSpinBox->setValue(settings.value("offset", 0.0).toDouble()); m_ui->xAxisMinimum->setValue(settings.value("xmin", 4000.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", 400.0).toDouble()); m_ui->peakWidth->setValue(settings.value("fwhm", 30.0).toDouble()); settings.endGroup(); break; case SpectraType::Raman: m_transitions = fromMatrix(m_spectra["Raman"].col(0)); m_intensities = fromMatrix(m_spectra["Raman"].col(1)); settings.beginGroup("spectra/raman"); m_ui->scaleSpinBox->setValue(settings.value("scale", 1.0).toDouble()); m_ui->offsetSpinBox->setValue(settings.value("offset", 0.0).toDouble()); m_ui->xAxisMinimum->setValue(settings.value("xmin", 0.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", 4000.0).toDouble()); m_ui->peakWidth->setValue(settings.value("fwhm", 30.0).toDouble()); settings.endGroup(); break; case SpectraType::NMR: // settings handled per-element below m_ui->elementCombo->show(); break; case SpectraType::Electronic: m_transitions = fromMatrix(m_spectra["Electronic"].col(0)); m_intensities = fromMatrix(m_spectra["Electronic"].col(1)); settings.beginGroup("spectra/electronic"); m_ui->scaleSpinBox->setValue(settings.value("scale", 1.0).toDouble()); m_ui->offsetSpinBox->setValue(settings.value("offset", 0.0).toDouble()); // in eV m_ui->xAxisMinimum->setValue(settings.value("xmin", 5.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", 1.0).toDouble()); m_ui->peakWidth->setValue(settings.value("fwhm", 0.1).toDouble()); settings.endGroup(); break; case SpectraType::CircularDichroism: m_transitions = fromMatrix(m_spectra["Electronic"].col(0)); // check if electronic has a third column if (m_spectra["Electronic"].cols() > 2) m_intensities = fromMatrix(m_spectra["Electronic"].col(2)); else // grab it from the CD data m_intensities = fromMatrix(m_spectra["CircularDichroism"].col(1)); settings.beginGroup("spectra/cd"); m_ui->scaleSpinBox->setValue(settings.value("scale", 1.0).toDouble()); m_ui->offsetSpinBox->setValue(settings.value("offset", 0.0).toDouble()); // default to eV units m_ui->xAxisMinimum->setValue(settings.value("xmin", 5.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", 1.0).toDouble()); m_ui->peakWidth->setValue(settings.value("fwhm", 0.1).toDouble()); settings.endGroup(); break; case SpectraType::DensityOfStates: m_transitions = fromMatrix(m_spectra["DensityOfStates"].col(0)); m_intensities = fromMatrix(m_spectra["DensityOfStates"].col(1)); settings.beginGroup("spectra/dos"); m_ui->scaleSpinBox->setValue(settings.value("scale", 1.0).toDouble()); m_ui->offsetSpinBox->setValue(settings.value("offset", 0.0).toDouble()); m_ui->xAxisMinimum->setValue(settings.value("xmin", -50.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", 50.0).toDouble()); m_ui->peakWidth->setValue(settings.value("fwhm", 0.1).toDouble()); settings.endGroup(); break; } // a bunch of special work depending on the NMR element if (type == SpectraType::NMR) { // get the element int element = m_ui->elementCombo->currentData().toInt(); settings.beginGroup(QString("spectra/nmr/%1").arg(element)); m_ui->scaleSpinBox->setValue(settings.value("scale", 1.0).toDouble()); m_ui->peakWidth->setValue(settings.value("fwhm", 0.1).toDouble()); // tweak the default axis range // based on https://imserc.northwestern.edu/guide/eNMR/chem/NMRnuclei.html // offsets are approximate from a few calculations // .. to at least provide a starting point switch (element) { case 1: // 1H m_ui->xAxisMinimum->setValue(settings.value("xmin", 12.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", 0.0).toDouble()); m_ui->offsetSpinBox->setValue( settings.value("offset", 31.876).toDouble()); break; case 3: // 7Li m_ui->xAxisMinimum->setValue(settings.value("xmin", -16.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", 11.0).toDouble()); // TODO: offset m_ui->offsetSpinBox->setValue(settings.value("offset", 0.0).toDouble()); break; case 5: // 11B m_ui->xAxisMinimum->setValue(settings.value("xmin", 100.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", -120.0).toDouble()); m_ui->offsetSpinBox->setValue( settings.value("offset", 109.774).toDouble()); break; case 6: // 13C m_ui->xAxisMinimum->setValue(settings.value("xmin", 200.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", 0.0).toDouble()); m_ui->offsetSpinBox->setValue( settings.value("offset", 192.038).toDouble()); break; case 7: // 15N m_ui->xAxisMinimum->setValue(settings.value("xmin", 800.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", 0.0).toDouble()); m_ui->offsetSpinBox->setValue( settings.value("offset", -106.738).toDouble()); break; case 8: // 17O m_ui->xAxisMinimum->setValue(settings.value("xmin", 1600.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", -50.0).toDouble()); m_ui->offsetSpinBox->setValue( settings.value("offset", 347.782).toDouble()); break; case 9: // 19F m_ui->xAxisMinimum->setValue(settings.value("xmin", 60.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", -300.0).toDouble()); m_ui->offsetSpinBox->setValue( settings.value("offset", 206.735).toDouble()); break; case 14: // 29Si m_ui->xAxisMinimum->setValue(settings.value("xmin", 50.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", -200.0).toDouble()); m_ui->offsetSpinBox->setValue( settings.value("offset", 400.876).toDouble()); break; case 15: // 31P m_ui->xAxisMinimum->setValue(settings.value("xmin", 250.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", -250.0).toDouble()); m_ui->offsetSpinBox->setValue( settings.value("offset", 392.841).toDouble()); break; default: m_ui->xAxisMinimum->setValue(settings.value("xmax", 100.0).toDouble()); m_ui->xAxisMaximum->setValue(settings.value("xmax", -100.0).toDouble()); m_ui->offsetSpinBox->setValue(settings.value("offset", 0.0).toDouble()); break; } settings.endGroup(); // the default NMR data has all the atoms in it, // so we need to loop through m_elements to filter MatrixX nmr = m_spectra["NMR"]; for (int i = 0; i < m_elements.size(); ++i) { if (m_elements[i] == element) { m_transitions.push_back(nmr(i, 0)); } } // fill the intensities with 1.0 m_intensities.resize(m_transitions.size(), 1.0); } // other spectra transitions and intensities are already set // update the data table double maxIntensity = 0.0; m_ui->dataTable->setRowCount(m_transitions.size()); m_ui->dataTable->setColumnCount(2); for (auto i = 0; i < m_transitions.size(); ++i) { // frequency or energy QTableWidgetItem* item = new QTableWidgetItem(QString::number(m_transitions[i], 'f', 4)); m_ui->dataTable->setItem(i, 0, item); // intensities item = new QTableWidgetItem(QString::number(m_intensities[i], 'f', 4)); m_ui->dataTable->setItem(i, 1, item); if (m_intensities[i] > maxIntensity) maxIntensity = m_intensities[i]; } // update the spin boxes m_ui->yAxisMaximum->setValue(maxIntensity); m_ui->yAxisMinimum->setMinimum(0.0); // if CD, set the minimum too if (type == SpectraType::CircularDichroism) { m_ui->yAxisMinimum->setMinimum(-maxIntensity * 2.0); m_ui->yAxisMinimum->setValue(-maxIntensity); } updatePlot(); connectOptions(); } void SpectraDialog::setSpectra(const std::map& spectra) { m_spectra = spectra; // update the combo box disconnect(m_ui->combo_spectra, SIGNAL(currentIndexChanged(int)), this, SLOT(changeSpectra())); m_ui->combo_spectra->clear(); for (auto& spectra : m_spectra) { QString name = QString::fromStdString(spectra.first); if (name == "IR") { name = tr("Infrared"); m_ui->combo_spectra->addItem(name, static_cast(SpectraType::Infrared)); } else if (name == "Raman") { name = tr("Raman"); m_ui->combo_spectra->addItem(name, static_cast(SpectraType::Raman)); } else if (name == "NMR") { name = tr("NMR"); m_ui->combo_spectra->addItem(name, static_cast(SpectraType::NMR)); } else if (name == "Electronic") { name = tr("Electronic"); m_ui->combo_spectra->addItem(name, static_cast(SpectraType::Electronic)); } else if (name == "CircularDichroism") { name = tr("Circular Dichroism"); m_ui->combo_spectra->addItem( name, static_cast(SpectraType::CircularDichroism)); } else if (name == "DensityOfStates") { name = tr("Density of States"); m_ui->combo_spectra->addItem( name, static_cast(SpectraType::DensityOfStates)); } } changeSpectra(); // connect again connect(m_ui->combo_spectra, SIGNAL(currentIndexChanged(int)), this, SLOT(changeSpectra())); } void SpectraDialog::writeSettings() const { QSettings settings; settings.setValue("spectra/currentSpectra", m_ui->combo_spectra->currentIndex()); } void SpectraDialog::readSettings() { QSettings settings; settings.beginGroup("spectra"); // update the dialog with saved settings // font size int fontSize = settings.value("fontSize", 12).toInt(); m_ui->fontSizeCombo->setCurrentText(QString::number(fontSize)); // line width float lineWidth = settings.value("lineWidth", 1.0).toFloat(); m_ui->lineWidthSpinBox->setValue(lineWidth); // TODO: other bits settings.endGroup(); } void SpectraDialog::changeBackgroundColor() { QSettings settings; QColor current = settings.value("backgroundColor", white).value(); QColor color = QColorDialog::getColor(current, this, tr("Select Background Color")); if (color.isValid() && color != current) { settings.setValue("spectra/backgroundColor", color); updatePlot(); } } void SpectraDialog::changeForegroundColor() { QSettings settings; QColor current = settings.value("spectra/foregroundColor", black).value(); QColor color = QColorDialog::getColor(current, this, tr("Select Foreground Color")); if (color.isValid() && color != current) { settings.setValue("spectra/foregroundColor", color); updatePlot(); } } void SpectraDialog::changeCalculatedSpectraColor() { QSettings settings; QColor current = settings.value("spectra/calculatedColor", black).value(); QColor color = QColorDialog::getColor(current, this, tr("Select Calculated Spectra Color")); if (color.isValid() && color != current) { settings.setValue("spectra/calculatedColor", color); updatePlot(); } } void SpectraDialog::changeImportedSpectraColor() { QSettings settings; QColor current = settings.value("spectra/importedColor", red).value(); QColor color = QColorDialog::getColor(current, this, tr("Select Imported Spectra Color")); if (color.isValid() && color != current) { settings.setValue("spectra/importedColor", color); updatePlot(); } } void SpectraDialog::changeFontSize() { int size = m_ui->fontSizeCombo->currentText().toInt(); QSettings settings; settings.setValue("spectra/fontSize", size); updatePlot(); } void SpectraDialog::changeLineWidth() { float width = m_ui->lineWidthSpinBox->value(); QSettings settings; settings.setValue("spectra/lineWidth", width); updatePlot(); } /////////////////////// // Plot Manipulation // /////////////////////// void SpectraDialog::updatePlot() { // disconnect the options while we update the plot disconnectOptions(); // the raw data std::vector transitions, intensities; // for the plot std::vector xData, yData, yStick; // determine the type to plot SpectraType type = static_cast(m_ui->combo_spectra->currentData().toInt()); QSettings settings; QString windowName; QString xTitle; QString yTitle; // TODO: switch units for electronic and CD QString xWave = tr("Wavelength (nm)"); bool transmission = false; // get the raw data from the spectra map switch (type) { case SpectraType::Infrared: windowName = tr("Vibrational Spectra"); xTitle = tr("Wavenumbers (cm⁻¹)"); yTitle = tr("Transmission"); transmission = true; settings.beginGroup("spectra/ir"); settings.setValue("xmin", float(m_ui->xAxisMinimum->value())); settings.setValue("xmax", m_ui->xAxisMaximum->value()); settings.setValue("fwhm", float(m_ui->peakWidth->value())); settings.setValue("scale", m_ui->scaleSpinBox->value()); settings.setValue("offset", m_ui->offsetSpinBox->value()); settings.endGroup(); break; case SpectraType::Raman: windowName = tr("Raman Spectra"); xTitle = tr("Wavenumbers (cm⁻¹)"); yTitle = tr("Intensity"); // save the plot settings settings.beginGroup("spectra/raman"); settings.setValue("xmin", m_ui->xAxisMinimum->value()); settings.setValue("xmax", m_ui->xAxisMaximum->value()); settings.setValue("fwhm", m_ui->peakWidth->value()); settings.setValue("scale", m_ui->scaleSpinBox->value()); settings.setValue("offset", m_ui->offsetSpinBox->value()); settings.endGroup(); break; case SpectraType::NMR: windowName = tr("NMR Spectra"); xTitle = tr("Chemical Shift (ppm)"); yTitle = tr("Intensity"); // save the plot settings on a per element basis settings.beginGroup(QString("spectra/nmr/%1") .arg(m_ui->elementCombo->currentData().toInt())); settings.setValue("xmin", m_ui->xAxisMinimum->value()); settings.setValue("xmax", m_ui->xAxisMaximum->value()); settings.setValue("fwhm", m_ui->peakWidth->value()); settings.setValue("scale", m_ui->scaleSpinBox->value()); settings.setValue("offset", m_ui->offsetSpinBox->value()); settings.endGroup(); break; case SpectraType::Electronic: windowName = tr("Electronic Spectra"); xTitle = tr("Energy (eV)"); yTitle = tr("Intensity"); // save settings settings.beginGroup("spectra/electronic"); settings.setValue("xmin", m_ui->xAxisMinimum->value()); settings.setValue("xmax", m_ui->xAxisMaximum->value()); settings.setValue("fwhm", m_ui->peakWidth->value()); settings.setValue("scale", m_ui->scaleSpinBox->value()); settings.setValue("offset", m_ui->offsetSpinBox->value()); settings.endGroup(); break; case SpectraType::CircularDichroism: windowName = tr("Circular Dichroism Spectra"); xTitle = tr("Energy (eV)"); yTitle = tr("Intensity"); // save settings settings.beginGroup("spectra/cd"); settings.setValue("xmin", m_ui->xAxisMinimum->value()); settings.setValue("xmax", m_ui->xAxisMaximum->value()); settings.setValue("fwhm", m_ui->peakWidth->value()); settings.setValue("scale", m_ui->scaleSpinBox->value()); settings.setValue("offset", m_ui->offsetSpinBox->value()); settings.endGroup(); break; case SpectraType::DensityOfStates: windowName = tr("Density of States"); xTitle = tr("Energy (eV)"); yTitle = tr("Density"); // save settings settings.beginGroup("spectra/dos"); settings.setValue("xmin", m_ui->xAxisMinimum->value()); settings.setValue("xmax", m_ui->xAxisMaximum->value()); settings.setValue("fwhm", m_ui->peakWidth->value()); settings.setValue("scale", m_ui->scaleSpinBox->value()); settings.setValue("offset", m_ui->offsetSpinBox->value()); settings.endGroup(); break; } setWindowTitle(windowName); double maxIntensity = 0.0f; for (auto intensity : m_intensities) { if (intensity > maxIntensity) maxIntensity = intensity; } // if transmission for IR, set the max intensity to 100 if (type == SpectraType::Infrared) maxIntensity = 100.0; if (maxIntensity < 1.0) maxIntensity = 1.0; // now compose the plot data float scale = m_ui->scaleSpinBox->value(); float offset = m_ui->offsetSpinBox->value(); // NMR offsets should be inverted if (type == SpectraType::NMR) { scale = -scale; } float fwhm = m_ui->peakWidth->value(); float xMin = m_ui->xAxisMinimum->value(); float xMax = m_ui->xAxisMaximum->value(); float start = std::min(xMin, xMax); float end = std::max(xMin, xMax); // for some spectra, we need to take small steps, so we scale the x axis float xScale = 1.0; if (type == SpectraType::Electronic || type == SpectraType::CircularDichroism) xScale = 1.0f / 0.05f; else if (type == SpectraType::NMR) xScale = 1.0f / 0.01f; // TODO: process an experimental spectrum via interpolation for (unsigned int x = round(start * xScale); x < round(end * xScale); ++x) { float xValue = static_cast(x) / xScale; xData.push_back(xValue); yData.push_back(0.0f); yStick.push_back(0.0f); // now we add up the intensity from any frequency for (auto index = 0; index < m_transitions.size(); ++index) { float freq = m_transitions[index]; float peak = m_intensities[index]; float intensity = scaleAndBlur(xValue, freq, peak, scale, offset, fwhm); float stick = closestTo(xValue, freq, peak, scale, offset, xScale); yData.back() += intensity; yStick.back() += stick; } // if transmission, we need to invert the intensity if (transmission) { float trans = 1.0f - (yData.back() / (maxIntensity * 1.25)); yData.back() = trans * 100.0; // percent trans = 1.0f - (yStick.back() / maxIntensity); yStick.back() = trans * 100.0; // percent } } auto* chart = chartWidget(); chart->clearPlots(); chart->setXAxisTitle(xTitle.toStdString()); chart->setYAxisTitle(yTitle.toStdString()); unsigned int fontSize = m_ui->fontSizeCombo->currentText().toInt(); chart->setFontSize(fontSize); float lineWidth = m_ui->lineWidthSpinBox->value(); chart->setLineWidth(lineWidth); // get the spectra color QColor spectraColor = settings.value("spectra/calculatedColor", black).value(); VTK::color4ub calculatedColor = { static_cast(spectraColor.red()), static_cast(spectraColor.green()), static_cast(spectraColor.blue()), static_cast(spectraColor.alpha()) }; chart->addPlot(xData, yData, calculatedColor); VTK::color4ub importedColor = { 255, 0, 0, 255 }; chart->addSeries(yStick, importedColor); // axis limits float xAxisMin = m_ui->xAxisMinimum->value(); float xAxisMax = m_ui->xAxisMaximum->value(); float yAxisMin = m_ui->yAxisMinimum->value(); float yAxisMax = m_ui->yAxisMaximum->value(); chart->setXAxisLimits(xAxisMin, xAxisMax); chart->setYAxisLimits(yAxisMin, yAxisMax); // re-enable the options connectOptions(); } VTK::ChartWidget* SpectraDialog::chartWidget() { return m_ui->plot; } void SpectraDialog::toggleOptions() { if (m_ui->tab_widget->isHidden()) { m_ui->tab_widget->show(); // todo: show the data table // m_ui->dataTable->show(); // m_ui->push_exportData->show(); QSize s = size(); s.setWidth(s.width() + m_ui->dataTable->size().width()); s.setHeight(s.height() + m_ui->tab_widget->size().height()); QRect rect = QGuiApplication::primaryScreen()->geometry(); if (s.width() > rect.width() || s.height() > rect.height()) s = rect.size() * 0.9; resize(s); move(rect.width() / 2 - s.width() / 2, rect.height() / 2 - s.height() / 2); } else { QSize s = size(); s.setWidth(s.width() - m_ui->dataTable->size().width()); s.setHeight(s.height() - m_ui->tab_widget->size().height()); resize(s); m_ui->tab_widget->hide(); m_ui->dataTable->hide(); m_ui->push_exportData->hide(); QRect rect = QGuiApplication::primaryScreen()->geometry(); move(rect.width() / 2 - s.width() / 2, rect.height() / 2 - s.height() / 2); } } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/spectra/spectradialog.h000066400000000000000000000034061474375334400246310ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SPECTRADIALOG_H #define AVOGADRO_QTPLUGINS_SPECTRADIALOG_H #include #include #include namespace Ui { class SpectraDialog; } namespace Avogadro { namespace VTK { class ChartWidget; } namespace QtPlugins { enum class SpectraType { Infrared, Raman, NMR, Electronic, CircularDichroism, DensityOfStates }; class SpectraDialog : public QDialog { Q_OBJECT public: explicit SpectraDialog(QWidget* parent = 0); ~SpectraDialog(); void writeSettings() const; void readSettings(); void setSpectra(const std::map& spectra); void setElements(const std::vector& elements) { m_elements = elements; updateElementCombo(); } VTK::ChartWidget* chartWidget(); void disconnectOptions(); void connectOptions(); private slots: void changeBackgroundColor(); void changeForegroundColor(); void changeCalculatedSpectraColor(); void changeImportedSpectraColor(); void changeFontSize(); void changeLineWidth(); void changeSpectra(); void updateElementCombo(); void updatePlot(); void toggleOptions(); private: std::map m_spectra; std::vector m_elements; // for NMR // current spectra data std::vector m_transitions; std::vector m_intensities; QString m_currentSpectraType; Ui::SpectraDialog* m_ui; }; } // namespace QtPlugins } // namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/qtplugins/spectra/spectradialog.ui000066400000000000000000000474351474375334400250310ustar00rootroot00000000000000 SpectraDialog 0 0 808 480 808 480 Spectra Visualization true 0 0 0 Spectra Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter -4000.000000000000000 4000.000000000000000 Scale Factor: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 4000.000000000000000 X-Axis Minimum: X-Axis Maximum: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 3 Offset: Y-Axis Maximum: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 4000.000000000000000 Y-Axis Minimum: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 4000.000000000000000 Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 4 0.100000000000000 1.000000000000000 Peak Width: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 0.010000000000000 false Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter Peak Threshold: Units: false &Appearance false Show false 0 0 Imports a tsv of experimental spectra to overlay on the plot. &Import... false 0 0 Set Color... 0 0 Axis: Imported Spectra: true 0 0 Show true 0 0 Set Color... false 0 0 &Export... 0 0 Set Color... 0 0 Background: 0 0 Calculated Spectra: 0 0 Set Color... Font Size: true 10 12 14 16 18 Line Width: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 1 1.000000000000000 10.000000000000000 0.500000000000000 0 0 Export Data 0 0 &Close 0 0 &Options… 0 0 160 0 Qt::ScrollBarAlwaysOff QAbstractItemView::NoEditTriggers true QAbstractItemView::SingleSelection QAbstractItemView::SelectRows true true false false true x y 0 0 500 210 800 600 CrossCursor Controls: Double left click: Restore default axis limits Right click + drag: Move plot Middle click + drag: Zoom to region Scroll wheel: Zoom to cursor false 0 0 &Load data... ¹H ¹³C Avogadro::VTK::ChartWidget QWidget
      avogadro/vtk/chartwidget.h
      1       combo_spectra push_loadSpectra push_options scaleSpinBox offsetSpinBox peakWidth peakThreshold xAxisMinimum xAxisMaximum yAxisMinimum yAxisMaximum push_colorBackground push_colorForeground push_colorCalculated cb_calculate push_export push_colorImported cb_import push_import lineWidthSpinBox fontSizeCombo dataTable push_exportData pushButton tab_widget pushButton clicked() SpectraDialog accept() 525 277 199 149       avogadrolibs-1.100.0/avogadro/qtplugins/surfaces/000077500000000000000000000000001474375334400220065ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/surfaces/CMakeLists.txt000066400000000000000000000015731474375334400245540ustar00rootroot00000000000000if(QT_VERSION EQUAL 6) find_package(Qt6 REQUIRED COMPONENTS OpenGL) endif() set(surfaces_srcs surfacedialog.cpp surfaces.cpp ) avogadro_plugin(Surfaces "Surfaces" ExtensionPlugin surfaces.h Surfaces "${surfaces_srcs}" "surfacedialog.ui" ) target_link_libraries(Surfaces PRIVATE Avogadro::Calc Avogadro::QuantumIO Avogadro::QtOpenGL Qt::Concurrent gif-h gwavi tinycolormap) set(orbitals_srcs orbitaltablemodel.cpp orbitalwidget.cpp orbitals.cpp ) avogadro_plugin(Orbitals "Render Molecular Orbitals" ExtensionPlugin orbitals.h Orbitals "${orbitals_srcs}" "orbitalwidget.ui" ) target_link_libraries(Orbitals PRIVATE Avogadro::QtOpenGL Qt::Concurrent) if(QT_VERSION EQUAL 6) target_link_libraries(Surfaces PRIVATE Qt6::OpenGL) target_link_libraries(Orbitals PRIVATE Qt6::OpenGL) endif() avogadrolibs-1.100.0/avogadro/qtplugins/surfaces/orbitals.cpp000066400000000000000000000345641474375334400243450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "orbitals.h" #include "orbitalwidget.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { const double cubePadding = 5.0; const int smoothingPasses = 1; Orbitals::Orbitals(QObject* p) : ExtensionPlugin(p), m_molecule(nullptr), m_dialog(nullptr), m_action(new QAction(this)) { m_action->setEnabled(false); m_action->setText(tr("Molecular Orbitals…")); connect(m_action, SIGNAL(triggered()), SLOT(openDialog())); } Orbitals::~Orbitals() { // cancel the current running calculation if (m_gaussianConcurrent) { qDebug() << "Cancelling current calculation"; auto* watcher = &m_gaussianConcurrent->watcher(); if (watcher != nullptr && watcher->isRunning()) watcher->cancel(); } if (m_dialog) m_dialog->deleteLater(); // molecule and basis are freed elsewhere } QList Orbitals::actions() const { return QList() << m_action; } QStringList Orbitals::menuPath(QAction*) const { QStringList path; path << tr("&Analysis"); return path; } void Orbitals::setMolecule(QtGui::Molecule* mol) { if (mol == nullptr) return; if (m_molecule != nullptr) m_molecule->disconnect(this); m_molecule = mol; // check if it has basis set data bool hasOrbitals = (m_molecule->basisSet() != nullptr); // sanity check if there are actually mo coefficients auto* basis = dynamic_cast(m_molecule->basisSet()); if (basis == nullptr || basis->moMatrix().size() == 0) hasOrbitals = false; if (hasOrbitals) m_action->setEnabled(true); else { m_action->setEnabled(false); if (m_dialog) m_dialog->hide(); } connect(m_molecule, SIGNAL(changed(unsigned int)), SLOT(moleculeChanged(unsigned int))); // Stuff we manage that will not be valid any longer m_queue.clear(); m_currentRunningCalculation = -1; m_currentMeshCalculation = -1; loadBasis(); if (!m_basis || m_basis->electronCount() == 0 || !hasOrbitals) return; // no electrons, no orbitals loadOrbitals(); precalculateOrbitals(); } void Orbitals::loadBasis() { if (m_molecule != nullptr) { m_basis = m_molecule->basisSet(); } } void Orbitals::loadOrbitals() { if (m_basis == nullptr || m_molecule == nullptr) return; auto* basis = dynamic_cast(m_molecule->basisSet()); if (basis == nullptr || basis->moMatrix().size() == 0) return; if (!m_dialog) { m_dialog = new OrbitalWidget(qobject_cast(parent()), Qt::Window); connect(m_dialog, SIGNAL(orbitalSelected(unsigned int)), this, SLOT(renderOrbital(unsigned int))); connect(m_dialog, SIGNAL(renderRequested(unsigned int, double)), this, SLOT(calculateOrbitalFromWidget(unsigned int, double))); connect(m_dialog, SIGNAL(calculateAll()), this, SLOT(precalculateOrbitals())); } m_dialog->fillTable(m_basis); m_dialog->show(); } void Orbitals::moleculeChanged(unsigned int changes) { if (m_molecule == nullptr) return; bool isEnabled = m_action->isEnabled(); bool hasOrbitals = (m_molecule->basisSet() != nullptr); // sanity check if there are actually mo coefficients auto* basis = dynamic_cast(m_molecule->basisSet()); if (basis == nullptr || basis->moMatrix().size() == 0) hasOrbitals = false; if (isEnabled != hasOrbitals) { m_action->setEnabled(hasOrbitals); if (hasOrbitals) openDialog(); } } void Orbitals::openDialog() { if (!m_dialog) { m_dialog = new OrbitalWidget(qobject_cast(parent()), Qt::Window); connect(m_dialog, SIGNAL(orbitalSelected(unsigned int)), this, SLOT(renderOrbital(unsigned int))); connect(m_dialog, SIGNAL(renderRequested(unsigned int, double)), this, SLOT(calculateOrbitalFromWidget(unsigned int, double))); connect(m_dialog, SIGNAL(calculateAll()), this, SLOT(precalculateOrbitals())); } m_dialog->show(); m_dialog->raise(); } void Orbitals::calculateOrbitalFromWidget(unsigned int orbital, double resolution) { m_updateMesh = true; // check if the orbital is already in the queue bool found = false; for (int i = 0; i < m_queue.size(); i++) { if (m_queue[i].orbital == orbital && m_queue[i].resolution == resolution) { // change the priority to the highest m_queue[i].priority = 0; found = true; break; } } if (!found) { addCalculationToQueue(orbital, resolution, m_dialog->isovalue(), 0); } checkQueue(); } void Orbitals::precalculateOrbitals() { if (m_basis == nullptr) return; m_updateMesh = false; // Determine HOMO unsigned int homo = m_basis->homo(); // Initialize prioritizer at HOMO's index int priority = homo; // Loop through all MOs, submitting calculations with increasing // priority until HOMO is reached, submit both HOMO and LUMO at // priority=1, then start increasing for orbitals above LUMO. // E.g, // .... HOMO-2 HOMO-1 HOMO LUMO LUMO+1 LUMO+2 ... << orbitals // .... 3 2 1 1 2 3 ... << priorities // Determine range of precalculated orbitals int startIndex = (m_dialog->precalcLimit()) ? homo - (m_dialog->precalcRange() / 2) : 0; if (startIndex < 0) { startIndex = 0; } int endIndex = (m_dialog->precalcLimit()) ? homo + (m_dialog->precalcRange() / 2) - 1 : m_basis->molecularOrbitalCount(); if (endIndex > m_basis->molecularOrbitalCount() - 1) { endIndex = m_basis->molecularOrbitalCount() - 1; } for (unsigned int i = startIndex; i <= endIndex; i++) { #ifndef NDEBUG qDebug() << " precalculate " << i << " priority " << priority; #endif addCalculationToQueue( i, // orbital OrbitalWidget::OrbitalQualityToDouble(m_dialog->defaultQuality()), m_dialog->isovalue(), priority); // Update priority. Stays the same when i = homo. if (i + 1 < homo) priority--; else if (i + 1 > homo) priority++; } checkQueue(); } void Orbitals::addCalculationToQueue(unsigned int orbital, double resolution, double isovalue, unsigned int priority) { // Create new queue entry calcInfo newCalc; newCalc.orbital = orbital; newCalc.resolution = resolution; newCalc.isovalue = isovalue; newCalc.priority = priority; newCalc.state = NotStarted; // Add new calculation m_queue.append(newCalc); // Set progress to show 0% m_dialog->calculationQueued(newCalc.orbital); } void Orbitals::checkQueue() { if (m_runningCube) return; m_runningCube = true; // Create a hash: keys=priority, values=indices QHash hash; CalcState state; for (int i = 0; i < m_queue.size(); i++) { state = m_queue.at(i).state; // If there is already a running cube, return. if (state == Running) { return; } if (state == NotStarted) { hash.insert(m_queue[i].priority, i); } } // Do nothing if all calcs are finished. if (hash.size() == 0) { m_runningCube = false; #ifndef NDEBUG qDebug() << "Finished queue."; #endif return; } QList priorities = hash.keys(); std::sort(priorities.begin(), priorities.end()); startCalculation(hash.value(priorities.first())); } void Orbitals::startCalculation(unsigned int queueIndex) { // This will launch calculateMesh when finished. m_currentRunningCalculation = queueIndex; calcInfo* info = &m_queue[m_currentRunningCalculation]; #ifndef NDEBUG qDebug() << info->orbital << " startCalculation() called"; #endif switch (info->state) { case NotStarted: // Start calculation calculateCube(); break; case Running: // Nothing below should happen... qWarning() << "startCalculation called on a running calc..."; break; case Completed: qWarning() << "startCalculation called on a completed calc..."; break; case Canceled: qWarning() << "startCalculation called on a canceled calc..."; break; } } void Orbitals::calculateCube() { if (m_currentRunningCalculation == -1) return; calcInfo* info = &m_queue[m_currentRunningCalculation]; info->state = Running; // Check if the cube we want already exists for (int i = 0; i < m_queue.size(); i++) { calcInfo* cI = &m_queue[i]; if (cI->state == Completed && cI->orbital == info->orbital && cI->resolution == info->resolution) { info->cube = cI->cube; #ifndef NDEBUG qDebug() << "Reusing cube from calculation " << i << ":\n" << "\tOrbital " << cI->orbital << "\n" << "\tResolution " << cI->resolution; #endif m_currentMeshCalculation = m_currentRunningCalculation; calculatePosMesh(); calculationComplete(); return; } } // Create new cube Core::Cube* cube = m_molecule->addCube(); info->cube = cube; cube->setLimits(*m_molecule, info->resolution, cubePadding); cube->setName("Molecular Orbital " + std::to_string(info->orbital + 1)); cube->setCubeType(Core::Cube::Type::MO); if (!m_gaussianConcurrent) { m_gaussianConcurrent = new QtGui::GaussianSetConcurrent(this); } m_gaussianConcurrent->setMolecule(m_molecule); auto* watcher = &m_gaussianConcurrent->watcher(); connect(watcher, SIGNAL(finished()), this, SLOT(calculateCubeDone())); m_dialog->initializeProgress(info->orbital, watcher->progressMinimum(), watcher->progressMaximum(), 1, 3); connect(watcher, SIGNAL(progressValueChanged(int)), this, SLOT(updateProgress(int))); #ifndef NDEBUG qDebug() << info->orbital << " Cube calculation started."; #endif // TODO: add alpha / beta m_gaussianConcurrent->calculateMolecularOrbital(cube, info->orbital); } void Orbitals::calculateCubeDone() { auto* watcher = &m_gaussianConcurrent->watcher(); watcher->disconnect(this); if (m_updateMesh) { if (m_currentMeshCalculation == -1) { m_currentMeshCalculation = m_currentRunningCalculation; calculatePosMesh(); } else { m_nextMeshCalculation = m_currentRunningCalculation; } } calculationComplete(); } void Orbitals::calculatePosMesh() { if (m_currentMeshCalculation == -1) return; calcInfo* info = &m_queue[m_currentMeshCalculation]; m_molecule->clearMeshes(); auto posMesh = m_molecule->addMesh(); auto cube = info->cube; if (!m_meshGenerator) { m_meshGenerator = new QtGui::MeshGenerator; } connect(m_meshGenerator, SIGNAL(finished()), SLOT(calculatePosMeshDone())); m_meshGenerator->initialize(cube, posMesh, m_isoValue, smoothingPasses); m_meshGenerator->start(); } void Orbitals::calculatePosMeshDone() { disconnect(m_meshGenerator, 0, this, 0); calculateNegMesh(); } void Orbitals::calculateNegMesh() { if (m_currentMeshCalculation == -1) return; calcInfo* info = &m_queue[m_currentMeshCalculation]; auto negMesh = m_molecule->addMesh(); auto cube = info->cube; if (!m_meshGenerator) { // shouldn't happen, but better to be careful m_meshGenerator = new QtGui::MeshGenerator; } connect(m_meshGenerator, SIGNAL(finished()), SLOT(calculateNegMeshDone())); // true indicates that we want to reverse the surface m_meshGenerator->initialize(cube, negMesh, -m_isoValue, smoothingPasses, true); m_meshGenerator->start(); } void Orbitals::calculateNegMeshDone() { disconnect(m_meshGenerator, 0, this, 0); meshComplete(); // ask for a repaint m_molecule->emitChanged(QtGui::Molecule::Added); } void Orbitals::meshComplete() { if (m_currentMeshCalculation == -1) return; if (m_nextMeshCalculation != -1) { // start the next mesh calculation m_currentMeshCalculation = m_nextMeshCalculation; m_nextMeshCalculation = -1; calculatePosMesh(); return; } else m_currentMeshCalculation = -1; } void Orbitals::calculationComplete() { if (m_currentRunningCalculation == -1) return; calcInfo* info = &m_queue[m_currentRunningCalculation]; m_dialog->calculationComplete(info->orbital); info->state = Completed; m_currentRunningCalculation = -1; m_runningCube = false; #ifndef NDEBUG qDebug() << info->orbital << " all calculations complete."; #endif checkQueue(); } void Orbitals::renderOrbital(unsigned int row) { if (row == 0) return; // table rows are indexed from 1 // orbitals are indexed from 0 unsigned int orbital = row - 1; #ifndef NDEBUG qDebug() << "Rendering orbital " << orbital; #endif // Find the most recent calc matching the selected orbital: calcInfo calc; int index = -1; // in the event of ties, pick the best resolution double resolution = OrbitalWidget::OrbitalQualityToDouble(0); for (int i = 0; i < m_queue.size(); i++) { calc = m_queue[i]; if (calc.orbital == orbital && calc.state == Completed) { if (calc.resolution <= resolution) { resolution = calc.resolution; index = i; } } } // calculate the meshes if (index == -1) { // need to calculate the cube first calculateOrbitalFromWidget(orbital, OrbitalWidget::OrbitalQualityToDouble( m_dialog->defaultQuality())); } else { // just need to update the meshes if (m_currentMeshCalculation == -1) { m_currentMeshCalculation = index; calculatePosMesh(); // will eventually call negMesh too } else { // queue it up m_nextMeshCalculation = index; } } // add the orbital to the renderer QStringList displayTypes; displayTypes << tr("Meshes"); requestActiveDisplayTypes(displayTypes); } void Orbitals::updateProgress(int current) { if (m_currentRunningCalculation == -1) return; calcInfo* info = &m_queue[m_currentRunningCalculation]; int orbital = info->orbital; m_dialog->updateProgress(orbital, current); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/surfaces/orbitals.h000066400000000000000000000102141474375334400237740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_ORBITALS_H #define AVOGADRO_QTPLUGINS_ORBITALS_H #include #include class QAction; class QDialog; class QProgressDialog; namespace Avogadro { namespace QtGui { class MeshGenerator; class GaussianSetConcurrent; class SlaterSetConcurrent; } // namespace QtGui namespace Core { class BasisSet; class Cube; class Mesh; } // namespace Core namespace QtPlugins { /** * @brief The Orbital plugin shows a window with a list of orbitals and * .. renders selected orbitals */ class OrbitalSettingsDialog; class OrbitalWidget; class Orbitals : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit Orbitals(QObject* parent = nullptr); ~Orbitals(); QString name() const override { return tr("Orbital Window"); } QString description() const override { return tr("Display orbital lists."); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule* mol) override; enum CalcState { NotStarted = 0, Running, Completed, Canceled }; struct calcInfo { Core::Mesh* posMesh; Core::Mesh* negMesh; Core::Cube* cube; unsigned int orbital; double resolution; double isovalue; unsigned int priority; CalcState state; }; public slots: void moleculeChanged(unsigned int changes); void openDialog(); private slots: void loadBasis(); void loadOrbitals(); /** * Re-render an orbital at a higher resolution * * @param orbital The orbital to render * @param resolution The resolution of the cube */ void calculateOrbitalFromWidget(unsigned int orbital, double resolution); /** * Calculate all molecular orbitals at low priority and moderate * resolution. */ void precalculateOrbitals(); /** * Add an orbital calculation to the queue. Lower priority values * run first. Do not set automatic calculations to priority zero, * this is reserved for user requested calculations and will run * first, displaying a progress dialog. * * @param orbital Orbital number * @param resolution Resolution of grid * @param isoval Isovalue for surface * @param priority Priority. Default = 0 (user requested) */ void addCalculationToQueue(unsigned int orbital, double resolution, double isoval, unsigned int priority = 0); /** * Check that no calculations are currently running and start the * highest priority calculation. */ void checkQueue(); /** * Start or resume the calculation at the indicated index of the * queue. */ void startCalculation(unsigned int queueIndex); void calculateCube(); void calculateCubeDone(); void calculatePosMesh(); void calculatePosMeshDone(); void calculateNegMesh(); void calculateNegMeshDone(); void calculationComplete(); void meshComplete(); /** * Draw the indicated orbital on the GLWidget */ void renderOrbital(unsigned int orbital); /** * Update the progress of the current calculation */ void updateProgress(int current); private: QAction* m_action; QtGui::Molecule* m_molecule = nullptr; Core::BasisSet* m_basis = nullptr; QList m_queue; int m_currentRunningCalculation = -1; bool m_runningCube = false; int m_currentMeshCalculation = -1; int m_nextMeshCalculation = -1; QtGui::GaussianSetConcurrent* m_gaussianConcurrent = nullptr; QtGui::SlaterSetConcurrent* m_slaterConcurrent = nullptr; QFutureWatcher m_displayMeshWatcher; QtGui::MeshGenerator* m_meshGenerator = nullptr; float m_isoValue = 0.01; int m_smoothingPasses = 1; int m_meshesLeft = 0; bool m_updateMesh = false; OrbitalWidget* m_dialog = nullptr; // OrbitalSettingsDialog* m_orbitalSettingsDialog = nullptr; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_ORBITALS_H avogadrolibs-1.100.0/avogadro/qtplugins/surfaces/orbitaltablemodel.cpp000066400000000000000000000206011474375334400261760ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "orbitaltablemodel.h" #include "orbitalwidget.h" #include #include #include namespace Avogadro::QtPlugins { OrbitalTableModel::OrbitalTableModel(QWidget* parent) : QAbstractTableModel(parent) { m_orbitals.clear(); } OrbitalTableModel::~OrbitalTableModel() {} int OrbitalTableModel::columnCount(const QModelIndex&) const { return COUNT; } QVariant OrbitalTableModel::data(const QModelIndex& index, int role) const { if ((role != Qt::DisplayRole && role != Qt::TextAlignmentRole) || !index.isValid()) return QVariant(); // Simple lambda to convert QFlags to variant as in Qt 6 this needs help. auto toVariant = [&](auto flags) { return static_cast(flags); }; if (role == Qt::TextAlignmentRole) { switch (Column(index.column())) { case C_Energy: return toVariant(Qt::AlignRight | Qt::AlignVCenter); // numeric alignment case C_Status: // everything else can be centered case C_Description: case C_Symmetry: default: return toVariant(Qt::AlignHCenter | Qt::AlignVCenter); } } const Orbital* orb = m_orbitals.at(index.row()); QString symbol; // use subscripts int subscriptStart; switch (Column(index.column())) { case C_Description: return orb->description; case C_Energy: return QString("%L1").arg(orb->energy, 0, 'f', 3); case C_Status: { // Check for divide by zero int percent; if (orb->max == orb->min) percent = 0; else { percent = 100 * (orb->current - orb->min) / float(orb->max - orb->min); // Adjust for stages int stages = (orb->totalStages == 0) ? 1 : orb->totalStages; percent /= float(stages); percent += (orb->stage - 1) * (100.0 / float(stages)); // clamp to 100% if (percent > 100) percent = 100; } return QString("%L1%").arg(percent); } case C_Symmetry: symbol = orb->symmetry; if (symbol.length() > 1) { subscriptStart = 1; if (symbol[0] == '?') subscriptStart++; symbol.insert(subscriptStart, QString("")); symbol.append(QString("")); } symbol.replace('\'', QString("'")); symbol.replace('"', QString("\"")); return symbol; default: case COUNT: return QVariant(); } } QVariant OrbitalTableModel::headerData(int section, Qt::Orientation orientation, int role) const { if (role != Qt::DisplayRole) return QVariant(); if (orientation == Qt::Horizontal) { switch (Column(section)) { case C_Description: return tr("Orbital"); case C_Energy: return tr("Energy (eV)"); case C_Symmetry: return tr("Symmetry"); case C_Status: return tr("Status"); default: case COUNT: return QVariant(); } } else return QString::number(section + 1); } QModelIndex OrbitalTableModel::HOMO() const { for (int i = 0; i < m_orbitals.size(); i++) { if (m_orbitals.at(i)->description == tr("HOMO", "Highest Occupied MO")) return index(i, 0); } return QModelIndex(); } QModelIndex OrbitalTableModel::LUMO() const { for (int i = 0; i < m_orbitals.size(); i++) { if (m_orbitals.at(i)->description == tr("LUMO", "Lowest Unoccupied MO")) return index(i, 0); } return QModelIndex(); } // predicate for sorting below bool orbitalIndexLessThan(const Orbital* o1, const Orbital* o2) { return (o1->index < o2->index); } bool OrbitalTableModel::setOrbitals(const Core::BasisSet* basis) { clearOrbitals(); // assemble the orbital information // TODO: Alpha / Beta orbitals unsigned int homo = basis->homo(); unsigned int lumo = basis->lumo(); unsigned int count = homo - 1; bool leqHOMO = true; // orbital <= homo // energies and symmetries // TODO: handle both alpha and beta (separate columns?) // TODO: move moEnergies to the BasisSet class QList alphaEnergies; auto* gaussianBasis = dynamic_cast(basis); if (gaussianBasis != nullptr) { auto moEnergies = gaussianBasis->moEnergy(); alphaEnergies.reserve(moEnergies.size()); for (double energy : moEnergies) { alphaEnergies.push_back(energy); } } // not sure if any import supports symmetry labels yet const auto labels = basis->symmetryLabels(); QStringList alphaSymmetries; alphaSymmetries.reserve(labels.size()); for (const std::string label : labels) { alphaSymmetries.push_back(QString::fromStdString(label)); } for (int i = 0; i < basis->molecularOrbitalCount(); i++) { QString num = ""; if (i + 1 != homo && i + 1 != lumo) { num = (leqHOMO) ? "-" : "+"; num += QString::number(count); } QString desc = QString("%1") // (HOMO|LUMO)(+|-)[0-9]+ .arg((leqHOMO) ? tr("HOMO", "Highest Occupied MO") + num : tr("LUMO", "Lowest Unoccupied MO") + num); Orbital* orb = new Orbital; // Get the energy from the molecule property list, if available if (alphaEnergies.size() > i) orb->energy = alphaEnergies[i].toDouble(); else orb->energy = 0.0; // symmetries (if available) if (alphaSymmetries.size() > i) orb->symmetry = alphaSymmetries[i]; orb->index = i; orb->description = desc; orb->queueEntry = 0; orb->min = 0; orb->max = 0; orb->current = 0; m_orbitals.append(orb); if (i + 1 < homo) count--; else if (i + 1 == homo) leqHOMO = false; else if (i + 1 >= lumo) count++; } // sort the orbital list (not sure if this is necessary) std::sort(m_orbitals.begin(), m_orbitals.end(), orbitalIndexLessThan); // add the rows for all the new orbitals beginInsertRows(QModelIndex(), 0, m_orbitals.size() - 1); endInsertRows(); return true; } bool OrbitalTableModel::clearOrbitals() { if (m_orbitals.size() > 0) { beginRemoveRows(QModelIndex(), 0, m_orbitals.size() - 1); m_orbitals.clear(); endRemoveRows(); } return true; } void OrbitalTableModel::setOrbitalProgressRange(int orbital, int min, int max, int stage, int totalStages) { Orbital* orb = m_orbitals[orbital]; orb->min = min; orb->current = min; orb->max = max; orb->stage = stage; orb->totalStages = totalStages; // Update display QModelIndex status = index(orbital, int(C_Status), QModelIndex()); emit dataChanged(status, status); } void OrbitalTableModel::incrementStage(int orbital, int newmin, int newmax) { Orbital* orb = m_orbitals[orbital]; orb->stage++; orb->min = newmin; orb->current = newmin; orb->max = newmax; // Update display QModelIndex status = index(orbital, C_Status, QModelIndex()); emit dataChanged(status, status); } void OrbitalTableModel::setOrbitalProgressValue(int orbital, int currentValue) { Orbital* orb = m_orbitals[orbital]; orb->current = currentValue; // Update display QModelIndex status = index(orbital, C_Status, QModelIndex()); emit dataChanged(status, status); } void OrbitalTableModel::finishProgress(int orbital) { Orbital* orb = m_orbitals[orbital]; orb->stage = 1; orb->totalStages = 1; orb->min = 0; orb->current = 1; orb->max = 1; // Update display QModelIndex status = index(orbital, C_Status, QModelIndex()); emit dataChanged(status, status); } void OrbitalTableModel::resetProgress(int orbital) { Orbital* orb = m_orbitals[orbital]; orb->stage = 1; orb->totalStages = 1; orb->min = 0; orb->current = 0; orb->max = 0; // Update display QModelIndex status = index(orbital, C_Status, QModelIndex()); emit dataChanged(status, status); } void OrbitalTableModel::setProgressToZero(int orbital) { Orbital* orb = m_orbitals[orbital]; orb->stage = 1; orb->totalStages = 1; orb->min = 0; orb->current = 0; orb->max = 1; // Update display QModelIndex status = index(orbital, C_Status, QModelIndex()); emit dataChanged(status, status); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/surfaces/orbitaltablemodel.h000066400000000000000000000072161474375334400256520ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_ORBITALTABLEMODEL_H #define AVOGADRO_QTPLUGINS_ORBITALTABLEMODEL_H #include #include #include #include namespace Avogadro::Core { class BasisSet; } namespace Avogadro::QtPlugins { struct calcInfo; struct Orbital { double energy; int index; QString description; // (HOMO|LUMO)[(+|-)N] QString symmetry; // e.g., A1g (with subscripts) calcInfo* queueEntry; // Progress data: int min; int max; int current; int stage; int totalStages; }; // Allow progress bars to be embedded in the table class ProgressBarDelegate : public QStyledItemDelegate { Q_OBJECT public: ProgressBarDelegate(QObject* parent = 0) : QStyledItemDelegate(parent){}; QSize sizeHint(const QStyleOptionViewItem&, const QModelIndex&) const { return QSize(60, 30); }; void paint(QPainter* p, const QStyleOptionViewItem& o, const QModelIndex& ind) const { QStyleOptionProgressBar opt; // Call initFrom() which will set the style based on the parent // GRH: This is critical to get things right on Mac // otherwise the status bars always look disabled opt.initFrom(qobject_cast(this->parent())); opt.rect = o.rect; opt.minimum = 1; // percentage opt.maximum = 100; opt.textVisible = true; int percent = ind.model()->data(ind, Qt::DisplayRole).toInt(); opt.progress = percent; opt.text = QString("%1%").arg(QString::number(percent)); QApplication::style()->drawControl(QStyle::CE_ProgressBar, &opt, p); } }; // Used for sorting: class OrbitalSortingProxyModel : public QSortFilterProxyModel { Q_OBJECT public: OrbitalSortingProxyModel(QObject* parent = 0) : QSortFilterProxyModel(parent), m_HOMOFirst(false){}; bool isHOMOFirst() { return m_HOMOFirst; }; void HOMOFirst(bool b) { m_HOMOFirst = b; }; protected: // Compare orbital values bool lessThan(const QModelIndex& left, const QModelIndex& right) const { if (m_HOMOFirst) return left.row() < right.row(); else return left.row() > right.row(); } private: bool m_HOMOFirst; }; class OrbitalTableModel : public QAbstractTableModel { Q_OBJECT public: enum Column { C_Description = 0, C_Energy, C_Symmetry, C_Status, // also occupation (0/1/2) COUNT }; //! Constructor explicit OrbitalTableModel(QWidget* parent = 0); //! Deconstructor virtual ~OrbitalTableModel(); int rowCount(const QModelIndex&) const { return m_orbitals.size(); }; int columnCount(const QModelIndex&) const; QVariant data(const QModelIndex& index, int role = Qt::DisplayRole) const; QVariant headerData(int section, Qt::Orientation orientation, int role) const; QModelIndex HOMO() const; QModelIndex LUMO() const; bool setOrbitals(const Core::BasisSet* basis); bool clearOrbitals(); // Stages are used for multi-step processes, e.g. cube, posmesh, negmesh, etc void setOrbitalProgressRange(int orbital, int min, int max, int stage, int totalStages); void incrementStage(int orbital, int newmin, int newmax); void setOrbitalProgressValue(int orbital, int currentValue); void finishProgress(int orbital); void resetProgress(int orbital); void setProgressToZero(int orbital); private: QList m_orbitals; }; } // namespace Avogadro::QtPlugins #endif avogadrolibs-1.100.0/avogadro/qtplugins/surfaces/orbitalwidget.cpp000066400000000000000000000155461474375334400253650ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "orbitalwidget.h" #include "orbitaltablemodel.h" #include #include #include using Avogadro::QtGui::RichTextDelegate; namespace Avogadro::QtPlugins { OrbitalWidget::OrbitalWidget(QWidget* parent, Qt::WindowFlags f) : QWidget(parent, f), m_settings(0), m_quality(OQ_Low), m_isovalue(0.03), m_precalc_limit(true), m_precalc_range(10), m_tableModel(new OrbitalTableModel(this)), m_sortedTableModel(new OrbitalSortingProxyModel(this)) { ui.setupUi(this); setWindowTitle(tr("Molecular Orbitals")); m_sortedTableModel->setSourceModel(m_tableModel); ui.table->setModel(m_sortedTableModel); ui.table->horizontalHeader()->setSectionResizeMode( QHeaderView::ResizeToContents); ui.table->horizontalHeader()->setStretchLastSection(true); // ui.table->setItemDelegateForColumn(OrbitalTableModel::C_Status, // new ProgressBarDelegate(this)); ui.table->setItemDelegateForColumn(OrbitalTableModel::C_Symmetry, new RichTextDelegate(this)); // TODO: Support orbital symmetry labels ui.table->hideColumn(OrbitalTableModel::C_Symmetry); ui.table->setHorizontalScrollBarPolicy(Qt::ScrollBarAlwaysOff); connect( ui.table->selectionModel(), SIGNAL(selectionChanged(const QItemSelection&, const QItemSelection&)), this, SLOT(tableClicked(const QItemSelection&))); connect(ui.push_render, SIGNAL(clicked()), this, SLOT(renderClicked())); // TODO: Implement configure dialog ui.push_configure->setVisible(false); connect(ui.push_configure, SIGNAL(clicked()), this, SLOT(configureClicked())); readSettings(); } OrbitalWidget::~OrbitalWidget() { writeSettings(); } void OrbitalWidget::readSettings() { QSettings settings; settings.beginGroup("orbitals"); m_quality = OrbitalQuality(settings.value("defaultQuality", 1).toInt()); m_isovalue = settings.value("isoValue", 0.03).toDouble(); ui.combo_quality->setCurrentIndex( settings.value("selectedQuality", 1).toInt()); m_sortedTableModel->HOMOFirst(settings.value("HOMOFirst", false).toBool()); m_precalc_limit = settings.value("precalc/limit", true).toBool(); m_precalc_range = settings.value("precalc/range", 10).toInt(); settings.endGroup(); } void OrbitalWidget::writeSettings() { QSettings settings; settings.beginGroup("orbitals"); settings.setValue("defaultQuality", m_quality); settings.setValue("isoValue", m_isovalue); settings.setValue("selectedQuality", ui.combo_quality->currentIndex()); settings.setValue("HOMOFirst", m_sortedTableModel->isHOMOFirst()); settings.setValue("precalc/limit", m_precalc_limit); settings.setValue("precalc/range", m_precalc_range); settings.endGroup(); } void OrbitalWidget::reject() { hide(); } void OrbitalWidget::configureClicked() { /* if (!m_settings) { m_settings = new OrbitalSettingsDialog(this); } m_settings->setDefaultQuality(m_quality); m_settings->setIsoValue(m_isovalue); m_settings->setHOMOFirst(m_sortedTableModel->isHOMOFirst()); m_settings->setLimitPrecalc(m_precalc_limit); m_settings->setPrecalcRange(m_precalc_range); m_settings->show(); */ } void OrbitalWidget::fillTable(Core::BasisSet* basis) { if (basis == nullptr || m_tableModel == nullptr) { return; } // Populate the model m_tableModel->setOrbitals(basis); ui.table->horizontalHeader()->sectionResizeMode( QHeaderView::ResizeToContents); // Sort table m_sortedTableModel->sort(0, Qt::AscendingOrder); // // Find HOMO and scroll to it QModelIndex homo = m_tableModel->HOMO(); homo = m_sortedTableModel->mapFromSource(homo); // qDebug() << "HOMO at: " << homo.row(); ui.table->scrollTo(homo, QAbstractItemView::PositionAtCenter); } void OrbitalWidget::setQuality(OrbitalQuality q) { ui.combo_quality->setCurrentIndex(int(q)); } void OrbitalWidget::selectOrbital(unsigned int orbital) { QModelIndex start = m_tableModel->index(orbital - 1, 0, QModelIndex()); QModelIndex end = m_tableModel->index( orbital - 1, m_tableModel->columnCount(QModelIndex()) - 1, QModelIndex()); QItemSelection selection(start, end); selection = m_sortedTableModel->mapSelectionFromSource(selection); ui.table->selectionModel()->clear(); ui.table->selectionModel()->select(selection, QItemSelectionModel::SelectCurrent); } void OrbitalWidget::tableClicked(const QItemSelection& selected) { QItemSelection mappedSelected = m_sortedTableModel->mapSelectionToSource(selected); QModelIndexList selection = mappedSelected.indexes(); // Only one row can be selected at a time, so just check the row // of the first entry. if (selection.size() == 0) return; int orbital = selection.first().row() + 1; emit orbitalSelected(orbital); } void OrbitalWidget::renderClicked() { double quality = OrbitalQualityToDouble(ui.combo_quality->currentIndex()); QModelIndexList selection = ui.table->selectionModel()->selectedIndexes(); // Only one row can be selected at a time, so just check the row // of the first entry. if (selection.size() == 0) return; QModelIndex first = selection.first(); first = m_sortedTableModel->mapToSource(first); int orbital = first.row(); // renderRequested handles the +1 emit renderRequested(orbital, quality); } double OrbitalWidget::OrbitalQualityToDouble(OrbitalQuality q) { switch (q) { case OQ_VeryLow: return 0.5; case OQ_Low: return 0.35; case OQ_Medium: default: return 0.18; case OQ_High: return 0.10; case OQ_VeryHigh: return 0.05; } } void OrbitalWidget::setDefaults(OrbitalQuality q, double i, bool HOMOFirst) { m_quality = q; m_isovalue = i; m_sortedTableModel->HOMOFirst(HOMOFirst); m_sortedTableModel->sort(0, Qt::AscendingOrder); } void OrbitalWidget::setPrecalcSettings(bool limit, int range) { m_precalc_limit = limit; m_precalc_range = range; } void OrbitalWidget::initializeProgress(int orbital, int min, int max, int stage, int totalStages) { m_tableModel->setOrbitalProgressRange(orbital, min, max, stage, totalStages); } void OrbitalWidget::nextProgressStage(int orbital, int newmin, int newmax) { m_tableModel->incrementStage(orbital, newmin, newmax); } void OrbitalWidget::updateProgress(int orbital, int current) { m_tableModel->setOrbitalProgressValue(orbital, current); } void OrbitalWidget::calculationComplete(int orbital) { m_tableModel->finishProgress(orbital); } void OrbitalWidget::calculationQueued(int orbital) { m_tableModel->setProgressToZero(orbital); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/surfaces/orbitalwidget.h000066400000000000000000000047421474375334400250260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_ORBITALWIDGET_H #define AVOGADRO_QTPLUGINS_ORBITALWIDGET_H #include #include "orbitaltablemodel.h" #include "ui_orbitalwidget.h" namespace Avogadro::Core { class BasisSet; } namespace Avogadro::QtPlugins { class OrbitalSettingsDialog; class OrbitalTableModel; class OrbitalWidget : public QWidget { Q_OBJECT public: enum OrbitalQuality { OQ_VeryLow = 0, OQ_Low, OQ_Medium, OQ_High, OQ_VeryHigh }; //! Constructor explicit OrbitalWidget(QWidget* parent = nullptr, Qt::WindowFlags f = Qt::Widget); //! Deconstructor virtual ~OrbitalWidget(); double isovalue() { return m_isovalue; }; OrbitalQuality defaultQuality() { return m_quality; }; bool precalcLimit() { return m_precalc_limit; } int precalcRange() { return m_precalc_range; } static double OrbitalQualityToDouble(OrbitalQuality q); static double OrbitalQualityToDouble(int i) { return OrbitalQualityToDouble(OrbitalQuality(i)); }; public slots: void readSettings(); void writeSettings(); void reject(); void fillTable(Core::BasisSet* basis); void setQuality(OrbitalQuality q); void selectOrbital(unsigned int orbital); void setDefaults(OrbitalWidget::OrbitalQuality quality, double isovalue, bool HOMOFirst); void setPrecalcSettings(bool limit, int range); void initializeProgress(int orbital, int min, int max, int stage, int totalStages); void nextProgressStage(int orbital, int newmin, int newmax); void updateProgress(int orbital, int current); void calculationComplete(int orbital); void calculationQueued(int orbital); signals: void orbitalSelected(unsigned int orbital); void renderRequested(unsigned int orbital, double resolution); void calculateAll(); private slots: void tableClicked(const QItemSelection&); void renderClicked(); void configureClicked(); private: Ui::OrbitalWidget ui; OrbitalSettingsDialog* m_settings; OrbitalQuality m_quality; double m_isovalue; bool m_precalc_limit; int m_precalc_range; OrbitalTableModel* m_tableModel; OrbitalSortingProxyModel* m_sortedTableModel; }; } // namespace Avogadro::QtPlugins #endif avogadrolibs-1.100.0/avogadro/qtplugins/surfaces/orbitalwidget.ui000066400000000000000000000070661474375334400252160ustar00rootroot00000000000000 OrbitalWidget 0 0 366 696 0 0 Form 0 0 Qt::ScrollBarAlwaysOff QAbstractItemView::SingleSelection QAbstractItemView::SelectRows QAbstractItemView::ScrollPerItem true true true 0 0 Quality: 0 Very Low Low Medium High Very High Render Qt::Horizontal 40 20 Configure avogadrolibs-1.100.0/avogadro/qtplugins/surfaces/surfacedialog.cpp000066400000000000000000000233621474375334400253300ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "surfacedialog.h" #include "ui_surfacedialog.h" namespace Avogadro::QtPlugins { SurfaceDialog::SurfaceDialog(QWidget* parent_, Qt::WindowFlags f) : QDialog(parent_, f), m_ui(new Ui::SurfaceDialog), m_automaticResolution(true) { m_ui->setupUi(this); setupSteps(1); m_ui->orbitalCombo->setVisible(false); m_ui->spinCombo->setVisible(false); m_ui->recordButton->setVisible(false); // set the data for the default items m_ui->surfaceCombo->addItem(tr("Van der Waals"), Surfaces::Type::VanDerWaals); m_ui->surfaceCombo->addItem(tr("Solvent Accessible"), Surfaces::Type::SolventAccessible); m_ui->surfaceCombo->addItem(tr("Solvent Excluded"), Surfaces::Type::SolventExcluded); connect(m_ui->surfaceCombo, SIGNAL(currentIndexChanged(int)), SLOT(surfaceComboChanged(int))); connect(m_ui->propertyCombo, SIGNAL(currentIndexChanged(int)), SLOT(propertyComboChanged(int))); connect(m_ui->resolutionCombo, SIGNAL(currentIndexChanged(int)), SLOT(resolutionComboChanged(int))); connect(m_ui->smoothingCombo, SIGNAL(currentIndexChanged(int)), SLOT(smoothingComboChanged(int))); connect(m_ui->stepValue, SIGNAL(valueChanged(int)), SIGNAL(stepChanged(int))); connect(m_ui->calculateButton, SIGNAL(clicked()), SLOT(calculateClicked())); connect(m_ui->recordButton, SIGNAL(clicked()), SLOT(record())); } SurfaceDialog::~SurfaceDialog() { delete m_ui; } void SurfaceDialog::surfaceComboChanged(int n) { int type = m_ui->surfaceCombo->itemData(n).toInt(); if (type == Surfaces::Type::MolecularOrbital || type == Surfaces::Type::FromFile) { m_ui->orbitalCombo->setEnabled(true); m_ui->propertyCombo->setEnabled(false); m_ui->propertyCombo->setCurrentIndex(0); // None m_ui->colormapCombo->setEnabled(false); } else { m_ui->orbitalCombo->setEnabled(false); m_ui->propertyCombo->setEnabled(true); } } void SurfaceDialog::propertyComboChanged(int n) { switch (n) { case 0: // None m_ui->colormapCombo->setEnabled(false); m_ui->modelCombo->setEnabled(false); m_ui->modelCombo->clear(); break; case 1: // Electrostatic Potential m_ui->colormapCombo->setEnabled(true); m_ui->modelCombo->setEnabled(true); for (const auto& model : m_chargeModels) m_ui->modelCombo->addItem(model.first.c_str(), model.second.c_str()); } } void SurfaceDialog::resolutionComboChanged(int n) { m_automaticResolution = false; // resolutions are in Angstrom switch (n) { case 0: // Very low resolution m_ui->resolutionDoubleSpinBox->setValue(0.5); m_ui->resolutionDoubleSpinBox->setEnabled(false); break; case 1: // Low resolution m_ui->resolutionDoubleSpinBox->setValue(0.35); m_ui->resolutionDoubleSpinBox->setEnabled(false); break; case 2: // Medium resolution m_ui->resolutionDoubleSpinBox->setValue(0.18); m_ui->resolutionDoubleSpinBox->setEnabled(false); break; case 3: // High resolution m_ui->resolutionDoubleSpinBox->setValue(0.1); m_ui->resolutionDoubleSpinBox->setEnabled(false); break; case 4: // Very high resolution m_ui->resolutionDoubleSpinBox->setValue(0.05); m_ui->resolutionDoubleSpinBox->setEnabled(false); break; case 5: // Automatic resolution m_automaticResolution = true; m_ui->resolutionDoubleSpinBox->setEnabled(false); break; case 6: // Custom resolution m_ui->resolutionDoubleSpinBox->setValue(0.18); m_ui->resolutionDoubleSpinBox->setEnabled(true); break; default: m_ui->resolutionDoubleSpinBox->setValue(0.18); m_ui->resolutionDoubleSpinBox->setEnabled(false); break; } } void SurfaceDialog::smoothingComboChanged(int n) { switch (n) { case 0: // No smoothing m_ui->smoothingPassesSpinBox->setValue(0); m_ui->smoothingPassesSpinBox->setEnabled(false); break; case 2: // Medium smoothing m_ui->smoothingPassesSpinBox->setValue(5); m_ui->smoothingPassesSpinBox->setEnabled(false); break; case 3: // Strong smoothing m_ui->smoothingPassesSpinBox->setValue(9); m_ui->smoothingPassesSpinBox->setEnabled(false); break; case 4: // Custom smoothing m_ui->smoothingPassesSpinBox->setValue(5); m_ui->smoothingPassesSpinBox->setEnabled(true); break; case 1: // Light smoothing default: m_ui->smoothingPassesSpinBox->setValue(1); m_ui->smoothingPassesSpinBox->setEnabled(false); break; } } void SurfaceDialog::setupBasis(int numElectrons, int numMOs, bool beta) { // only if we have electrons if (numMOs < 1) return; m_ui->orbitalCombo->setVisible(true); auto n = m_ui->surfaceCombo->currentIndex(); int type = m_ui->surfaceCombo->itemData(n).toInt(); if (type == Surfaces::Type::MolecularOrbital || type == Surfaces::Type::FromFile) m_ui->orbitalCombo->setEnabled(true); else m_ui->orbitalCombo->setEnabled(false); if (m_ui->surfaceCombo->findData(Surfaces::Type::MolecularOrbital) == -1) m_ui->surfaceCombo->addItem(tr("Molecular Orbital"), Surfaces::Type::MolecularOrbital); if (m_ui->surfaceCombo->findData(Surfaces::Type::ElectronDensity) == -1) m_ui->surfaceCombo->addItem(tr("Electron Density"), Surfaces::Type::ElectronDensity); if (beta) { m_ui->spinCombo->setVisible(true); m_ui->spinCombo->setEnabled(true); if (m_ui->surfaceCombo->findData(Surfaces::Type::SpinDensity) == -1) m_ui->surfaceCombo->addItem(tr("Spin Density"), Surfaces::Type::SpinDensity); } else { auto pos = m_ui->surfaceCombo->findData(Surfaces::Type::SpinDensity); if (pos != -1) m_ui->surfaceCombo->removeItem(pos); } // TODO: get this from the basis information QString text; m_ui->orbitalCombo->clear(); for (int i = 1; i <= numMOs; ++i) { text = tr("MO %L1", "Molecular orbital").arg(i); if (i == numElectrons / 2) text += ' ' + tr("(HOMO)", "Highest occupied molecular orbital"); if (i == numElectrons / 2 + 1) text += ' ' + tr("(LUMO)", "Lowest unoccupied molecular orbital"); m_ui->orbitalCombo->addItem(text); } m_ui->orbitalCombo->setCurrentIndex(numElectrons / 2); } void SurfaceDialog::setupCubes(QStringList cubeNames) { if (cubeNames.size() < 1) return; m_ui->orbitalCombo->setVisible(true); m_ui->orbitalCombo->setEnabled(true); m_ui->surfaceCombo->addItem(tr("From File"), Surfaces::Type::FromFile); for (int i = 0; i < cubeNames.size(); ++i) { m_ui->orbitalCombo->addItem(cubeNames[i]); } m_ui->orbitalCombo->setCurrentIndex(0); } void SurfaceDialog::setupSteps(int stepCount) { if (stepCount < 2) { m_ui->frameLabel->hide(); m_ui->stepValue->setEnabled(false); m_ui->stepValue->hide(); m_ui->recordButton->setEnabled(false); m_ui->recordButton->hide(); m_ui->vcrBack->setEnabled(false); m_ui->vcrBack->hide(); m_ui->vcrPlay->setEnabled(false); m_ui->vcrPlay->hide(); m_ui->vcrForward->setEnabled(false); m_ui->vcrForward->hide(); } else { m_ui->frameLabel->show(); m_ui->stepValue->setEnabled(true); m_ui->stepValue->setRange(1, stepCount); m_ui->stepValue->setSuffix(tr(" of %0").arg(stepCount)); m_ui->stepValue->show(); m_ui->recordButton->setEnabled(true); m_ui->recordButton->show(); /* Disable for now, this would be nice in future. m_ui->vcrBack->setEnabled(true); m_ui->vcrBack->setVisible(true); m_ui->vcrPlay->setEnabled(true); m_ui->vcrPlay->setVisible(true); m_ui->vcrForward->setEnabled(true); m_ui->vcrForward->setVisible(true); */ } } void SurfaceDialog::setupModels( const std::set>& chargeModels) { m_chargeModels = chargeModels; } Surfaces::Type SurfaceDialog::surfaceType() { return static_cast(m_ui->surfaceCombo->currentData().toInt()); } Surfaces::ColorProperty SurfaceDialog::colorProperty() { return static_cast( m_ui->propertyCombo->currentIndex()); } QString SurfaceDialog::colorModel() { return m_ui->modelCombo->currentData().toString(); } QString SurfaceDialog::colormapName() { return m_ui->colormapCombo->currentText(); } int SurfaceDialog::surfaceIndex() { return m_ui->orbitalCombo->currentIndex(); } bool SurfaceDialog::beta() { return m_ui->spinCombo->currentIndex() == 1; } float SurfaceDialog::isosurfaceValue() { return static_cast(m_ui->isosurfaceDoubleSpinBox->value()); } int SurfaceDialog::smoothingPassesValue() { return static_cast(m_ui->smoothingPassesSpinBox->value()); } float SurfaceDialog::resolution() { return static_cast(m_ui->resolutionDoubleSpinBox->value()); } bool SurfaceDialog::automaticResolution() { return m_automaticResolution; } int SurfaceDialog::step() { return m_ui->stepValue->value(); } void SurfaceDialog::setStep(int step) { m_ui->stepValue->setValue(step); } void SurfaceDialog::calculateClicked() { m_ui->calculateButton->setEnabled(false); emit calculateClickedSignal(); } void SurfaceDialog::reenableCalculateButton() { m_ui->calculateButton->setEnabled(true); } void SurfaceDialog::record() { m_ui->calculateButton->setEnabled(false); m_ui->recordButton->setEnabled(false); emit recordClicked(); } void SurfaceDialog::enableRecord() { m_ui->calculateButton->setEnabled(true); m_ui->recordButton->setEnabled(true); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/surfaces/surfacedialog.h000066400000000000000000000043471474375334400247770ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SURFACEDIALOG_H #define AVOGADRO_QTPLUGINS_SURFACEDIALOG_H #include #include #include #include "surfaces.h" // for the enum namespace Ui { class SurfaceDialog; } namespace Avogadro { namespace QtPlugins { /** * @brief The SurfaceDialog presents various properties that have been read in * from a quantum output file and provides interface to initiate calculations. */ class SurfaceDialog : public QDialog { Q_OBJECT public: explicit SurfaceDialog(QWidget* parent = nullptr, Qt::WindowFlags f = Qt::WindowFlags()); ~SurfaceDialog() override; void setupBasis(int numElectrons, int numMOs, bool beta); void setupCubes(QStringList cubeNames); void setupSteps(int stepCount); void setupModels( const std::set> &chargeModels ); void reenableCalculateButton(); void enableRecord(); Surfaces::Type surfaceType(); Surfaces::ColorProperty colorProperty(); QString colorModel(); QString colormapName(); /** * This holds the value of the molecular orbital at present. */ int surfaceIndex(); /** * Only relevant for electronic structure, was the beta orbital selected? */ bool beta(); float isosurfaceValue(); int smoothingPassesValue(); float resolution(); bool automaticResolution(); int step(); void setStep(int step); public slots: protected slots: void surfaceComboChanged(int n); void propertyComboChanged(int n); void resolutionComboChanged(int n); void smoothingComboChanged(int n); void calculateClicked(); void record(); signals: void stepChanged(int n); void calculateClickedSignal(); void recordClicked(); private: Ui::SurfaceDialog* m_ui; bool m_automaticResolution; std::set> m_chargeModels; }; } // End namespace QtPlugins } // End namespace Avogadro #endif // AVOGADRO_QTPLUGINS_SURFACEDIALOG_H avogadrolibs-1.100.0/avogadro/qtplugins/surfaces/surfacedialog.ui000066400000000000000000000367471474375334400251760ustar00rootroot00000000000000 SurfaceDialog Qt::NonModal true 0 0 443 354 Qt::DefaultContextMenu Create Surfaces false Surface: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter true false false alpha beta Qt::Horizontal 40 20 Color by: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter None Electrostatic Potential false Qt::Horizontal 40 20 Colormap: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter false Balance Blue-DarkRed Coolwarm Spectral Turbo Qt::Horizontal 40 20 Resolution: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter true Automatic 5 Very Low Low Medium High Very High Automatic Custom false Å 0.010000000000000 2.000000000000000 0.100000000000000 0.180000000000000 Qt::Horizontal 40 20 Isosurface Value: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter 4 0.000100000000000 0.999000000000000 0.001000000000000 0.030000000000000 Qt::Horizontal 40 20 Smoothing: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter true Light 1 None Light Medium Strong Custom false 0 19 1 1 Qt::Horizontal 40 20 Frame: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter false false .. false .. false .. Qt::Horizontal 40 20 true Calculate true false Record Movie… true QDialogButtonBox::Close Qt::Vertical 20 40 buttonBox clicked(QAbstractButton*) SurfaceDialog close() 307 174 257 106 avogadrolibs-1.100.0/avogadro/qtplugins/surfaces/surfaces.cpp000066400000000000000000001013151474375334400243260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "surfaces.h" #include "surfacedialog.h" // Header only, but duplicate symbols if included globally... namespace { #include } #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include using namespace tinycolormap; namespace Avogadro::QtPlugins { using Core::Array; using Core::Cube; using Core::GaussianSet; using Core::NeighborPerceiver; using QtGui::GaussianSetConcurrent; using QtGui::Molecule; using QtGui::SlaterSetConcurrent; class Surfaces::PIMPL { public: GifWriter* gifWriter = nullptr; gwavi_t* gwaviWriter = nullptr; }; Surfaces::Surfaces(QObject* p) : ExtensionPlugin(p), d(new PIMPL()) { auto action = new QAction(this); action->setText(tr("Create Surfaces…")); connect(action, SIGNAL(triggered()), SLOT(surfacesActivated())); connect(&m_displayMeshWatcher, SIGNAL(finished()), SLOT(displayMesh())); connect(&m_performEDTStepWatcher, SIGNAL(finished()), SLOT(performEDTStep())); m_actions.push_back(action); // Register quantum file formats Io::FileFormatManager::registerFormat(new QuantumIO::GAMESSUSOutput); Io::FileFormatManager::registerFormat(new QuantumIO::GaussianFchk); Io::FileFormatManager::registerFormat(new QuantumIO::GaussianCube); Io::FileFormatManager::registerFormat(new QuantumIO::GenericOutput); Io::FileFormatManager::registerFormat(new QuantumIO::MoldenFile); Io::FileFormatManager::registerFormat(new QuantumIO::MopacAux); Io::FileFormatManager::registerFormat(new QuantumIO::NWChemJson); Io::FileFormatManager::registerFormat(new QuantumIO::NWChemLog); Io::FileFormatManager::registerFormat(new QuantumIO::ORCAOutput); } Surfaces::~Surfaces() { delete d; // delete m_cube; // should be freed by the molecule } void Surfaces::registerCommands() { // register some scripting commands emit registerCommand("renderVDW", tr("Render the van der Waals surface.")); emit registerCommand("renderVanDerWaals", tr("Render the van der Waals molecular surface.")); emit registerCommand("renderSolventAccessible", tr("Render the solvent-accessible molecular surface.")); emit registerCommand("renderSolventExcluded", tr("Render the solvent-excluded molecular surface.")); emit registerCommand("renderOrbital", tr("Render a molecular orbital.")); emit registerCommand("renderMO", tr("Render a molecular orbital.")); emit registerCommand("renderElectronDensity", tr("Render the electron density.")); emit registerCommand("renderSpinDensity", tr("Render the spin density.")); emit registerCommand("renderCube", tr("Render a cube supplied with the file.")); } bool Surfaces::handleCommand(const QString& command, const QVariantMap& options) { if (m_molecule == nullptr) return false; // No molecule to handle the command. // Set up some defaults for the options. int index = -1; int homo = -1; float isoValue = 0.03; float cubeResolution = resolution(); // use default resolution if (options.contains("resolution") && options["resolution"].canConvert()) { bool ok; float res = options["resolution"].toFloat(&ok); if (ok) cubeResolution = res; } if (options.contains("isovalue") && options["isovalue"].canConvert()) { bool ok; float iso = options["isovalue"].toFloat(&ok); if (ok) isoValue = iso; } if (m_basis != nullptr) homo = m_basis->homo(); if (options.contains("orbital")) { // check if options contains "homo" or "lumo" bool ok = false; if (options["orbital"].canConvert()) { // internally, we count orbitals from zero // if the conversion worked, ok = true // and we'll skip the next conditional index = options.value("orbital").toInt(&ok) - 1; } if (!ok && options["orbital"].canConvert()) { // should be something like "homo-1" or "lumo+2" QString name = options["orbital"].toString(); QString expression, modifier; if (name.contains("homo", Qt::CaseInsensitive)) { index = homo; // modified by the expression after the string expression = name.remove("homo", Qt::CaseInsensitive); } else if (name.contains("lumo", Qt::CaseInsensitive)) { index = homo + 1; // again modified by the expression expression = name.remove("lumo", Qt::CaseInsensitive); } // modify HOMO / LUMO based on "+ number" or "- number" if (expression.contains('-')) { modifier = expression.remove('-'); bool ok; int n = modifier.toInt(&ok); if (ok) index = index - n; } else if (expression.contains('+')) { modifier = expression.remove('+'); bool ok; int n = modifier.toInt(&ok); if (ok) index = index + n; } index = index - 1; // start from zero } } bool beta = false; if (options.contains("spin")) { beta = options["spin"].toString().contains("beta"); } if ((command.compare("renderVanDerWaals", Qt::CaseInsensitive) == 0) || (command.compare("renderVDW", Qt::CaseInsensitive) == 0)) { calculateEDT(VanDerWaals, cubeResolution); return true; } else if (command.compare("renderSolventAccessible", Qt::CaseInsensitive) == 0) { calculateEDT(SolventAccessible, cubeResolution); return true; } else if (command.compare("renderSolventExcluded", Qt::CaseInsensitive) == 0) { calculateEDT(SolventExcluded, cubeResolution); return true; } else if ((command.compare("renderOrbital", Qt::CaseInsensitive) == 0) || (command.compare("renderMO", Qt::CaseInsensitive) == 0)) { calculateQM(MolecularOrbital, index, beta, isoValue, cubeResolution); return true; } else if (command.compare("renderElectronDensity", Qt::CaseInsensitive) == 0) { calculateQM(ElectronDensity, index, beta, isoValue, cubeResolution); return true; } else if (command.compare("renderSpinDensity", Qt::CaseInsensitive) == 0) { calculateQM(SpinDensity, index, beta, isoValue, cubeResolution); return true; } return false; } void Surfaces::setMolecule(QtGui::Molecule* mol) { if (m_molecule != nullptr) { m_molecule->disconnect(this); } if (mol->basisSet()) { m_basis = mol->basisSet(); } else if (mol->cubes().size() != 0) { m_cubes = mol->cubes(); } m_cube = nullptr; m_mesh1 = nullptr; m_mesh2 = nullptr; m_molecule = mol; if (m_molecule != nullptr) { connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint))); } } void Surfaces::moleculeChanged(unsigned int changes) { if (changes & Molecule::Added || changes & Molecule::Removed) { m_cubes = m_molecule->cubes(); m_basis = m_molecule->basisSet(); } } QList Surfaces::actions() const { return m_actions; } QStringList Surfaces::menuPath(QAction*) const { QStringList path; path << tr("&Analysis"); return path; } void Surfaces::surfacesActivated() { if (!m_dialog) { m_dialog = new SurfaceDialog(qobject_cast(parent())); connect(m_dialog, SIGNAL(calculateClickedSignal()), SLOT(calculateSurface())); connect(m_dialog, SIGNAL(recordClicked()), SLOT(recordMovie())); connect(m_dialog, SIGNAL(stepChanged(int)), SLOT(stepChanged(int))); } if (m_basis) { // we have quantum data, set up the dialog accordingly auto gaussian = dynamic_cast(m_basis); bool beta = false; if (gaussian) { auto b = gaussian->moMatrix(GaussianSet::Beta); if (b.rows() > 0 && b.cols() > 0) beta = true; } m_dialog->setupBasis(m_basis->electronCount(), m_basis->molecularOrbitalCount(), beta); } // only show cubes from files so we don't duplicate orbitals if (m_cubes.size() > 0) { QStringList cubeNames; for (auto* cube : m_cubes) { if (cube->cubeType() == Core::Cube::Type::FromFile) cubeNames << cube->name().c_str(); } m_dialog->setupCubes(cubeNames); } m_dialog->setupSteps(m_molecule->coordinate3dCount()); const auto identifiers = Calc::ChargeManager::instance().identifiersForMolecule(*m_molecule); std::set> chargeModels; for (const auto& identifier : identifiers) chargeModels.emplace( Calc::ChargeManager::instance().nameForModel(identifier), identifier); m_dialog->setupModels(chargeModels); m_dialog->show(); } float Surfaces::resolution(float specified) { if (specified != 0.0) return specified; if (m_dialog != nullptr && !m_dialog->automaticResolution()) return m_dialog->resolution(); float r = 0.02 * powf(m_molecule->atomCount(), 1.0f / 3.0f); float minimum = 0.05; float maximum = 0.5; if (m_dialog != nullptr) { switch (m_dialog->surfaceType()) { case SolventExcluded: minimum = 0.1; break; default:; } } r = std::max(minimum, std::min(maximum, r)); return r; } void Surfaces::calculateSurface() { if (!m_dialog) return; Type type = m_dialog->surfaceType(); if (!m_cube) m_cube = m_molecule->addCube(); // TODO we should add a name, type, etc. switch (type) { case VanDerWaals: case SolventAccessible: case SolventExcluded: calculateEDT(); break; case ElectronDensity: case MolecularOrbital: case ElectrostaticPotential: case SpinDensity: calculateQM(); break; case FromFile: default: calculateCube(); break; } } float inline square(float x) { return x * x; } void Surfaces::calculateEDT(Type type, float defaultResolution) { if (type == Unknown && m_dialog != nullptr) type = m_dialog->surfaceType(); if (!m_cube) m_cube = m_molecule->addCube(); QFuture future = QtConcurrent::run([=]() { double probeRadius = 0.0; switch (type) { case VanDerWaals: m_cube->setCubeType(Core::Cube::Type::VdW); break; case SolventAccessible: m_cube->setCubeType(Core::Cube::Type::SolventAccessible); case SolventExcluded: probeRadius = 1.4; m_cube->setCubeType(Core::Cube::Type::SolventExcluded); break; default: break; } // first, make a list of all atom positions and radii Array atomPositions = m_molecule->atomPositions3d(); auto* atoms = new std::vector>(); double max_radius = probeRadius; QtGui::RWLayerManager layerManager; for (size_t i = 0; i < m_molecule->atomCount(); i++) { if (!layerManager.visible(m_molecule->layer(i))) continue; // ignore invisible atoms auto radius = Core::Elements::radiusVDW(m_molecule->atomicNumber(i)) + probeRadius; atoms->emplace_back(atomPositions[i], radius); if (radius > max_radius) max_radius = radius; } double padding = max_radius + probeRadius; m_cube->setLimits(*m_molecule, resolution(defaultResolution), padding); m_cube->fill(-1.0); const float res = resolution(defaultResolution); const Vector3 min = m_cube->min(); // then, for each atom, set cubes around it up to a certain radius QFuture innerFuture = QtConcurrent::map(*atoms, [=](std::pair& in) { double startPosX = in.first(0) - in.second; double endPosX = in.first(0) + in.second; int startIndexX = (startPosX - min(0)) / res; int endIndexX = (endPosX - min(0)) / res + 1; for (int indexX = startIndexX; indexX < endIndexX; indexX++) { double posX = indexX * res + min(0); double radiusXsq = square(in.second) - square(posX - in.first(0)); if (radiusXsq < 0.0) continue; double radiusX = sqrt(radiusXsq); double startPosY = in.first(1) - radiusX; double endPosY = in.first(1) + radiusX; int startIndexY = (startPosY - min(1)) / res; int endIndexY = (endPosY - min(1)) / res + 1; for (int indexY = startIndexY; indexY < endIndexY; indexY++) { double posY = indexY * res + min(1); double lengthXYsq = square(radiusX) - square(posY - in.first(1)); if (lengthXYsq < 0.0) continue; double lengthXY = sqrt(lengthXYsq); double startPosZ = in.first(2) - lengthXY; double endPosZ = in.first(2) + lengthXY; int startIndexZ = (startPosZ - min(2)) / res; int endIndexZ = (endPosZ - min(2)) / res + 1; m_cube->fillStripe(indexX, indexY, startIndexZ, endIndexZ - 1, 1.0f); } } }); innerFuture.waitForFinished(); }); // SolventExcluded requires an extra pass if (type == SolventExcluded) { m_performEDTStepWatcher.setFuture(future); } else { m_displayMeshWatcher.setFuture(future); } } void Surfaces::performEDTStep() { QFuture future = QtConcurrent::run([=]() { const double probeRadius = 1.4; const double scaledProbeRadius = probeRadius / resolution(); // make a list of all "outside" cubes in contact with an "inside" cube // these are the only ones that can be "nearest" to an "inside" cube Array relativePositions; // also make a list of all "inside" cubes auto* insideIndices = new std::vector; Vector3i size = m_cube->dimensions(); relativePositions.reserve(size(0) * size(1) * 4); // O(n^2) insideIndices->reserve(size(0) * size(1) * size(2)); // O(n^3) for (int z = 0; z < size(2); z++) { int zp = std::max(z - 1, 0); int zn = std::min(z + 1, size(2) - 1); for (int y = 0; y < size(1); y++) { int yp = std::max(y - 1, 0); int yn = std::min(y + 1, size(1) - 1); for (int x = 0; x < size(0); x++) { if (m_cube->value(x, y, z) > 0.0) { insideIndices->emplace_back(x, y, z); continue; } int xp = std::max(x - 1, 0); int xn = std::min(x + 1, size(0) - 1); if (m_cube->value(xp, y, z) > 0.0 || m_cube->value(xn, y, z) > 0.0 || m_cube->value(x, yp, z) > 0.0 || m_cube->value(x, yn, z) > 0.0 || m_cube->value(x, y, zp) > 0.0 || m_cube->value(x, y, zn) > 0.0) { relativePositions.push_back(Vector3(x, y, z)); } } } } // pass the list to a NeighborPerceiver so it's faster to look up NeighborPerceiver perceiver(relativePositions, scaledProbeRadius); // now, exclude all "inside" cubes too close to any "outside" cube thread_local Array* neighbors = nullptr; QFuture innerFuture = QtConcurrent::map(*insideIndices, [=](Vector3i& in) { Vector3 pos = in.cast(); if (neighbors == nullptr) neighbors = new Array; perceiver.getNeighborsInclusiveInPlace(*neighbors, pos); for (Index neighbor : *neighbors) { const Vector3& npos = relativePositions[neighbor]; float distance = (npos - pos).norm(); if (distance <= scaledProbeRadius) { m_cube->setValue(in(0), in(1), in(2), -1.0f); break; } } }); innerFuture.waitForFinished(); }); m_displayMeshWatcher.setFuture(future); } void Surfaces::calculateQM(Type type, int index, bool beta, float isoValue, float defaultResolution) { if (!m_basis) return; // nothing to do if (m_dialog != nullptr) { beta = m_dialog->beta(); // we're using the GUI } // TODO: check if we already calculated the requested cube // Reset state a little more frequently, minimal cost, avoid bugs. m_molecule->clearCubes(); m_molecule->clearMeshes(); m_cube = nullptr; m_mesh1 = nullptr; m_mesh2 = nullptr; m_molecule->emitChanged(Molecule::Atoms | Molecule::Added); bool connectSlots = false; // set up QtConcurrent calculators for Gaussian or Slater basis sets if (dynamic_cast(m_basis)) { if (!m_gaussianConcurrent) { m_gaussianConcurrent = new GaussianSetConcurrent(this); connectSlots = true; } m_gaussianConcurrent->setMolecule(m_molecule); } else { if (!m_slaterConcurrent) { m_slaterConcurrent = new SlaterSetConcurrent(this); connectSlots = true; } m_slaterConcurrent->setMolecule(m_molecule); } // TODO: Check to see if this cube or surface has already been computed if (!m_progressDialog) { m_progressDialog = new QProgressDialog(qobject_cast(parent())); m_progressDialog->setWindowModality(Qt::NonModal); connectSlots = true; } if (!m_cube) m_cube = m_molecule->addCube(); if (type == Unknown) type = m_dialog->surfaceType(); if (index == -1 && m_dialog != nullptr) index = m_dialog->surfaceIndex(); if (isoValue == 0.0 && m_dialog != nullptr) m_isoValue = m_dialog->isosurfaceValue(); else m_isoValue = isoValue; float cubeResolution = resolution(defaultResolution); float padding = 5.0; // TODO: allow extra padding for some molecules / properties m_cube->setLimits(*m_molecule, cubeResolution, padding); QString progressText; if (type == ElectronDensity) { progressText = tr("Calculating electron density"); m_cube->setName("Electron Density"); m_cube->setCubeType(Core::Cube::Type::ElectronDensity); if (dynamic_cast(m_basis)) { m_gaussianConcurrent->calculateElectronDensity(m_cube); } else { m_slaterConcurrent->calculateElectronDensity(m_cube); } } else if (type == SpinDensity) { progressText = tr("Calculating spin density"); m_cube->setName("Spin Density"); m_cube->setCubeType(Core::Cube::Type::SpinDensity); if (dynamic_cast(m_basis)) { m_gaussianConcurrent->calculateSpinDensity(m_cube); } else { m_slaterConcurrent->calculateSpinDensity(m_cube); } } else if (type == MolecularOrbital) { progressText = tr("Calculating molecular orbital %L1").arg(index); m_cube->setName("Molecular Orbital " + std::to_string(index + 1)); m_cube->setCubeType(Core::Cube::Type::MO); if (dynamic_cast(m_basis)) { m_gaussianConcurrent->calculateMolecularOrbital(m_cube, index, beta); } else { m_slaterConcurrent->calculateMolecularOrbital(m_cube, index); } } // Set up the progress dialog. if (dynamic_cast(m_basis)) { m_progressDialog->setWindowTitle(progressText); m_progressDialog->setRange( m_gaussianConcurrent->watcher().progressMinimum(), m_gaussianConcurrent->watcher().progressMaximum()); m_progressDialog->setValue(m_gaussianConcurrent->watcher().progressValue()); m_progressDialog->show(); if (connectSlots) { connect(&m_gaussianConcurrent->watcher(), SIGNAL(progressValueChanged(int)), m_progressDialog, SLOT(setValue(int))); connect(&m_gaussianConcurrent->watcher(), SIGNAL(progressRangeChanged(int, int)), m_progressDialog, SLOT(setRange(int, int))); connect(m_gaussianConcurrent, SIGNAL(finished()), SLOT(displayMesh())); connect(m_progressDialog, SIGNAL(canceled()), &m_gaussianConcurrent->watcher(), SLOT(cancel())); } } else { // slaters m_progressDialog->setWindowTitle(progressText); m_progressDialog->setRange(m_slaterConcurrent->watcher().progressMinimum(), m_slaterConcurrent->watcher().progressMaximum()); m_progressDialog->setValue(m_slaterConcurrent->watcher().progressValue()); m_progressDialog->show(); connect(&m_slaterConcurrent->watcher(), SIGNAL(progressValueChanged(int)), m_progressDialog, SLOT(setValue(int))); connect(&m_slaterConcurrent->watcher(), SIGNAL(progressRangeChanged(int, int)), m_progressDialog, SLOT(setRange(int, int))); connect(m_progressDialog, SIGNAL(canceled()), &m_slaterConcurrent->watcher(), SLOT(cancel())); connect(m_slaterConcurrent, SIGNAL(finished()), SLOT(displayMesh())); } } void Surfaces::calculateCube(int index, float isoValue) { if (m_cubes.size() == 0) return; if (index == -1 && m_dialog != nullptr) index = m_dialog->surfaceIndex(); if (index < 0 || index >= static_cast(m_cubes.size())) return; // check bounds m_cube = m_cubes[index]; if (m_cube == nullptr) return; if (isoValue == 0.0 && m_dialog != nullptr) m_isoValue = m_dialog->isosurfaceValue(); else m_isoValue = isoValue; displayMesh(); } void Surfaces::stepChanged(int n) { if (!m_molecule || !m_basis) return; qDebug() << "\n\t==== Step changed to" << n << "===="; auto g = dynamic_cast(m_basis); if (g) { g->setActiveSetStep(n - 1); m_molecule->clearCubes(); m_molecule->clearMeshes(); m_cube = nullptr; m_mesh1 = nullptr; m_mesh2 = nullptr; m_molecule->emitChanged(Molecule::Atoms | Molecule::Added); } } void Surfaces::displayMesh() { if (!m_cube) return; if (m_dialog != nullptr) m_smoothingPasses = m_dialog->smoothingPassesValue(); else m_smoothingPasses = 0; if (!m_mesh1) m_mesh1 = m_molecule->addMesh(); if (!m_meshGenerator1) { m_meshGenerator1 = new QtGui::MeshGenerator; connect(m_meshGenerator1, SIGNAL(finished()), SLOT(meshFinished())); } m_meshGenerator1->initialize(m_cube, m_mesh1, m_isoValue, m_smoothingPasses); bool isMO = false; // if it's from a file we should "play it safe" if (m_cube->cubeType() == Cube::Type::MO || m_cube->cubeType() == Cube::Type::FromFile) { isMO = true; } if (isMO) { if (!m_mesh2) m_mesh2 = m_molecule->addMesh(); if (!m_meshGenerator2) { m_meshGenerator2 = new QtGui::MeshGenerator; connect(m_meshGenerator2, SIGNAL(finished()), SLOT(meshFinished())); } m_meshGenerator2->initialize(m_cube, m_mesh2, -m_isoValue, m_smoothingPasses, true); } // Start the mesh generation - this needs an improved mutex with a read lock // to function as expected. Write locks are exclusive, read locks can have // many read locks but no write lock. m_meshGenerator1->start(); if (isMO) m_meshGenerator2->start(); // Track how many meshes are left to show. if (isMO) m_meshesLeft = 2; else m_meshesLeft = 1; } Core::Color3f Surfaces::chargeGradient(double value, double clamp, ColormapType colormap) const { // okay, typically color scales have blue at the bottom, red at the top. // so we need to invert, so blue is positive charge, red is negative charge. // we also need to scale the color to the range of the charge. double scaledValue = value / clamp; // from -1 to 1.0 double scaledValue2 = 1.0 - ((scaledValue + 1.0) / 2.0); // from 0 to 1.0 red to blue auto color = tinycolormap::GetColor(scaledValue2, colormap); Core::Color3f r(float(color.r()), color.g(), color.b()); return r; } ColormapType Surfaces::getColormapFromString(const QString& name) const { // Just do all of them, even though we won't use them all if (name == tr("Parula", "colormap")) return ColormapType::Parula; else if (name == tr("Heat", "colormap")) return ColormapType::Heat; else if (name == tr("Hot", "colormap")) return ColormapType::Hot; else if (name == tr("Gray", "colormap")) return ColormapType::Gray; else if (name == tr("Magma", "colormap")) return ColormapType::Magma; else if (name == tr("Inferno", "colormap")) return ColormapType::Inferno; else if (name == tr("Plasma", "colormap")) return ColormapType::Plasma; else if (name == tr("Viridis", "colormap")) return ColormapType::Viridis; else if (name == tr("Cividis", "colormap")) return ColormapType::Cividis; else if (name == tr("Spectral", "colormap")) return ColormapType::Spectral; else if (name == tr("Coolwarm", "colormap")) return ColormapType::Coolwarm; else if (name == tr("Balance", "colormap")) return ColormapType::Balance; else if (name == tr("Blue-DarkRed", "colormap")) return ColormapType::BlueDkRed; else if (name == tr("Turbo", "colormap")) return ColormapType::Turbo; return ColormapType::Turbo; } void Surfaces::colorMeshByPotential() { const auto model = m_dialog->colorModel().toStdString(); const auto colormap = getColormapFromString(m_dialog->colormapName()); const auto positionsf = m_mesh1->vertices(); if (positionsf.empty()) return; Core::Array positions(positionsf.size()); std::transform(positionsf.begin(), positionsf.end(), positions.begin(), [](const Vector3f& pos) { return pos.cast(); }); const auto potentials = Calc::ChargeManager::instance().potentials(model, *m_molecule, positions); double minPotential = *std::min_element(potentials.begin(), potentials.end()); double maxPotential = *std::max_element(potentials.begin(), potentials.end()); double clamp = std::max(std::abs(minPotential), std::abs(maxPotential)); Core::Array colors(positions.size()); for (size_t i = 0; i < potentials.size(); i++) colors[i] = chargeGradient(potentials[i], clamp, colormap); m_mesh1->setColors(colors); } void Surfaces::colorMesh() { if (m_dialog == nullptr) return; switch (m_dialog->colorProperty()) { case None: break; case ByElectrostaticPotential: colorMeshByPotential(); break; } } void Surfaces::meshFinished() { --m_meshesLeft; if (m_meshesLeft == 0) { colorMesh(); // finished, so request to enable the mesh display type QStringList displayTypes; displayTypes << tr("Meshes"); requestActiveDisplayTypes(displayTypes); if (m_recordingMovie) { // Move to the next frame. qDebug() << "Let's get to the next frame…"; m_molecule->emitChanged(QtGui::Molecule::Added); movieFrame(); } else { if (m_dialog != nullptr) m_dialog->reenableCalculateButton(); m_molecule->emitChanged(QtGui::Molecule::Added); } } } void Surfaces::recordMovie() { QString baseFileName; if (m_molecule) baseFileName = m_molecule->data("fileName").toString().c_str(); QString selectedFilter = tr("Movie AVI (*.avi)"); QString baseName = QFileDialog::getSaveFileName( qobject_cast(parent()), tr("Export Movie"), "", tr("Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)"), &selectedFilter); if (baseName.isEmpty()) { m_dialog->enableRecord(); return; } QFileInfo fileInfo(baseName); if (!fileInfo.suffix().isEmpty()) baseName = fileInfo.absolutePath() + "/" + fileInfo.baseName(); m_baseFileName = baseName; m_numberLength = static_cast( ceil(log10(static_cast(m_molecule->coordinate3dCount()) + 1))); m_recordingMovie = true; m_currentFrame = 1; m_frameCount = m_molecule->coordinate3dCount(); // Figure out the save type, and work accordingly... if (selectedFilter == tr("GIF (*.gif)")) { d->gwaviWriter = nullptr; d->gifWriter = new GifWriter; GifBegin(d->gifWriter, (baseName + ".gif").toLatin1().data(), 800, 600, 100 / 4); } else if (selectedFilter == tr("Movie AVI (*.avi)")) { d->gifWriter = nullptr; d->gwaviWriter = gwavi_open((baseName + ".avi").toLatin1().data(), 800, 600, "MJPG", 4, nullptr); } else { d->gwaviWriter = nullptr; d->gifWriter = nullptr; } stepChanged(m_currentFrame); m_dialog->setStep(m_currentFrame); calculateSurface(); } void Surfaces::movieFrame() { // Not ideal, need to let things update asynchronously, complete, before we // capture the frame. When appropriate move to the next frame or complete. QCoreApplication::sendPostedEvents(); QCoreApplication::processEvents(); auto glWidget = QtOpenGL::ActiveObjects::instance().activeGLWidget(); if (!glWidget) { QMessageBox::warning(qobject_cast(parent()), tr("Avogadro"), "Couldn't find the active render widget, failing."); m_recordingMovie = false; m_dialog->enableRecord(); return; } glWidget->resize(800 / glWidget->devicePixelRatio(), 600 / glWidget->devicePixelRatio()); QImage exportImage; glWidget->raise(); glWidget->repaint(); if (QOpenGLFramebufferObject::hasOpenGLFramebufferObjects()) { exportImage = glWidget->grabFramebuffer(); } else { auto* screen = QGuiApplication::primaryScreen(); auto pixmap = screen->grabWindow(glWidget->winId()); exportImage = pixmap.toImage(); } if (d->gifWriter) { int pixelCount = exportImage.width() * exportImage.height(); auto* imageData = new uint8_t[pixelCount * 4]; int imageIndex = 0; for (int j = 0; j < exportImage.height(); ++j) { for (int k = 0; k < exportImage.width(); ++k) { QColor color = exportImage.pixel(k, j); imageData[imageIndex] = static_cast(color.red()); imageData[imageIndex + 1] = static_cast(color.green()); imageData[imageIndex + 2] = static_cast(color.blue()); imageData[imageIndex + 3] = static_cast(color.alpha()); imageIndex += 4; } } GifWriteFrame(d->gifWriter, imageData, 800, 600, 100 / 4); delete[] imageData; } else if (d->gwaviWriter) { QByteArray ba; QBuffer buffer(&ba); buffer.open(QIODevice::WriteOnly); exportImage.save(&buffer, "JPG"); if (gwavi_add_frame( d->gwaviWriter, reinterpret_cast(buffer.data().data()), buffer.size()) == -1) { QMessageBox::warning(qobject_cast(parent()), tr("Avogadro"), tr("Error: cannot add frame to video.")); } } else { QString fileName = QString::number(m_currentFrame); while (fileName.length() < m_numberLength) fileName.prepend('0'); fileName.prepend(m_baseFileName); fileName.append(".png"); qDebug() << "Writing to" << fileName; if (!exportImage.save(fileName)) { QMessageBox::warning(qobject_cast(parent()), tr("Avogadro"), tr("Cannot save file %1.").arg(fileName)); return; } } // Increment current frame. ++m_currentFrame; if (m_currentFrame <= m_frameCount) { qDebug() << "Starting next frame…"; stepChanged(m_currentFrame); m_dialog->setStep(m_currentFrame); calculateSurface(); } else { qDebug() << "We are done! Make some movies."; if (d->gifWriter) { GifEnd(d->gifWriter); delete d->gifWriter; d->gifWriter = nullptr; } else if (d->gwaviWriter) { gwavi_close(d->gwaviWriter); d->gwaviWriter = nullptr; } else { QProcess proc; QStringList args; args << "-y" << "-r" << QString::number(10) << "-i" << m_baseFileName + "%0" + QString::number(m_numberLength) + "d.png" << "-c:v" << "libx264" << "-r" << "30" << "-pix_fmt" << "yuv420p" << m_baseFileName + ".mp4"; proc.execute("avconv", args); } /* args.clear(); args << "-dispose" << "Background" << "-delay" << QString::number(100 / 10) << m_baseFileName + "%0" + QString::number(m_numberLength) + "d.png[0-" + QString::number(m_molecule->coordinate3dCount() - 1) + "]" << m_baseFileName + ".gif"; proc.execute("convert", args); */ m_recordingMovie = false; m_dialog->enableRecord(); } } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/surfaces/surfaces.h000066400000000000000000000074531474375334400240030ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SURFACES_H #define AVOGADRO_QTPLUGINS_SURFACES_H #include #include #include #include class QAction; class QDialog; class QProgressDialog; namespace Avogadro { namespace QtGui { class MeshGenerator; class GaussianSetConcurrent; class SlaterSetConcurrent; } // namespace QtGui namespace Core { class BasisSet; class Cube; class Mesh; } // namespace Core namespace QtPlugins { /** * @brief The Surfaces plugin registers quantum file formats, adds several * menu entries to calculate surfaces, including QM ones. */ class SurfaceDialog; class Surfaces : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit Surfaces(QObject* parent = nullptr); ~Surfaces(); enum Type { VanDerWaals, SolventAccessible, SolventExcluded, ElectrostaticPotential, ElectronDensity, MolecularOrbital, SpinDensity, FromFile, Unknown }; enum ColorProperty { None, ByElectrostaticPotential }; QString name() const override { return tr("Surfaces"); } QString description() const override { return tr("Read and render surfaces."); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule* mol) override; void registerCommands() override; public slots: bool handleCommand(const QString& command, const QVariantMap& options) override; void moleculeChanged(unsigned int changes); private slots: void surfacesActivated(); void calculateSurface(); void calculateEDT(Type type = Unknown, float defaultResolution = 0.0); void performEDTStep(); // EDT step for SolventExcluded void calculateQM(Type type = Unknown, int index = -1, bool betaSpin = false, float isoValue = 0.0, float defaultResolution = 0.0); void calculateCube(int index = -1, float isoValue = 0.0); void stepChanged(int); void displayMesh(); void meshFinished(); void colorMesh(); void colorMeshByPotential(); void recordMovie(); void movieFrame(); private: float resolution(float specified = 0.0); Core::Color3f chargeGradient(double value, double clamp, tinycolormap::ColormapType colormap) const; tinycolormap::ColormapType getColormapFromString(const QString& name) const; QList m_actions; QProgressDialog* m_progressDialog = nullptr; QtGui::Molecule* m_molecule = nullptr; Core::BasisSet* m_basis = nullptr; QtGui::GaussianSetConcurrent* m_gaussianConcurrent = nullptr; QtGui::SlaterSetConcurrent* m_slaterConcurrent = nullptr; Core::Cube* m_cube = nullptr; std::vector m_cubes; /* One QFutureWatcher per asynchronous slot function, e.g.:*/ /* calculateEDT() -> [performEDTStep()] -> displayMesh() */ QFutureWatcher m_performEDTStepWatcher; QFutureWatcher m_displayMeshWatcher; Core::Mesh* m_mesh1 = nullptr; Core::Mesh* m_mesh2 = nullptr; /* displayMesh() -> meshFinished() */ QtGui::MeshGenerator* m_meshGenerator1 = nullptr; QtGui::MeshGenerator* m_meshGenerator2 = nullptr; float m_isoValue = 0.01; int m_smoothingPasses = 6; int m_meshesLeft = 0; bool m_recordingMovie = false; int m_currentFrame = 0; int m_frameCount = 1; QString m_baseFileName; int m_numberLength = 1; SurfaceDialog* m_dialog = nullptr; class PIMPL; PIMPL* d = nullptr; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_SURFACES_H avogadrolibs-1.100.0/avogadro/qtplugins/svg/000077500000000000000000000000001474375334400207725ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/svg/CMakeLists.txt000066400000000000000000000003441474375334400235330ustar00rootroot00000000000000find_package(Qt${QT_VERSION} COMPONENTS Svg REQUIRED) avogadro_plugin(SVG "Project the screen in a SVG image." ExtensionPlugin svg.h SVG "svg.cpp" "" ) target_link_libraries(SVG PRIVATE Avogadro::QtOpenGL Qt::Svg) avogadrolibs-1.100.0/avogadro/qtplugins/svg/svg.cpp000066400000000000000000000210121474375334400222710ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "svg.h" #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { const float SVG::DEFAULT_RADIUS = 35.0f; const float SVG::DEFAULT_PEN_WIDTH_MOL = 1.0f; const float SVG::DEFAULT_PEN_WIDTH_BOND = 4.0f; const float SVG::DEFAULT_OFF_SET_PARALEL = 7.0f; const float SVG::DEFAULT_IMAGE_PADDING = 1.0f; const Vector3ub SVG::DEFAULT_BOND_COLOR = Vector3ub(125, 125, 125); SVG::SVG(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_molecule(nullptr), m_scene(nullptr), m_camera(nullptr), m_action(new QAction(tr("&SVG…"), this)) { connect(m_action, SIGNAL(triggered()), SLOT(render())); } SVG::~SVG() {} QList SVG::actions() const { QList result; return result << m_action; } QStringList SVG::menuPath(QAction*) const { return QStringList() << tr("&File") << tr("&Export"); } void SVG::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void SVG::setScene(Rendering::Scene* scene) { m_scene = scene; } void SVG::setCamera(Rendering::Camera* camera) { m_camera = camera; } bool SVG::defaultChecks() { if ((m_molecule == nullptr) || (m_camera == nullptr)) return true; // Check for 3D coordinates - it's useless to consider the camera otherwise if (m_molecule->atomPositions3d().size() != m_molecule->atomCount()) return true; // no need to create SVG when there are no atoms if (m_molecule->atomCount() == 0) return true; return false; } void SVG::setOptions() { m_radius = DEFAULT_RADIUS; m_penWidthMol = DEFAULT_PEN_WIDTH_MOL; m_penWidthBond = DEFAULT_PEN_WIDTH_BOND; m_offSetParalel = DEFAULT_OFF_SET_PARALEL; m_ImagePadding = DEFAULT_IMAGE_PADDING; m_BondColor = DEFAULT_BOND_COLOR; } // calculate the camera frustrum void SVG::calculateCamera() { Eigen::Matrix4f m = (m_camera->projection() * m_camera->modelView()).matrix(); m_frustrum = std::vector(6); // right m_frustrum[0] = Eigen::Vector4f(m(0, 3) + m(0, 0), m(1, 3) + m(1, 0), m(2, 3) + m(2, 0), m(3, 3) + m(3, 0)); // left m_frustrum[1] = Eigen::Vector4f(m(0, 3) - m(0, 0), m(1, 3) - m(1, 0), m(2, 3) - m(2, 0), m(3, 3) - m(3, 0)); // top m_frustrum[2] = Eigen::Vector4f(m(0, 3) - m(0, 1), m(1, 3) - m(1, 1), m(2, 3) - m(2, 1), m(3, 3) - m(3, 1)); // bottom m_frustrum[3] = Eigen::Vector4f(m(0, 3) + m(0, 1), m(1, 3) + m(1, 1), m(2, 3) + m(2, 1), m(3, 3) + m(3, 1)); // far m_frustrum[4] = Eigen::Vector4f(m(0, 2), m(1, 2), m(2, 2), m(3, 2)); // near m_frustrum[5] = Eigen::Vector4f(m(0, 3) - m(0, 2), m(1, 3) - m(1, 2), m(2, 3) - m(2, 2), m(3, 3) - m(3, 2)); } // conservative frustrum culling bool SVG::frustrumCulling(const SVGAtom& atom) { return true; for (const auto& p : m_frustrum) { Eigen::Vector4f pos_model; pos_model << atom.pos_model, 1.0f; if (p.dot(pos_model) + atom.radius <= 0) return true; } return false; } // transform view position to 2d SVG image Eigen::Vector3f SVG::posToSVGImage(const SVGAtom& atom) { Eigen::Vector3f result = m_camera->project(atom.pos_model); float scale = 1.0f + ((atom.pos_view - m_min).norm() / m_max.norm()); float r_scale = 2.0f - (1.0f / atom.radius); result[1] = ((result[1] - (m_height / 2.0f)) * -1.0f) + (m_height / 2.0f); result[2] = m_radius * r_scale * scale; return result; } // get all model, view, image positions sort them and save id to vector index void SVG::getPositions() { m_atoms.clear(); calculateCamera(); m_max[0] = m_max[1] = m_max[2] = Eigen::Infinity; m_min[0] = m_min[1] = m_min[2] = Eigen::Infinity * -1.0f; const Core::Array atomPositions = m_molecule->atomPositions3d(); for (unsigned int i = 0; i < atomPositions.size(); ++i) { Eigen::Vector3f pos = m_camera->modelView() * atomPositions[i].cast(); pos[1] *= -1.0f; SVGAtom atom(atomPositions[i].cast(), pos, i, m_molecule->bonds(i).size()); m_atoms.push_back(atom); if (frustrumCulling(atom)) { for (unsigned int j = 0; j < 3; ++j) { if (m_min[j] > pos[j]) m_min[j] = pos[j]; if (m_max[j] < pos[j]) m_max[j] = pos[j]; } } } m_min[0] -= m_ImagePadding; m_min[1] -= m_ImagePadding; m_max[0] += m_ImagePadding; m_max[1] += m_ImagePadding; m_max -= m_min; std::sort(m_atoms.begin(), m_atoms.end(), [&](const SVGAtom& a, const SVGAtom& b) { // sort using the distance to the camera return a.pos_view.norm() > b.pos_view.norm(); }); int i = 0; for (auto& m : m_atoms) { m_idToindex[m.id] = i; m.pos_image = posToSVGImage(m); ++i; } } // paint all bondings only once void SVG::paintBonds(QPainter& painter, const SVGAtom& atom, unsigned int i, const NeighborListType& bonds) { painter.setPen(QPen(QColor(m_BondColor[0], m_BondColor[1], m_BondColor[2]), m_penWidthBond)); for (auto bond : bonds) { unsigned int j = bond.atom2().index(); if (m_idToindex[j] == i) { j = bond.atom1().index(); } if (m_idToindex[j] <= i) { continue; } // calculate the inicial and final position, considering the atom middle // and the middle of the pen width auto mol_to = m_atoms[m_idToindex[j]].pos_image; Eigen::Vector2f from(atom.pos_image[0] - (m_penWidthBond / 2.0f), atom.pos_image[1] - (m_penWidthBond / 2.0f)); Eigen::Vector2f to(mol_to[0] - (m_penWidthBond / 2.0f), mol_to[1] - (m_penWidthBond / 2.0f)); float L = std::sqrt((from[0] - to[0]) * (from[0] - to[0]) + (from[1] - to[1]) * (from[1] - to[1])); float offsetX = (to[1] - from[1]) / L; float offsetY = (from[0] - to[0]) / L; unsigned int order = int(bond.order()); // for each bound offset it following the orthogonal direction for (unsigned int o = 0; o < order; ++o) { // if there is only one bond, don't displace float x = 0, y = 0; if (order > 1) { x = (float(o) - (order / 2.0f)) * m_offSetParalel * offsetX; y = (float(o) - (order / 2.0f)) * m_offSetParalel * offsetY; } QLineF line(from[0] + x, from[1] + y, to[0] + x, to[1] + y); painter.drawLine(line); } } } void SVG::paintCore(QPainter& painter, const SVGAtom& atom) { Vector3ub atom_color = m_molecule->color(atom.id); QColor color(atom_color[0], atom_color[1], atom_color[2]); painter.setPen(QPen(QColor(0, 0, 0), m_penWidthMol)); painter.setBrush(color); painter.drawEllipse(atom.pos_image[0] - atom.pos_image[2] / 2.0f, atom.pos_image[1] - atom.pos_image[2] / 2.0f, atom.pos_image[2], atom.pos_image[2]); } void SVG::paintSVG(QPainter& painter) { const Vector4ub background = m_scene->backgroundColor(); QColor backgroundColor(background[0], background[1], background[2], background[3]); painter.fillRect(QRect(0, 0, m_width, m_height), backgroundColor); getPositions(); for (unsigned int i = 0; i < m_atoms.size(); ++i) { auto atom = m_atoms[i]; const NeighborListType bonds = m_molecule->bonds(atom.id); if (frustrumCulling(atom)) { paintBonds(painter, atom, i, bonds); paintCore(painter, atom); } } } void SVG::render() { setOptions(); if (defaultChecks()) return; QString filename = QFileDialog::getSaveFileName( qobject_cast(parent()), tr("Save File"), QDir::homePath(), tr("SVG (*.svg)")); if (!filename.endsWith(".svg", Qt::CaseInsensitive)) filename.append(".svg"); QFile file(filename); if (!file.open(QIODevice::WriteOnly)) return; m_width = m_camera->width(); m_height = m_camera->height(); QSvgGenerator generator; generator.setFileName(filename); generator.setSize(QSize(m_width, m_height)); generator.setViewBox(QRect(0, 0, m_width, m_height)); QPainter painter; painter.begin(&generator); paintSVG(painter); painter.end(); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/svg/svg.h000066400000000000000000000051361474375334400217470ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SVG_H #define AVOGADRO_QTPLUGINS_SVG_H #include #include #include #include #include #include #include namespace Avogadro { namespace QtPlugins { typedef Avogadro::Core::Array NeighborListType; class SVG : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit SVG(QObject* parent_ = nullptr); ~SVG() override; QString name() const override { return tr("SVG"); } QString description() const override { return tr("Render the scene in a SVG file."); } QList actions() const override; QStringList menuPath(QAction* action) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; void setScene(Rendering::Scene* scene) override; void setCamera(Rendering::Camera* camera) override; private slots: void render(); private: struct SVGAtom { Eigen::Vector3f pos_model, pos_view, pos_image; unsigned int radius; unsigned int id; SVGAtom(Vector3f m, Vector3f v, unsigned int i, unsigned int bonds) : pos_model(m), pos_view(v), id(i) { radius = (bonds <= 0 ? 1 : bonds); } }; QtGui::Molecule* m_molecule; Rendering::Scene* m_scene; Rendering::Camera* m_camera; QAction* m_action; int m_width, m_height; Eigen::Vector3f m_min, m_max; std::vector m_atoms; std::vector m_frustrum; std::map m_idToindex; static const float DEFAULT_RADIUS, DEFAULT_PEN_WIDTH_MOL, DEFAULT_PEN_WIDTH_BOND, DEFAULT_OFF_SET_PARALEL, DEFAULT_IMAGE_PADDING; static const Vector3ub DEFAULT_BOND_COLOR; float m_radius, m_penWidthMol, m_penWidthBond, m_offSetParalel, m_ImagePadding; Vector3ub m_BondColor; void paintSVG(QPainter& painter); void paintCore(QPainter& painter, const SVGAtom& atom); void paintBonds(QPainter& painter, const SVGAtom& atom, unsigned int i, const NeighborListType& bonds); bool defaultChecks(); void setOptions(); void getPositions(); void calculateCamera(); bool frustrumCulling(const SVGAtom& atom); Eigen::Vector3f posToSVGImage(const SVGAtom& atom); }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_SVG_H avogadrolibs-1.100.0/avogadro/qtplugins/symmetry/000077500000000000000000000000001474375334400220645ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/symmetry/CMakeLists.txt000066400000000000000000000012771474375334400246330ustar00rootroot00000000000000find_package(libmsym NO_MODULE) if(NOT DEFINED LIBMSYM_INCLUDE_DIRS) find_package(libmsym REQUIRED) endif() include_directories(${LIBMSYM_INCLUDE_DIRS}) set(symmetry_srcs symmetry.cpp symmetrywidget.cpp operationstablemodel.cpp symmetryutil.cpp ) set(symmetry_uis symmetrywidget.ui ) avogadro_plugin(Symmetry "Provide symmetry functionality." ExtensionPlugin symmetry.h Symmetry "${symmetry_srcs}" "${symmetry_uis}" ) avogadro_plugin(SymmetryScene "Render symmetry elements." ScenePlugin symmetryscene.h SymmetryScene symmetryscene.cpp) target_link_libraries(Symmetry PRIVATE ${LIBMSYM_LIBRARIES}) target_link_libraries(SymmetryScene PRIVATE Avogadro::Rendering) avogadrolibs-1.100.0/avogadro/qtplugins/symmetry/operationstablemodel.cpp000066400000000000000000000044241474375334400270100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright 2015 Marcus Johansson This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #include "operationstablemodel.h" #include "symmetryutil.h" using namespace Avogadro::QtPlugins::SymmetryUtil; namespace Avogadro::QtPlugins { OperationsTableModel::OperationsTableModel(QObject* parent) : QAbstractTableModel(parent) { m_operations = nullptr; m_operations_size = 0; } OperationsTableModel::~OperationsTableModel() { } void OperationsTableModel::setOperations( int operations_size, const msym::msym_symmetry_operation_t* operations) { beginResetModel(); m_operations_size = operations_size; m_operations = operations; endResetModel(); } /* Qt */ QVariant OperationsTableModel::headerData(int section, Qt::Orientation orientation, int role) const { if (role != Qt::DisplayRole) return QVariant(); QString name; if (orientation == Qt::Horizontal) { switch (Column(section)) { case ColumnType: return tr("Type"); case ColumnClass: return tr("Class"); case ColumnVector: return tr("Element"); default: return QVariant(); } } else { return QString::number(section + 1); } } QVariant OperationsTableModel::data(const QModelIndex& index, int role) const { if (role != Qt::DisplayRole || !index.isValid()) return QVariant(); const msym::msym_symmetry_operation_t* operation = &m_operations[index.row()]; switch (Column(index.column())) { case ColumnType: return operationSymbol(operation); case ColumnClass: return operation->cla; case ColumnVector: return QString("NA"); default: return QVariant(); } } } avogadrolibs-1.100.0/avogadro/qtplugins/symmetry/operationstablemodel.h000066400000000000000000000036471474375334400264630ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright 2015 Marcus Johansson This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_OPERATIONSTABLEMODEL_H #define AVOGADRO_QTPLUGINS_OPERATIONSTABLEMODEL_H namespace msym { extern "C" { #include } } #include #include #include #define OPERATIONSTABLEMODEL_COLUMN_COUNT 3 namespace Avogadro { namespace QtPlugins { class OperationsTableModel : public QAbstractTableModel { Q_OBJECT public: enum Column { ColumnType = 0, ColumnClass = 1, ColumnVector = 2 }; explicit OperationsTableModel(QObject* parent = nullptr); ~OperationsTableModel() override; int rowCount(const QModelIndex&) const override { return m_operations_size; }; int columnCount(const QModelIndex&) const override { return OPERATIONSTABLEMODEL_COLUMN_COUNT; }; QVariant data(const QModelIndex& index, int role = Qt::DisplayRole) const override; QVariant headerData(int section, Qt::Orientation orientation, int role) const override; void setOperations(int operations_size, const msym::msym_symmetry_operation_t* operations); void clearOperations(); private: const msym::msym_symmetry_operation_t* m_operations; int m_operations_size; }; } } #endif // AVOGADRO_QTPLUGINS_OPERATIONSTABLEMODEL_H avogadrolibs-1.100.0/avogadro/qtplugins/symmetry/symmetry.cpp000066400000000000000000000262741474375334400244740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "symmetry.h" #include "symmetrywidget.h" #include "symmetryutil.h" //#include //#include #include #include #include #include #include // using Avogadro::Core::CrystalTools; // using Avogadro::Core::UnitCell; using Avogadro::QtGui::Molecule; using namespace msym; using namespace Avogadro::QtPlugins::SymmetryUtil; namespace Avogadro::QtPlugins { Symmetry::Symmetry(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_) , m_molecule(nullptr) , m_symmetryWidget(nullptr) , m_viewSymmetryAction(new QAction(this)) { m_ctx = msymCreateContext(); m_viewSymmetryAction->setText(tr("Symmetry…")); m_viewSymmetryAction->setProperty("menu priority", -50); connect(m_viewSymmetryAction, SIGNAL(triggered()), SLOT(viewSymmetry())); m_actions.push_back(m_viewSymmetryAction); /* connect(m_symmetryWidget, SIGNAL(clicked()), this, SLOT(detectSymmetry())); connect(m_ui->symmetrizeButton, SIGNAL(clicked()), this, SLOT(symmetrize())); connect(m_ui->toleranceCombo, SIGNAL(currentIndexChanged(int)), this, SLOT(toleranceChanged(int)));*/ /* m_standardOrientationAction->setText(tr("Rotate to Standard &Orientation")); connect(m_standardOrientationAction, SIGNAL(triggered()), SLOT(standardOrientation())); m_actions.push_back(m_standardOrientationAction); m_standardOrientationAction->setProperty("menu priority", -250);*/ updateActions(); } Symmetry::~Symmetry() { if (m_symmetryWidget) m_symmetryWidget->deleteLater(); qDeleteAll(m_actions); m_actions.clear(); if (m_ctx != nullptr) { msymReleaseContext(m_ctx); } } QList Symmetry::actions() const { return m_actions; } QStringList Symmetry::menuPath(QAction*) const { return QStringList() << tr("&Analysis") << tr("&Properties"); } void Symmetry::setMolecule(QtGui::Molecule* mol) { if (m_molecule == mol) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; if (m_symmetryWidget) m_symmetryWidget->setMolecule(m_molecule); if (m_molecule) connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint))); updateActions(); m_dirty = true; } void Symmetry::moleculeChanged(unsigned int c) { Q_ASSERT(m_molecule == qobject_cast(sender())); auto changes = static_cast(c); if (changes & Molecule::Added || changes & Molecule::Removed) updateActions(); /* if (changes & Molecule::UnitCell) { if (changes & Molecule::Added || changes & Molecule::Removed) updateActions(); }*/ if ((changes & Molecule::Atoms) && (changes & Molecule::Modified || changes & Molecule::Added || changes & Molecule::Removed)) { m_dirty = true; } } void Symmetry::updateActions() { // Disable everything for NULL molecules. if (!m_molecule) { foreach (QAction* action, m_actions) action->setEnabled(false); return; } else { foreach (QAction* action, m_actions) action->setEnabled(true); } /* if (m_molecule->unitCell()) { foreach (QAction *action, m_actions) action->setEnabled(true); m_toggleUnitCellAction->setText(tr("Remove &Unit Cell")); } else { foreach (QAction *action, m_actions) action->setEnabled(false); m_toggleUnitCellAction->setEnabled(true); m_toggleUnitCellAction->setText(tr("Add &Unit Cell")); }*/ } void Symmetry::viewSymmetry() { if (!m_symmetryWidget) { m_symmetryWidget = new SymmetryWidget(qobject_cast(parent())); m_symmetryWidget->setMolecule(m_molecule); connect(m_symmetryWidget, SIGNAL(detectSymmetry()), SLOT(detectSymmetry())); connect(m_symmetryWidget, SIGNAL(symmetrizeMolecule()), SLOT(symmetrizeMolecule())); } if (m_dirty) { detectSymmetry(); } m_symmetryWidget->show(); } void Symmetry::detectSymmetry() { unsigned int length = m_molecule->atomCount(); if (m_molecule == nullptr || m_molecule->atomPositions3d().size() != length || length < 2) return; // if one atom = Kh if (length == 1) { m_symmetryWidget->setPointGroupSymbol(QString("Kh")); return; } // interface with libmsym msym_error_t ret = MSYM_SUCCESS; msym_element_t* elements = nullptr; char point_group[6]; double cm[3], radius = 0.0; /* Do not free these variables */ const msym_symmetry_operation_t* msops = nullptr; const msym_subgroup_t* msg = nullptr; const msym_equivalence_set_t* mes = nullptr; int mesl = 0, msgl = 0, msopsl = 0; // initialize the c-style array of atom names and coordinates msym_element_t* a; a = (msym_element_t*)malloc(length * sizeof(msym_element_t)); memset(a, 0, length * sizeof(msym_element_t)); for (Index i = 0; i < length; ++i) { Vector3 ipos = m_molecule->atomPositions3d()[i]; // this is yucky, but msym uses type for id :-( a[i].id = reinterpret_cast(i); a[i].n = m_molecule->atomicNumbers()[i]; if (a[i].n < 1 || a[i].n > 118) a[i].n = 1; // pretend to be an H atom for libmsym a[i].v[0] = ipos[0]; a[i].v[1] = ipos[1]; a[i].v[2] = ipos[2]; } elements = a; if (m_ctx != nullptr) { msymReleaseContext(m_ctx); m_ctx = msymCreateContext(); } // Set the thresholds // switch (m_dock->toleranceCombo->currentIndex()) { msym_thresholds_t* thresholds = m_symmetryWidget->getThresholds(); msymSetThresholds(m_ctx, thresholds); // At any point, we'll set the text to NULL which will use C1 instead if (MSYM_SUCCESS != (ret = msymSetElements(m_ctx, length, elements))) { free(elements); m_symmetryWidget->setPointGroupSymbol(pointGroupSymbol(nullptr)); m_symmetryWidget->setEquivalenceSets(0, nullptr); m_symmetryWidget->setSymmetryOperations(0, nullptr); m_symmetryWidget->setSubgroups(0, nullptr); qDebug() << "Error:" << msymErrorString(ret) << " " << msymGetErrorDetails(); return; } if (MSYM_SUCCESS != (ret = msymFindSymmetry(m_ctx))) { free(elements); m_symmetryWidget->setPointGroupSymbol(pointGroupSymbol(nullptr)); m_symmetryWidget->setEquivalenceSets(0, nullptr); m_symmetryWidget->setSymmetryOperations(0, nullptr); m_symmetryWidget->setSubgroups(0, nullptr); qDebug() << "Error:" << msymErrorString(ret) << " " << msymGetErrorDetails(); return; } /* Get the point group name */ if (MSYM_SUCCESS != (ret = msymGetPointGroupName(m_ctx, sizeof(char[6]), point_group))) { free(elements); m_symmetryWidget->setPointGroupSymbol(pointGroupSymbol(nullptr)); m_symmetryWidget->setEquivalenceSets(0, nullptr); m_symmetryWidget->setSymmetryOperations(0, nullptr); m_symmetryWidget->setSubgroups(0, nullptr); qDebug() << "Error:" << msymErrorString(ret) << " " << msymGetErrorDetails(); return; } if (MSYM_SUCCESS != (ret = msymGetSymmetryOperations(m_ctx, &msopsl, &msops))) { free(elements); m_symmetryWidget->setPointGroupSymbol(pointGroupSymbol(nullptr)); m_symmetryWidget->setEquivalenceSets(0, nullptr); m_symmetryWidget->setSymmetryOperations(0, nullptr); m_symmetryWidget->setSubgroups(0, nullptr); qDebug() << "Error:" << msymErrorString(ret) << " " << msymGetErrorDetails(); return; } if (MSYM_SUCCESS != (ret = msymGetEquivalenceSets(m_ctx, &mesl, &mes))) { free(elements); m_symmetryWidget->setPointGroupSymbol(pointGroupSymbol(nullptr)); m_symmetryWidget->setEquivalenceSets(0, nullptr); m_symmetryWidget->setSymmetryOperations(0, nullptr); m_symmetryWidget->setSubgroups(0, nullptr); qDebug() << "Error:" << msymErrorString(ret) << " " << msymGetErrorDetails(); return; } if (MSYM_SUCCESS != (ret = msymGetCenterOfMass(m_ctx, cm))) { free(elements); m_symmetryWidget->setPointGroupSymbol(pointGroupSymbol(nullptr)); m_symmetryWidget->setEquivalenceSets(0, nullptr); m_symmetryWidget->setSymmetryOperations(0, nullptr); m_symmetryWidget->setSubgroups(0, nullptr); qDebug() << "Error:" << msymErrorString(ret) << " " << msymGetErrorDetails(); return; } if (MSYM_SUCCESS != (ret = msymGetRadius(m_ctx, &radius))) { free(elements); m_symmetryWidget->setPointGroupSymbol(pointGroupSymbol(nullptr)); m_symmetryWidget->setEquivalenceSets(0, nullptr); m_symmetryWidget->setSymmetryOperations(0, nullptr); m_symmetryWidget->setSubgroups(0, nullptr); qDebug() << "Error:" << msymErrorString(ret) << " " << msymGetErrorDetails(); return; } if (point_group[1] != '0') { if (MSYM_SUCCESS != (ret = msymGetSubgroups(m_ctx, &msgl, &msg))) { free(elements); m_symmetryWidget->setPointGroupSymbol(pointGroupSymbol(nullptr)); m_symmetryWidget->setEquivalenceSets(0, nullptr); m_symmetryWidget->setSymmetryOperations(0, nullptr); m_symmetryWidget->setSubgroups(0, nullptr); qDebug() << "Error:" << msymErrorString(ret) << " " << msymGetErrorDetails(); return; } } else { m_symmetryWidget->setSubgroups(0, nullptr); } // TODO: Subgroups // if(MSYM_SUCCESS != (ret = msymGetSubgroups(ctx, &msgl, &msg))) goto err; // printf("Found point group [0] %s select subgroup\n",point_group); // for(int i = 0; i < msgl;i++) printf("\t [%d] %s\n",i+1,msg[i].name); m_symmetryWidget->setPointGroupSymbol(pointGroupSymbol(point_group)); m_symmetryWidget->setEquivalenceSets(mesl, mes); m_symmetryWidget->setSymmetryOperations(msopsl, msops); m_symmetryWidget->setSubgroups(msgl, msg); m_symmetryWidget->setCenterOfMass(cm); m_symmetryWidget->setRadius(radius); // m_symmetryWidget->m_ui->pointGroupLabel->setText(pgSymbol(point_group)); qDebug() << "detected symmetry" << point_group; free(elements); m_dirty = false; } void Symmetry::symmetrizeMolecule() { qDebug() << "symmetrize"; unsigned int length = m_molecule->atomCount(); if (m_molecule == nullptr || m_molecule->atomPositions3d().size() != length || length < 2) return; // if one atom = Kh msym_element_t* melements = nullptr; int mlength = 0; double symerr = 0.0; msym_error_t ret = MSYM_SUCCESS; // detectSymmetry(); if (MSYM_SUCCESS != (ret = msymSymmetrizeElements(m_ctx, &symerr))) return; if (MSYM_SUCCESS != (ret = msymGetElements(m_ctx, &mlength, &melements))) return; if (mlength != length) return; for (Index i = 0; i < length; ++i) { m_molecule->atomPositions3d()[i] = Vector3(melements[i].v); } m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Modified); } /* void Symmetry::standardOrientation() { CrystalTools::rotateToStandardOrientation(*m_molecule, CrystalTools::TransformAtoms); m_molecule->emitChanged(Molecule::Modified | Molecule::Atoms | Molecule::UnitCell); }*/ } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/symmetry/symmetry.h000066400000000000000000000030471474375334400241320ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SYMMETRY_H #define AVOGADRO_QTPLUGINS_SYMMETRY_H #include #include "symmetrywidget.h" namespace msym { extern "C" { #include } } namespace Avogadro { namespace QtPlugins { class SymmetryWidget; /** * @brief symmetry functionality. */ class Symmetry : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit Symmetry(QObject* parent_ = nullptr); ~Symmetry() override; QString name() const override { return tr("Symmetry"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; void moleculeChanged(unsigned int changes); private slots: void updateActions(); void viewSymmetry(); void detectSymmetry(); void symmetrizeMolecule(); private: QList m_actions; QtGui::Molecule* m_molecule; SymmetryWidget* m_symmetryWidget; QAction* m_viewSymmetryAction; msym::msym_context m_ctx; bool m_dirty = true; }; inline QString Symmetry::description() const { return tr("Provide symmetry functionality."); } } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_SYMMETRY_H avogadrolibs-1.100.0/avogadro/qtplugins/symmetry/symmetryscene.cpp000066400000000000000000000107521474375334400255040ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "symmetryscene.h" #include #include #include #include #include #include #include #include #include #include #include #include #include using namespace Avogadro; namespace Avogadro::QtPlugins { using Core::Array; using Rendering::ArcSector; using Rendering::CylinderGeometry; using Rendering::GeometryNode; using Rendering::GroupNode; using Rendering::MeshGeometry; using Rendering::SphereGeometry; SymmetryScene::SymmetryScene(QObject* p) : QtGui::ScenePlugin(p), m_enabled(true) {} SymmetryScene::~SymmetryScene() {} void SymmetryScene::process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) { QVariant origo = molecule.property("SymmetryOrigo"); QVariant radius = molecule.property("SymmetryRadius"); QVariant inversion = molecule.property("SymmetryInversion"); QVariant properRotation = molecule.property("SymmetryProperRotationVariantList"); QVariant improperRotation = molecule.property("SymmetryImproperRotationVariantList"); QVariant reflection = molecule.property("SymmetryReflectionVariantList"); if (!origo.isValid() || !radius.isValid()) { return; } auto qorigo = origo.value(); Vector3f forigo = Vector3f(qorigo.x(), qorigo.y(), qorigo.z()); float fradius = radius.toFloat(); auto* geometry = new GeometryNode; node.addChild(geometry); auto* spheres = new SphereGeometry; spheres->identifier().molecule = reinterpret_cast(&molecule); spheres->identifier().type = Rendering::AtomType; geometry->addDrawable(spheres); auto* cylinders = new CylinderGeometry; cylinders->identifier().molecule = &molecule; cylinders->identifier().type = Rendering::BondType; geometry->addDrawable(cylinders); if (inversion.isValid()) { Vector3ub color(0, 0, 255); auto qvec = inversion.value(); Vector3f fvec = Vector3f(qvec.x(), qvec.y(), qvec.z()); spheres->addSphere(fvec, color, 0.3f); } if (properRotation.isValid()) { Vector3ub color(255, 0, 0); QVariantList properRotationVariantList = properRotation.toList(); foreach (QVariant qv, properRotationVariantList) { auto qvec = qv.value(); Vector3f fvec = Vector3f(qvec.x(), qvec.y(), qvec.z()); cylinders->addCylinder(forigo, forigo + 1.1 * fradius * fvec, 0.05f, color); } } if (improperRotation.isValid()) { QVariantList improperRotationVariantList = improperRotation.toList(); } if (reflection.isValid()) { Vector3ub color(255, 255, 0); QVariantList reflectionVariantList = reflection.toList(); foreach (QVariant qv, reflectionVariantList) { auto qvec = qv.value(); // normal to the mirror plane Vector3f vecNormal = Vector3f(qvec.x(), qvec.y(), qvec.z()); // get an arbitrary vector in the plane, scaled by fradius Vector3f vecPlane; if (qvec.z() < qvec.x()) vecPlane = Vector3f(-qvec.y(), qvec.x(), 0); else vecPlane = Vector3f(0, -qvec.z(), qvec.y()); vecPlane = vecPlane.normalized() * fradius; auto* sect = new ArcSector; geometry->addDrawable(sect); sect->setColor(Vector3ub(color)); sect->setOpacity(127); // 50% sect->setRenderPass(Rendering::TranslucentPass); sect->setArcSector(forigo, vecPlane, vecNormal, 360.0f, 5.f); // cylinders->addCylinder(forigo - fvec * 0.025f, forigo + fvec * // 0.025f, fradius, color); } } } void SymmetryScene::processEditable(const QtGui::RWMolecule& molecule, Rendering::GroupNode& node) { process(molecule.molecule(), node); } bool SymmetryScene::isEnabled() const { return m_enabled; } bool SymmetryScene::isActiveLayerEnabled() const { return m_enabled; } void SymmetryScene::setEnabled(bool enable) { m_enabled = enable; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/symmetry/symmetryscene.h000066400000000000000000000025041474375334400251450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SYMMETRYSCENE_H #define AVOGADRO_QTPLUGINS_SYMMETRYSCENE_H #include #include namespace Avogadro { namespace QtPlugins { /** * @brief Render the symmetry elements */ class SymmetryScene : public QtGui::ScenePlugin { Q_OBJECT public: explicit SymmetryScene(QObject* parent = nullptr); ~SymmetryScene() override; void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; void processEditable(const QtGui::RWMolecule& molecule, Rendering::GroupNode& node) override; QString name() const override { return tr("Symmetry Elements"); } QString description() const override { return tr("Render symmetry elements."); } bool isEnabled() const override; bool isActiveLayerEnabled() const override; void setEnabled(bool enable) override; private: bool m_enabled; }; } // end namespace QtPlugins } // end namespace Avogadro #endif // AVOGADRO_QTPLUGINS_SYMMETRYSCENE_H avogadrolibs-1.100.0/avogadro/qtplugins/symmetry/symmetryutil.cpp000066400000000000000000000054041474375334400253620ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright 2015 Marcus Johansson This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #include "symmetryutil.h" #define _ORIENT_HORIZONTAL \ msym::_msym_symmetry_operation::MSYM_SYMMETRY_OPERATION_ORIENTATION_HORIZONTAL #define _ORIENT_VERTICAL \ msym::_msym_symmetry_operation::MSYM_SYMMETRY_OPERATION_ORIENTATION_VERTICAL #define _ORIENT_DIHEDRAL \ msym::_msym_symmetry_operation::MSYM_SYMMETRY_OPERATION_ORIENTATION_DIHEDRAL namespace Avogadro::QtPlugins::SymmetryUtil { QString pointGroupSymbol(const char* point_group) { QString pointGroup(point_group); if (pointGroup.isEmpty()) pointGroup = "C1"; // default // check if we need an infinity symbol if (pointGroup[1] == '0') pointGroup = pointGroup.replace(1, 1, QObject::trUtf8("\u221e")); // After first character, point group should subscript everything pointGroup.insert(1, ""); pointGroup.append(""); return pointGroup; } QString operationSymbol(const msym::msym_symmetry_operation_t* operation) { // omit first power QString symbol; if (operation->type == IDENTITY) { symbol = QString("E"); } else if (operation->type == INVERSION) { symbol = QString("i"); } else if (operation->type == PROPER_ROTATION) { symbol = QString("C%1").arg(operation->order); if (operation->power > 1) // add the power for ^2, ^3, etc. symbol.append(QString("%2").arg(operation->power)); } else if (operation->type == IMPROPER_ROTATION) { symbol = QString("S%1").arg(operation->order); if (operation->power > 1) // add the power for ^2, ^3, etc. symbol.append(QString("%2").arg(operation->power)); } else if (operation->type == REFLECTION) { symbol = QString("σ"); if (operation->orientation == _ORIENT_HORIZONTAL) symbol.append("h"); else if (operation->orientation == _ORIENT_DIHEDRAL) symbol.append("d"); else if (operation->orientation == _ORIENT_VERTICAL) symbol.append("v"); } return symbol; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/symmetry/symmetryutil.h000066400000000000000000000037261474375334400250340ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright 2015 Marcus Johansson This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SYMMETRYUTIL_H #define AVOGADRO_QTPLUGINS_SYMMETRYUTIL_H #include namespace msym { extern "C" { #include } } #ifndef IDENTITY #define IDENTITY \ msym::_msym_symmetry_operation::MSYM_SYMMETRY_OPERATION_TYPE_IDENTITY #endif #ifndef REFLECTION #define REFLECTION \ msym::_msym_symmetry_operation::MSYM_SYMMETRY_OPERATION_TYPE_REFLECTION #endif #ifndef INVERSION #define INVERSION \ msym::_msym_symmetry_operation::MSYM_SYMMETRY_OPERATION_TYPE_INVERSION #endif #ifndef PROPER_ROTATION #define PROPER_ROTATION \ msym::_msym_symmetry_operation::MSYM_SYMMETRY_OPERATION_TYPE_PROPER_ROTATION #endif #ifndef IMPROPER_ROTATION #define IMPROPER_ROTATION \ msym::_msym_symmetry_operation::MSYM_SYMMETRY_OPERATION_TYPE_IMPROPER_ROTATION #endif namespace Avogadro { namespace QtPlugins { namespace SymmetryUtil { QString pointGroupSymbol(const char* point_group); QString operationSymbol(const msym::msym_symmetry_operation_t* operation); } } } #endif // AVOGADRO_QTPLUGINS_SYMMETRYUTIL_H avogadrolibs-1.100.0/avogadro/qtplugins/symmetry/symmetrywidget.cpp000066400000000000000000000276341474375334400257010ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "symmetrywidget.h" #include "symmetryutil.h" #include "ui_symmetrywidget.h" #include #include #include #include using Avogadro::QtGui::Molecule; using Avogadro::QtGui::RichTextDelegate; using namespace msym; using namespace Avogadro::QtPlugins::SymmetryUtil; namespace Avogadro::QtPlugins { msym_thresholds_t tight_thresholds = { // all defaults /*.zero =*/1.0e-3, /*.geometry =*/1.0e-3, /*.angle =*/1.0e-3, /*.equivalence =*/5.0e-4, /*.eigfact =*/1.0e-3, /*.permutation =*/5.0e-3, /*.orthogonalization =*/0.1 }; msym_thresholds_t medium_thresholds = { /*.zero =*/1.0e-2, /*.geometry =*/1.0e-2, /*.angle =*/1.0e-2, /*.equivalence =*/6.3e-3, /*.eigfact =*/1.0e-3, /*.permutation =*/1.58e-2, /*.orthogonalization =*/0.1 }; msym_thresholds_t loose_thresholds = { /*.zero =*/0.06, /*.geometry =*/0.1, /*.angle =*/0.06, /*.equivalence =*/0.025, /*.eigfact =*/1.0e-3, /*.permutation =*/1.0e-1, /*.orthogonalization =*/0.1 }; msym_thresholds_t sloppy_thresholds = { /*.zero =*/0.1, /*.geometry =*/0.1, /*.angle =*/0.1, /*.equivalence =*/0.075, /*.eigfact =*/1.0e-3, /*.permutation =*/1.0e-1, /*.orthogonalization =*/0.1 }; SymmetryWidget::SymmetryWidget(QWidget* parent_) : QWidget(parent_), m_ui(new Ui::SymmetryWidget), m_molecule(nullptr), m_equivalenceTreeModel(new QStandardItemModel(this)), m_operationsTableModel(new OperationsTableModel(this)), m_subgroupsTreeModel(new QStandardItemModel(this)), m_es(nullptr), m_sops(nullptr), m_sg(nullptr), m_sopsl(0), m_sgl(0), m_radius(0.0) { setWindowFlags(Qt::Dialog); m_ui->setupUi(this); m_ui->equivalenceTree->setModel(m_equivalenceTreeModel); m_ui->operationsTable->setModel(m_operationsTableModel); m_ui->operationsTable->setItemDelegateForColumn( OperationsTableModel::ColumnType, new RichTextDelegate(this)); m_ui->subgroupsTree->setModel(m_subgroupsTreeModel); m_ui->subgroupsTree->setItemDelegateForColumn(0, new RichTextDelegate(this)); connect(m_ui->detectSymmetryButton, SIGNAL(clicked()), SIGNAL(detectSymmetry())); connect(m_ui->symmetrizeMoleculeButton, SIGNAL(clicked()), SIGNAL(symmetrizeMolecule())); connect( m_ui->equivalenceTree->selectionModel(), SIGNAL(selectionChanged(const QItemSelection&, const QItemSelection&)), SLOT(equivalenceSelectionChanged(const QItemSelection&, const QItemSelection&))); connect( m_ui->operationsTable->selectionModel(), SIGNAL(selectionChanged(const QItemSelection&, const QItemSelection&)), SLOT(operationsSelectionChanged(const QItemSelection&, const QItemSelection&))); connect( m_ui->subgroupsTree->selectionModel(), SIGNAL(selectionChanged(const QItemSelection&, const QItemSelection&)), SLOT( subgroupsSelectionChanged(const QItemSelection&, const QItemSelection&))); } SymmetryWidget::~SymmetryWidget() { delete m_ui; } void SymmetryWidget::setMolecule(QtGui::Molecule* molecule) { if (molecule != m_molecule) { if (m_molecule) m_molecule->disconnect(this); m_molecule = molecule; if (m_molecule) { connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint))); } } } void SymmetryWidget::moleculeChanged(unsigned int changes) { /* if (changes & Molecule::UnitCell) revert();*/ } void SymmetryWidget::operationsSelectionChanged( const QItemSelection& selected, const QItemSelection& deselected) { if (!m_molecule) return; if (m_ui->tabWidget->currentWidget() != m_ui->subgroupsTab) { // qDebug() << "subgroupsTab not selected"; m_ui->subgroupsTree->selectionModel()->reset(); } QModelIndexList selection = m_ui->operationsTable->selectionModel()->selectedRows(); // qDebug() << "operations changed"; // qDebug() << "selection " << selection.size(); QVariantList reflectionVariantList; QVariantList properRotationVariantList; QVariantList improperRotationVariantList; m_molecule->setProperty("SymmetryOrigo", QVariant()); m_molecule->setProperty("SymmetryRadius", QVariant()); m_molecule->setProperty("SymmetryInversion", QVariant()); m_molecule->setProperty("SymmetryProperRotationVariantList", QVariant()); m_molecule->setProperty("SymmetryImproperRotationVariantList", QVariant()); m_molecule->setProperty("SymmetryReflectionVariantList", QVariant()); // qDebug() << "cleared elements"; if (m_sopsl > 0 && selection.size() > 0) { m_molecule->setProperty("SymmetryOrigo", m_cm); m_molecule->setProperty("SymmetryRadius", m_radius); } foreach (QModelIndex i, selection) { unsigned int row = i.row(); if (!i.isValid() || row >= m_sopsl) continue; float x = m_sops[row].v[0], y = m_sops[row].v[1], z = m_sops[row].v[2]; switch (m_sops[row].type) { case IDENTITY: break; case PROPER_ROTATION: properRotationVariantList.append(QVector3D(x, y, z)); break; case IMPROPER_ROTATION: improperRotationVariantList.append(QVector3D(x, y, z)); break; case REFLECTION: reflectionVariantList.append(QVector3D(x, y, z)); break; case INVERSION: m_molecule->setProperty("SymmetryInversion", m_cm); break; default: break; } } if (properRotationVariantList.size() > 0) m_molecule->setProperty("SymmetryProperRotationVariantList", properRotationVariantList); if (improperRotationVariantList.size() > 0) m_molecule->setProperty("SymmetryImproperRotationVariantList", improperRotationVariantList); if (reflectionVariantList.size() > 0) m_molecule->setProperty("SymmetryReflectionVariantList", reflectionVariantList); /* A little bit ugly, but it'll do for now */ m_molecule->emitChanged(QtGui::Molecule::Atoms); } void SymmetryWidget::subgroupsSelectionChanged(const QItemSelection& selected, const QItemSelection& deselected) { // QModelIndexList selection = // m_ui->subgroupsTree->selectionModel()->selectedIndexes(); QModelIndex i = m_ui->subgroupsTree->selectionModel()->selectedIndexes().first(); // qDebug() << "subgroupsSelectionChanged"; if (!i.isValid()) return; // qDebug() << "valid"; int sgi = i.data(Qt::UserRole).value(); // qDebug() << "index " << sgi; if (sgi < 0 || sgi >= m_sgl) return; const msym::msym_subgroup_t* sg = &m_sg[sgi]; // m_ui->operationsTable->selectionModel()->clear(); QItemSelectionModel* selectionModel = m_ui->operationsTable->selectionModel(); // selectionModel->clear(); QItemSelection selection; for (int j = 0; j < sg->order; j++) { int row = static_cast(sg->sops[j] - m_sops); QModelIndex left = m_operationsTableModel->index(row, 0); QModelIndex right = m_operationsTableModel->index( row, m_operationsTableModel->columnCount(left) - 1); // if (!left.isValid() || !right.isValid()) // qDebug() << "invalid index " << j; QItemSelection sel(left, right); selection.merge(sel, QItemSelectionModel::Select); } QModelIndexList tmp = selection.indexes(); // foreach (QModelIndex j, tmp) { // qDebug() << "selecting " << j.row() << " " << j.column(); // } selectionModel->select(selection, QItemSelectionModel::ClearAndSelect); } void SymmetryWidget::equivalenceSelectionChanged( const QItemSelection& selected, const QItemSelection& deselected) { QModelIndex i = m_ui->equivalenceTree->selectionModel()->selectedIndexes().first(); // qDebug() << "equivalenceSelectionChanged"; if (!i.isValid()) return; int atomInGroup = i.data(Qt::UserRole).value(); QModelIndex g = i.parent(); if (!g.isValid()) return; int group = g.data(Qt::UserRole).value(); // qDebug() << "valid " << group << atomInGroup; if (group < 0 || group >= m_esl) return; // TODO: okay, now we have to find the atoms and select them if (!m_molecule) return; const msym_equivalence_set_t* smes = &m_es[group]; if (smes == nullptr) return; const msym_element_t* a = smes->elements[atomInGroup]; if (a == nullptr) return; Index length = m_molecule->atomCount(); // unselect all the atoms for (Index iat = 0; iat < length; ++iat) { m_molecule->setAtomSelected(iat, false); } // this is yucky, but libmsym uses for id auto selectedAtom = reinterpret_cast(a->id); m_molecule->setAtomSelected(selectedAtom, true); m_molecule->emitChanged(QtGui::Molecule::Atoms); } void SymmetryWidget::setRadius(double radius) { m_radius = radius; } void SymmetryWidget::setCenterOfMass(double cm[3]) { m_cm = QVector3D(cm[0], cm[1], cm[2]); } void SymmetryWidget::setPointGroupSymbol(QString pg) { m_ui->pointGroupLabel->setText(pg); m_molecule->setData("pointgroup", pg.toStdString()); } void SymmetryWidget::setSymmetryOperations( int sopsl, const msym::msym_symmetry_operation_t* sops) { m_sops = sops; m_sopsl = sopsl; m_operationsTableModel->setOperations(sopsl, sops); m_molecule->setProperty("SymmetryOrigo", QVariant()); m_molecule->setProperty("SymmetryRadius", QVariant()); m_molecule->setProperty("SymmetryInversion", QVariant()); m_molecule->setProperty("SymmetryProperRotationVariantList", QVariant()); m_molecule->setProperty("SymmetryImproperRotationVariantList", QVariant()); m_molecule->setProperty("SymmetryReflectionVariantList", QVariant()); /* need another change event */ m_molecule->emitChanged(QtGui::Molecule::Atoms); } void SymmetryWidget::setEquivalenceSets(int esl, const msym::msym_equivalence_set_t* es) { m_esl = esl; m_es = es; m_equivalenceTreeModel->clear(); for (int i = 0; i < esl; i++) { auto* const parent = new QStandardItem; QString label = tr("Group %1").arg(QString::number(i + 1)); parent->setText(label); parent->setData(i, Qt::UserRole); m_equivalenceTreeModel->appendRow(parent); const msym_equivalence_set_t* smes = &es[i]; for (int j = 0; j < smes->length; j++) { auto* const child = new QStandardItem; label = tr("%1 %2").arg(smes->elements[j]->name).arg(QString::number(j + 1)); child->setText(label); child->setData(j, Qt::UserRole); parent->appendRow(child); } } } void SymmetryWidget::setSubgroups(int sgl, const msym::msym_subgroup_t* sg) { m_sg = sg; m_sgl = sgl; m_subgroupsTreeModel->clear(); for (int i = 0; i < sgl; i++) { if (sg[i].order <= 2) continue; auto* const parent = new QStandardItem; parent->setText(pointGroupSymbol(sg[i].name)); parent->setData(i, Qt::UserRole); m_subgroupsTreeModel->appendRow(parent); for (auto generator : sg[i].generators) { if (generator == nullptr) continue; // qDebug() << "child " << sg[i].generators[j] - m_sg << " " // << sg[i].generators[j] << " " << m_sg; auto* const child = new QStandardItem; child->setText(pointGroupSymbol(generator->name)); child->setData(static_cast(generator - m_sg), Qt::UserRole); parent->appendRow(child); } } } msym_thresholds_t* SymmetryWidget::getThresholds() const { msym_thresholds_t* thresholds = nullptr; switch (m_ui->toleranceCombo->currentIndex()) { case 3: // sloppy thresholds = &sloppy_thresholds; break; case 2: // loose thresholds = &loose_thresholds; break; case 1: // normal thresholds = &medium_thresholds; break; case 0: // tight default: thresholds = &tight_thresholds; } return thresholds; } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/symmetry/symmetrywidget.h000066400000000000000000000051641474375334400253400ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_SYMMETRYWIDGET_H #define AVOGADRO_QTPLUGINS_SYMMETRYWIDGET_H #include #include #include #include #include #include #include #include "operationstablemodel.h" #include "symmetrywidget.h" // class QPlainTextEdit; namespace msym { extern "C" { #include } } namespace Avogadro { namespace QtGui { class Molecule; } namespace QtPlugins { namespace Ui { class SymmetryWidget; } /** * @brief The SymmetryWidget class provides a widget for handling symmetry * unit cell. */ class SymmetryWidget : public QWidget { Q_OBJECT public: explicit SymmetryWidget(QWidget* parent = nullptr); ~SymmetryWidget() override; void setMolecule(QtGui::Molecule* molecule); signals: void detectSymmetry(); void symmetrizeMolecule(); public slots: void moleculeChanged(unsigned int changes); void setPointGroupSymbol(QString pg); void setEquivalenceSets(int mesl, const msym::msym_equivalence_set_t* es); void setSymmetryOperations(int sopsl, const msym::msym_symmetry_operation_t* sops); void setSubgroups(int sgl, const msym::msym_subgroup_t* sg); void setCenterOfMass(double cm[3]); void setRadius(double radius); msym::msym_thresholds_t* getThresholds() const; private slots: void equivalenceSelectionChanged(const QItemSelection& selected, const QItemSelection& deselected); void operationsSelectionChanged(const QItemSelection& selected, const QItemSelection& deselected); void subgroupsSelectionChanged(const QItemSelection& selected, const QItemSelection& deselected); private: Ui::SymmetryWidget* m_ui; QStandardItemModel* m_equivalenceTreeModel; OperationsTableModel* m_operationsTableModel; QStandardItemModel* m_subgroupsTreeModel; QtGui::Molecule* m_molecule; QVector3D m_cm; const msym::msym_equivalence_set_t* m_es; const msym::msym_symmetry_operation_t* m_sops; const msym::msym_subgroup_t* m_sg; int m_esl, m_sopsl, m_sgl; double m_radius; void addSubgroup(QStandardItem*, msym::msym_subgroup_t*); }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_SYMMETRYWIDGET_H avogadrolibs-1.100.0/avogadro/qtplugins/symmetry/symmetrywidget.ui000066400000000000000000000165241474375334400255300ustar00rootroot00000000000000 Avogadro::QtPlugins::SymmetryWidget 0 0 412 584 Symmetry 18 75 true true C<sub>1 true 0 Molecule Symmetrically equivalent atoms: 0 0 QAbstractItemView::SingleSelection QAbstractItemView::SelectRows false false Lock Symmetry Qt::Horizontal 40 20 Symmetrize Operations Symmetry elements: 0 0 QAbstractItemView::MultiSelection QAbstractItemView::SelectRows true true Subgroups Subgroups: QAbstractItemView::NoEditTriggers QAbstractItemView::SelectRows false Qt::Horizontal 40 20 Select Qt::Horizontal 40 20 Tolerance: 1 Tight Normal Loose Very Loose Detect Symmetry true avogadrolibs-1.100.0/avogadro/qtplugins/templatetool/000077500000000000000000000000001474375334400227045ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/templatetool/CMakeLists.txt000066400000000000000000000020471474375334400254470ustar00rootroot00000000000000include(ExternalProject) set(template_srcs templatetool.cpp templatetoolwidget.cpp ) set(template_uis templatetoolwidget.ui ) set(template_rcs template.qrc ) avogadro_plugin(TemplateTool "Template tool" ToolPlugin templatetool.h TemplateTool "${template_srcs}" "${template_uis}" "${template_rcs}" ) # Install the fragments set(_fragments "${AvogadroLibs_SOURCEDATA_DIR}/fragments") # Look in parallel directory for the molecule fragment repository if(NOT EXISTS "${_fragments}") # download molecules... ExternalProject_Add(fragments GIT_REPOSITORY https://github.com/openchemistry/fragments GIT_TAG main # or https://github.com/OpenChemistry/molecules/archive/refs/heads/master.zip SOURCE_DIR "${AvogadroLibs_SOURCEDATA_DIR}/fragments" CONFIGURE_COMMAND "" BUILD_COMMAND "" INSTALL_COMMAND "" ) endif() install(DIRECTORY "${AvogadroLibs_SOURCEDATA_DIR}/fragments" DESTINATION "${INSTALL_DATA_DIR}/avogadro2" PATTERN ".git" EXCLUDE ) target_link_libraries(TemplateTool LINK_PRIVATE Avogadro::QtOpenGL) avogadrolibs-1.100.0/avogadro/qtplugins/templatetool/centers/000077500000000000000000000000001474375334400243475ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/templatetool/centers/1-lin.cjson000066400000000000000000000005661474375334400263340ustar00rootroot00000000000000{ "chemicalJson": 1, "atoms": { "coords": { "3d": [ -0.21242, 0.76221, 0.0, 1.78758, 0.76221, 0.0 ] }, "elements": { "number": [ 26, 1 ] } }, "bonds": { "connections": { "index": [ 0, 1 ] }, "order": [ 1 ] } } avogadrolibs-1.100.0/avogadro/qtplugins/templatetool/centers/1-lin.png000066400000000000000000000516121474375334400260020ustar00rootroot00000000000000PNG  IHDR@dSQIDATxieuϹyy`UQUD(HPNppFA 5P 8Q 1Yْ,يd%PdMyz{9׷Z{}yI&};{wַZk++++++++++++++++++++++++++ly0ȭ -e]}\Yθ6Mn&p2(lY5ݶ"MUxt&<7x~G7/]:ts8km4r7Gu=DoXUS ʆݶd |Ȩ0I:ff.Ot^:;1qc¹~NN^'L 7_$ޛ]]❜wM2~2kkk'.^<|c8=w7]ys^sL"0&Lzpdpgf.-NO_!_ٵ`;_ާjD=ze+;w˯X_cw}d0|:܎ |929i"#rp(L r"{QF n+OWq>>;{:9;(*.,evyej}~}ן/\'̙/t΋t o_0=!ٽeD;p{ ٽ{5rȱT+WvxcǧPOƽcD;d?y‡(_pRs PxP-#n}1$ogطtrjb潻vZ^~ЎMOLY\t7j $l 1OON",7w;g?;-B? 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@ BPB(! @ BPB(! @  @ BPB(! @ BPB(! @ BPB(! @ BPB(! @ BPB(!W$IENDB`avogadrolibs-1.100.0/avogadro/qtplugins/templatetool/ligands/sulfonate.cjson000066400000000000000000000020101474375334400273540ustar00rootroot00000000000000{ "chemicalJson": 1, "atoms": { "coords": { "3d": [ 1.2748, 0.5448, -1.1488, 1.7352, -0.2603, -0.1183, 1.9773, -1.5452, -0.6583, 2.7442, 0.4603, 0.5831, 0.4144, -0.2758, 0.7807, 0.5393, 0.2946, 1.5409 ] }, "elements": { "number": [ 0, 16, 8, 8, 8, 1 ] }, "formalCharges": [ 0, 0, 0, 0, 0, 0 ] }, "partialCharges": { "Gasteiger": [ 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 ] }, "bonds": { "connections": { "index": [ 0, 1, 1, 2, 1, 3, 1, 4, 4, 5 ] }, "order": [ 1, 2, 2, 1, 1 ] }, "properties": { "name": "", "totalCharge": 0, "totalSpinMultiplicity": 2 } }avogadrolibs-1.100.0/avogadro/qtplugins/templatetool/ligands/sulfonate.png000066400000000000000000000105331474375334400270350ustar00rootroot00000000000000PNG  IHDR?1"IDATx pTED] ţŒB׫ W-VwuUUW-ݲTPAFnTPATÅ$\!> L?|ysU5ohZ08n !!a֬Y/.)) zʕ3fشi 9O?4'''ӆuIoȑ#-Z4{줤ЛW\\y_}|ƍ7/+++AK@2f ى'Z$ 橩tС>sԩSkkk:4rH–-[_~ѣ n^ZZZ̓.@nn_^/֧UUU:|{#Fw۷o7ZT:lQB_Z͛9s}/_n|]QF7O/W!hHKXeeek֬1w^{a`?Cy=vXjtիW&\Ruuu:Ǐ___?w\⥥<Ɇ $g}fmEzw}+KnN'6o6oϞ=ڵk+@~~e$tkC\BMJ֭[[=zTwӧOَF$QЗرC׏׹~tRYJ.YDWmAA~+#ݝͳQ+Vo޶m(Nfy;m4]ҤI2 jx<"VRFEE$:$p͛>qqq/Hz}ԟ6A.#w/ &HjTYY9|pVO2Elᄑ̀} Xe,)\gGBvvUAݿԴ^$7nQ2o+|q%0o<ɋf}?8nΎ)p@/-Ä CY\JWj` D҉N{y**jiԤhrr5 W֩Ձ-F+#+T:V~)nI=ڻ7xmmٽu1?MkT.kWuu1*XCٱx6L"%7:>$$t=_ZyFn&ڴQ/*+cKETn*^c(ed:%+uVs׊ 5Lx"<q GGxg49wW))^]{vnQ]~jֹ|*ce'?;e;nII.>mIt?6Zo\woUSr|a.XzS]Q;:\g#TVnut`T;thZ,DGf&Sjfrszw*ܩ~[\\N^kF/wUTl4չyNsNnۨ|/q s骪*hU4wg2uRR`5γLNzms`G4\+*;3zt&_o62W]{Q,ǚXE `xl>|&soZo'r#DYA\ ǸL%#bM /4ȀX[;#x |+0+q¸qQ, RQ^ oyrV֠oMQȚ3{$E&,jo$2 cpqq/|,/sv$#j-סCSR-NI6{\UU׸[̏FVm@tؗ:t,= DVG4A ӚQ@\.l?ŵjph(.rD'ӧQÇ͉ͭn/ z<22*N_Uq^:P#/^gcK HR@CLm{b&$t @yw溺rN;A: *c42WY`=U(k"d,߸KF{d88 4<[\+;32"a':3*' 23s/`!C4yA믻V>2wF.!.K!ܻvnWn0X<3ĽݻBlZdWW(+$*'$8,Yf5nۿYw，3 7e9w\;ulܖ\ft~hfJ `%%Kjee_'&0j~Ioijo=*=-3G̺L\uN8̀[ U55y.&܏FbdK2{7 ")o7}jC`1%H.;+%emjR]?> г?In4gQT>~wH2#{0Cc=4ݵ centers/1-lin.png centers/2-lin.png centers/3-tpl.png centers/4-sqp.png centers/4-tet.png centers/5-spy.png centers/5-tbp.png centers/6-oct.png centers/6-tpr.png centers/7-pbp.png centers/8-sqa.png ligands/1-ammine.png ligands/1-aqua.png ligands/1-carbonyl.png ligands/1-cyano.png ligands/1-ethyl.png ligands/1-isopropyl.png ligands/1-methyl.png ligands/1-phosphine.png ligands/1-propyl.png ligands/1-pyridyl.png ligands/1-t-butyl.png ligands/1-thiol.png ligands/2-acetylacetonate.png ligands/2-bipyridine.png ligands/2-ethylenediamine.png ligands/3-terpyridine.png ligands/4-phthalocyanine.png ligands/4-porphin.png ligands/4-salen.png ligands/6-edta.png ligands/amide.png ligands/carboxylate.png ligands/ethylene.png ligands/ethyne.png ligands/ester.png ligands/nitro.png ligands/phenyl.png ligands/phosphate.png ligands/sulfonate.png ligands/eta2-ethylene.png ligands/eta5-cyclopentyl.png ligands/eta6-benzene.png template_light.svg template_dark.svg centers/1-lin.cjson centers/2-lin.cjson centers/3-tpl.cjson centers/4-sqp.cjson centers/4-tet.cjson centers/5-spy.cjson centers/5-tbp.cjson centers/6-oct.cjson centers/6-tpr.cjson centers/7-pbp.cjson centers/8-sqa.cjson ligands/1-ammine.cjson ligands/1-aqua.cjson ligands/1-carbonyl.cjson ligands/1-cyano.cjson ligands/1-phosphine.cjson ligands/1-thiol.cjson ligands/1-methyl.cjson ligands/1-ethyl.cjson ligands/1-propyl.cjson ligands/1-isopropyl.cjson ligands/1-t-butyl.cjson ligands/1-pyridyl.cjson ligands/2-acetylacetonate.cjson ligands/2-bipyridine.cjson ligands/2-ethylenediamine.cjson ligands/3-terpyridine.cjson ligands/4-phthalocyanine.cjson ligands/4-porphin.cjson ligands/4-salen.cjson ligands/6-edta.cjson ligands/amide.cjson ligands/carboxylate.cjson ligands/ester.cjson ligands/ethylene.cjson ligands/ethyne.cjson ligands/nitro.cjson ligands/phenyl.cjson ligands/phosphate.cjson ligands/sulfonate.cjson ligands/eta2-ethylene.cjson ligands/eta5-cyclopentyl.cjson ligands/eta6-benzene.cjson avogadrolibs-1.100.0/avogadro/qtplugins/templatetool/template_dark.svg000066400000000000000000000063451474375334400262510ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/templatetool/template_light.svg000066400000000000000000000065001474375334400264300ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/templatetool/templatetool.cpp000066400000000000000000000561541474375334400261340ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "templatetool.h" #include "templatetoolwidget.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace { const unsigned char INVALID_ATOMIC_NUMBER = std::numeric_limits::max(); } namespace Avogadro { namespace QtPlugins { using QtGui::Molecule; using QtGui::RWAtom; using QtGui::RWBond; using QtGui::RWMolecule; using QtOpenGL::GLWidget; using Avogadro::Core::Elements; using Avogadro::Io::CjsonFormat; using Avogadro::Rendering::GeometryNode; using Avogadro::Rendering::GroupNode; using Avogadro::Rendering::Identifier; using Avogadro::Rendering::TextLabel2D; using Avogadro::Rendering::TextLabel3D; using Avogadro::Rendering::TextProperties; TemplateTool::TemplateTool(QObject* parent_) : QtGui::ToolPlugin(parent_), m_activateAction(new QAction(this)), m_molecule(NULL), m_glWidget(NULL), m_renderer(NULL), m_toolWidget(new TemplateToolWidget(qobject_cast(parent_))), m_pressedButtons(Qt::NoButton), m_clickedAtomicNumber(INVALID_ATOMIC_NUMBER), m_bondAdded(false), m_fixValenceLater(false) { QString shortcut = tr("Ctrl+3", "control-key 3"); m_activateAction->setText(tr("Template")); m_activateAction->setToolTip( tr("Template Tool \t(%1)\n\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry," "then click to insert a fragment.\n\n" "Select a ligand or functional group and click" "on a hydrogen atom to attach it.") .arg(shortcut)); setIcon(); reset(); } TemplateTool::~TemplateTool() {} void TemplateTool::setIcon(bool darkTheme) { if (darkTheme) m_activateAction->setIcon(QIcon(":/icons/template_dark.svg")); else m_activateAction->setIcon(QIcon(":/icons/template_light.svg")); } QWidget* TemplateTool::toolWidget() const { return m_toolWidget; } QUndoCommand* TemplateTool::mousePressEvent(QMouseEvent* e) { clearKeyPressBuffer(); if (!m_renderer) return NULL; updatePressedButtons(e, false); m_clickPosition = e->pos(); if (m_molecule) { m_molecule->setInteractive(true); } if (m_pressedButtons & Qt::LeftButton) { m_clickedObject = m_renderer->hit(e->pos().x(), e->pos().y()); switch (m_clickedObject.type) { case Rendering::InvalidType: emptyLeftClick(e); return NULL; case Rendering::AtomType: atomLeftClick(e); return NULL; default: break; } } else if (m_pressedButtons & Qt::RightButton) { m_clickedObject = m_renderer->hit(e->pos().x(), e->pos().y()); switch (m_clickedObject.type) { case Rendering::AtomType: atomRightClick(e); return NULL; default: break; } } return NULL; } QUndoCommand* TemplateTool::mouseReleaseEvent(QMouseEvent* e) { if (!m_renderer) return NULL; updatePressedButtons(e, true); if (m_molecule) { m_molecule->setInteractive(false); } if (m_clickedObject.type == Rendering::InvalidType) return NULL; switch (e->button()) { case Qt::LeftButton: case Qt::RightButton: reset(); e->accept(); break; default: break; } return NULL; } QUndoCommand* TemplateTool::mouseMoveEvent(QMouseEvent* e) { if (!m_renderer) return NULL; if (m_pressedButtons & Qt::LeftButton) if (m_clickedObject.type == Rendering::AtomType) atomLeftDrag(e); return NULL; } QUndoCommand* TemplateTool::keyPressEvent(QKeyEvent* e) { if (e->text().isEmpty()) return NULL; e->accept(); // Set a timer to clear the buffer on first keypress: if (m_keyPressBuffer.isEmpty()) QTimer::singleShot(2000, this, SLOT(clearKeyPressBuffer())); m_keyPressBuffer.append(m_keyPressBuffer.isEmpty() ? e->text().toUpper() : e->text().toLower()); if (m_keyPressBuffer.size() >= 3) { clearKeyPressBuffer(); return NULL; } int atomicNum = Core::Elements::atomicNumberFromSymbol(m_keyPressBuffer.toStdString()); if (atomicNum != Avogadro::InvalidElement) m_toolWidget->setAtomicNumber(static_cast(atomicNum)); return NULL; } void TemplateTool::draw(Rendering::GroupNode&) {} void TemplateTool::updatePressedButtons(QMouseEvent* e, bool release) { /// @todo Use modifier keys on mac if (release) m_pressedButtons &= e->buttons(); else m_pressedButtons |= e->buttons(); } void TemplateTool::reset() { if (m_fixValenceLater) { Index a1 = m_newObject.index; Index a2 = m_bondedAtom.index; Index a3 = m_clickedObject.index; // order them if (a1 > a2) std::swap(a1, a2); if (a1 > a3) std::swap(a1, a3); if (a2 > a3) std::swap(a2, a3); // This preserves the order so they are adjusted in order. Core::Array atomIds; atomIds.push_back(a3); atomIds.push_back(a2); atomIds.push_back(a1); // This function checks to make sure the ids are valid, so no need // to check out here. m_molecule->adjustHydrogens(atomIds); Molecule::MoleculeChanges changes = Molecule::Atoms | Molecule::Added; changes |= Molecule::Bonds | Molecule::Added | Molecule::Removed; m_molecule->emitChanged(changes); m_fixValenceLater = false; } m_clickedObject = Identifier(); m_newObject = Identifier(); m_bondedAtom = Identifier(); m_clickPosition = QPoint(); m_pressedButtons = Qt::NoButton; m_clickedAtomicNumber = INVALID_ATOMIC_NUMBER; m_bondAdded = false; emit drawablesChanged(); } void TemplateTool::emptyLeftClick(QMouseEvent* e) { // Get the coordinates of the clicked position if (m_renderer == nullptr) return; m_toolWidget->selectedUIDs().clear(); Vector2f windowPos(e->localPos().x(), e->localPos().y()); Vector3f atomPos = m_renderer->camera().unProject(windowPos); // center of inserted template Vector3 center(0.0f, 0.0f, 0.0f); CjsonFormat ff; Molecule templateMolecule; // before we do anything, check if it's a metal or a ligand // in the dialog int currentTab = m_toolWidget->currentTab(); if (currentTab == 0) { // metal center QFile templ(":/templates/centers/" + m_toolWidget->coordinationString() + ".cjson"); if (!templ.open(QFile::ReadOnly | QFile::Text)) return; QTextStream templateStream(&templ); if (!ff.readString(templateStream.readAll().toStdString(), templateMolecule)) return; // Add the atom and hydrogens around it following template size_t centerIndex = 0; for (size_t i = 0; i < templateMolecule.atomCount(); i++) { if (templateMolecule.atomicNumber(i) != 1) { center = templateMolecule.atomPosition3d(i); centerIndex = i; templateMolecule.setAtomicNumber(i, m_toolWidget->atomicNumber()); templateMolecule.setFormalCharge(i, m_toolWidget->formalCharge()); continue; } } // done with metal center and coordination } else { // ligand // check if it's clipboard first if (m_toolWidget->ligandString() == tr("Clipboard")) { const QMimeData* mimeData(QApplication::clipboard()->mimeData()); if (!mimeData) { return; } // Try to find a reader that can handle the available mime-types. Io::FileFormatManager& mgr = Io::FileFormatManager::instance(); QStringList mimeTypes(mimeData->formats()); Io::FileFormat* pastedFormat = nullptr; QByteArray pastedData; Io::FileFormat::Operations ops(Io::FileFormat::Read | Io::FileFormat::String); foreach (const QString& mimeType, mimeTypes) { if ((pastedFormat = mgr.newFormatFromMimeType(mimeType.toStdString(), ops))) { pastedData = mimeData->data(mimeType); break; } } // No mime-type match, default to cjson. if (!pastedFormat && mimeData->hasText()) { pastedFormat = new Io::CjsonFormat; pastedData = mimeData->text().toLatin1(); } if (pastedFormat == nullptr) return; // we have a format, so try to insert the new bits into the molecule bool success = pastedFormat->readString( std::string(pastedData.constData(), pastedData.size()), templateMolecule); if (!success) return; center = templateMolecule.centerOfGeometry(); // change the dummy atom(s) to hydrogen for (size_t i = 0; i < templateMolecule.atomCount(); i++) { if (templateMolecule.atomicNumber(i) == 0) { templateMolecule.setAtomicNumber(i, 1); templateMolecule.setFormalCharge(i, 0); } } // done with clipboard ligands } else { // a ligand file QString path; if (m_toolWidget->ligandString().endsWith(".cjson")) { // we already have the full path .. from the insert browser path = m_toolWidget->ligandString(); } else { path = ":/templates/ligands/" + m_toolWidget->ligandString() + ".cjson"; } QFile templ(path); if (!templ.open(QFile::ReadOnly | QFile::Text)) return; QTextStream templateStream(&templ); if (!ff.readString(templateStream.readAll().toStdString(), templateMolecule)) return; center = templateMolecule.centerOfGeometry(); // change the dummy atom(s) to hydrogen for (size_t i = 0; i < templateMolecule.atomCount(); i++) { if (templateMolecule.atomicNumber(i) == 0) { templateMolecule.setAtomicNumber(i, 1); templateMolecule.setFormalCharge(i, 0); } } // done with ligand } } // move the template to the clicked position for (size_t i = 0; i < templateMolecule.atomCount(); i++) { Vector3 pos = templateMolecule.atomPosition3d(i) - center + atomPos.cast(); templateMolecule.setAtomPosition3d(i, pos); } size_t firstIndex = m_molecule->atomCount(); m_molecule->appendMolecule(templateMolecule, tr("Insert Template")); Molecule::MoleculeChanges changes = Molecule::Atoms | Molecule::Bonds | Molecule::Added; // m_fixValenceLater = true; // add hydrogens m_fixValenceLater = false; // Update the clicked object m_clickedObject.type = Rendering::AtomType; m_clickedObject.molecule = m_molecule; m_clickedObject.index = firstIndex; // Emit changed signal m_molecule->emitChanged(changes); e->accept(); } Vector3 rotateLigandCoords(Vector3 in, Vector3 centerVector, Vector3 outVector) { if (centerVector.norm() == 0.0 || outVector.norm() == 0.0) return in; Vector3 axis = centerVector.cross(outVector); if (axis.norm() < 1e-12) { // vectors are parallel, let's pick an arbitrary // perpendicular axis Matrix3 rotx = Eigen::AngleAxisd(M_PI / 2.0, Vector3(1.0, 0.0, 0.0)).toRotationMatrix(); Matrix3 roty = Eigen::AngleAxisd(M_PI / 2.0, Vector3(0.0, 1.0, 0.0)).toRotationMatrix(); axis = centerVector.cross(rotx * outVector); if (axis.norm() < 1e-12) axis = centerVector.cross(roty * outVector); } axis.normalize(); double cosine = centerVector.dot(outVector) / centerVector.norm() / outVector.norm(); double angle = (abs(cosine) < 1.0) ? acos(cosine) : 0.0; Matrix3 rot = Eigen::AngleAxisd(angle, axis).toRotationMatrix(); return rot * in; } Matrix3 applyKabsch(std::vector templatePoints, std::vector moleculePoints) { assert(templatePoints.size() == moleculePoints.size()); MatrixX TP(templatePoints.size(), 3); MatrixX MP(templatePoints.size(), 3); for (size_t i = 0; i < templatePoints.size(); i++) { TP.row(i) = templatePoints[i]; MP.row(i) = moleculePoints[i]; } Matrix3 H = TP.transpose() * MP; Eigen::JacobiSVD svd(H, Eigen::ComputeFullU | Eigen::ComputeFullV); MatrixX U = svd.matrixU(); Matrix3 V = svd.matrixV(); Matrix3 Idd = Matrix3::Identity(); Idd(2, 2) = copysign(1.0, (V * U.transpose()).determinant()); Matrix3 r = V * Idd * U.transpose(); return r; } void TemplateTool::atomLeftClick(QMouseEvent*) { size_t selectedIndex = m_clickedObject.index; // if it's a valid selected atom and a hydrogen or dummy atom if (m_molecule->atom(selectedIndex).isValid() && (m_molecule->atomicNumber(selectedIndex) == 1 || m_molecule->atomicNumber(selectedIndex) == 0)) { m_toolWidget->selectedUIDs().push_back( m_molecule->atomUniqueId(selectedIndex)); if (static_cast(m_toolWidget->selectedUIDs().size()) != m_toolWidget->denticity()) return; // Get the ligand template // - check if we should use the clipboard // - otherwise use the template Molecule templateMolecule; if (m_toolWidget->ligandString() == tr("Clipboard")) { const QMimeData* mimeData(QApplication::clipboard()->mimeData()); if (!mimeData) { return; } // Try to find a reader that can handle the available mime-types. Io::FileFormatManager& mgr = Io::FileFormatManager::instance(); QStringList mimeTypes(mimeData->formats()); Io::FileFormat* pastedFormat = nullptr; QByteArray pastedData; Io::FileFormat::Operations ops(Io::FileFormat::Read | Io::FileFormat::String); foreach (const QString& mimeType, mimeTypes) { if ((pastedFormat = mgr.newFormatFromMimeType(mimeType.toStdString(), ops))) { pastedData = mimeData->data(mimeType); break; } } // No mime-type match, default to cjson. if (!pastedFormat && mimeData->hasText()) { pastedFormat = new Io::CjsonFormat; pastedData = mimeData->text().toLatin1(); } if (pastedFormat == nullptr) return; // we have a format, so try to insert the new bits into the molecule bool success = pastedFormat->readString( std::string(pastedData.constData(), pastedData.size()), templateMolecule); if (!success) return; } else { QString path; if (m_toolWidget->ligandString().endsWith(".cjson")) { // we already have the full path .. from the insert browser path = m_toolWidget->ligandString(); } else { path = ":/templates/ligands/" + m_toolWidget->ligandString() + ".cjson"; } QFile templ(path); if (!templ.open(QFile::ReadOnly | QFile::Text)) return; QTextStream templateStream(&templ); CjsonFormat ff; if (!ff.readString(templateStream.readAll().toStdString(), templateMolecule)) return; } // Find dummy atom in template and get all necessary info // for haptic ligands, we pick the dummy atom that's // furthest from the centroid of the carbon atoms Vector3 centroid(0.0, 0.0, 0.0); unsigned carbonCount = 0; for (size_t i = 0; i < templateMolecule.atomCount(); ++i) { if (templateMolecule.atomicNumber(i) == 6) { carbonCount++; centroid += templateMolecule.atomPosition3d(i); } } if (carbonCount > 1) centroid = centroid / carbonCount; size_t templateDummyIndex = 0; std::vector templateLigandIndices; std::vector templateLigandUIDs; float maxDistance = 0.0; for (size_t i = 0; i < templateMolecule.atomCount(); ++i) { // in some ligands (e.g., haptic) we might have two dummy atoms // so we only select the one furthest from the ligand centroid if (templateMolecule.atomicNumber(i) == 0) { Vector3 delta = templateMolecule.atomPosition3d(i) - centroid; if (delta.squaredNorm() < maxDistance) continue; // too close to the centroid maxDistance = delta.squaredNorm(); templateDummyIndex = i; templateLigandIndices.clear(); templateLigandUIDs.clear(); for (const auto& bond : templateMolecule.bonds(i)) { size_t newIndex = bond.getOtherAtom(i).index(); templateLigandIndices.push_back(newIndex); templateLigandUIDs.push_back(templateMolecule.atomUniqueId(newIndex)); } } } // Find center atom in our current molecule and get all necessary info // - first check to see if there is a bond Vector3 moleculeLigandOutVector(0.0, 0.0, 0.0); Vector3 displacement(0.0, 0.0, 0.0); Vector3 centerPosition = m_molecule->atomPosition3d(selectedIndex); size_t moleculeCenterIndex = selectedIndex; size_t moleculeCenterUID = m_molecule->atomUniqueId(moleculeCenterIndex); if (m_molecule->bonds(selectedIndex).size() != 0) { moleculeCenterIndex = m_molecule->bonds(selectedIndex)[0].getOtherAtom(selectedIndex).index(); moleculeCenterUID = m_molecule->atomUniqueId(moleculeCenterIndex); for (size_t UID : m_toolWidget->selectedUIDs()) { size_t index = m_molecule->atomByUniqueId(UID).index(); Vector3 newPos = m_molecule->atomPosition3d(index); moleculeLigandOutVector += newPos - m_molecule->atomPosition3d(moleculeCenterIndex); } // Estimate and try to realize bond distances for (size_t i = 0; i < templateLigandIndices.size(); i++) { unsigned char ligandAtomicNumber = templateMolecule.atomicNumber(templateLigandIndices[i]); ligandAtomicNumber = (ligandAtomicNumber == 0) ? 6 : ligandAtomicNumber; // Estimate as the sum of covalent radii double bondDistance = Elements::radiusCovalent(ligandAtomicNumber) + Elements::radiusCovalent( m_molecule->atomicNumber(moleculeCenterIndex)); Vector3 inVector = templateMolecule.atomPosition3d(templateDummyIndex) - templateMolecule.atomPosition3d(templateLigandIndices[i]); Vector3 correctionVector = inVector; correctionVector.normalize(); correctionVector *= bondDistance - inVector.norm(); displacement += correctionVector; } displacement *= 1.0 / templateLigandIndices.size(); } else { // direction can be random displacement = Eigen::Vector3d::Random(); } Vector3 newPos = templateMolecule.atomPosition3d(templateDummyIndex) + displacement; templateMolecule.setAtomPosition3d(templateDummyIndex, newPos); // Translate template so dummy atom is brought to center atom for (size_t i = 0; i < templateMolecule.atomCount(); i++) { if (i != templateDummyIndex) { templateMolecule.setAtomPosition3d( i, templateMolecule.atomPosition3d(i) - templateMolecule.atomPosition3d(templateDummyIndex) + m_molecule->atomPosition3d(moleculeCenterIndex)); } } if (m_molecule->bonds(selectedIndex).size() != 0) { // Create arrays with the points to align and apply Kabsch algorithm std::vector templateLigandPositions; for (size_t index : templateLigandIndices) templateLigandPositions.push_back( templateMolecule.atomPosition3d(index) - m_molecule->atomPosition3d(moleculeCenterIndex)); std::vector moleculeLigandPositions; for (size_t UID : m_toolWidget->selectedUIDs()) moleculeLigandPositions.push_back( m_molecule->atomPosition3d(m_molecule->atomByUniqueId(UID).index()) - m_molecule->atomPosition3d(moleculeCenterIndex)); Matrix3 rotation = applyKabsch(templateLigandPositions, moleculeLigandPositions); for (size_t i = 0; i < templateMolecule.atomCount(); i++) { if (i != templateDummyIndex) { templateMolecule.setAtomPosition3d( i, rotation * (templateMolecule.atomPosition3d(i) - m_molecule->atomPosition3d(moleculeCenterIndex)) + m_molecule->atomPosition3d(moleculeCenterIndex)); } } // Rotate partially aligned template to align "out" vectors Vector3 templateLigandOutVector(0.0, 0.0, 0.0); for (size_t index : templateLigandIndices) { Vector3 pos = templateMolecule.atomPosition3d(index); templateLigandOutVector += pos - m_molecule->atomPosition3d(moleculeCenterIndex); } for (size_t i = 0; i < templateMolecule.atomCount(); i++) { if (templateMolecule.atomicNumber(i) != 0) { templateMolecule.setAtomPosition3d( i, rotateLigandCoords( templateMolecule.atomPosition3d(i) - m_molecule->atomPosition3d(moleculeCenterIndex), templateLigandOutVector, moleculeLigandOutVector) + m_molecule->atomPosition3d(moleculeCenterIndex)); } } } // Remove dummy atoms for (size_t i = 0; i < templateMolecule.atomCount(); i++) { if (templateMolecule.atomicNumber(i) == 0) { templateMolecule.removeAtom(i); i--; // repeat index to counteract swapping } } std::vector templateNewLigandIndices; for (size_t UID : templateLigandUIDs) { auto atom = templateMolecule.atomByUniqueId(UID); if (atom.isValid()) templateNewLigandIndices.push_back(atom.index()); } // Remove selected atoms and insert ligand // (unless there wasn't a bond to begin with) if (m_molecule->bonds(selectedIndex).size() != 0) { for (size_t UID : m_toolWidget->selectedUIDs()) m_molecule->removeAtom(m_molecule->atomByUniqueId(UID).index()); } size_t moleculeBaseIndex = m_molecule->atomCount(); m_molecule->appendMolecule(templateMolecule, tr("Insert Ligand")); // Create new bonds size_t moleculeCenterNewIndex = m_molecule->atomByUniqueId(moleculeCenterUID).index(); for (size_t index : templateNewLigandIndices) m_molecule->addBond(index + moleculeBaseIndex, moleculeCenterNewIndex); m_toolWidget->selectedUIDs().clear(); } } void TemplateTool::atomRightClick(QMouseEvent* e) { e->accept(); m_molecule->removeAtom(m_clickedObject.index); m_molecule->emitChanged(Molecule::Atoms | Molecule::Removed); } void TemplateTool::atomLeftDrag(QMouseEvent*) { // by default, don't allow drags for bonds return; } } // namespace QtPlugins } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/templatetool/templatetool.h000066400000000000000000000060731474375334400255740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_TEMPLATE_H #define AVOGADRO_QTPLUGINS_TEMPLATE_H #include #include #include #include #include namespace Avogadro { namespace QtPlugins { class TemplateToolWidget; /** * @class TemplateTool templatetool.h * @brief The Template tool inserts fragments, including metal centers. * @author Geoffrey R. Hutchison, Aritz, Erkiaga */ class TemplateTool : public QtGui::ToolPlugin { Q_OBJECT public: explicit TemplateTool(QObject* parent_ = NULL); ~TemplateTool(); QString name() const override { return tr("Template tool"); } QString description() const override { return tr("Template tool"); } unsigned char priority() const override { return 21; } QAction* activateAction() const override { return m_activateAction; } QWidget* toolWidget() const override; void setIcon(bool darkTheme = false) override; void setMolecule(QtGui::Molecule* mol) override { if (mol) m_molecule = mol->undoMolecule(); } void setEditMolecule(QtGui::RWMolecule* mol) override { m_molecule = mol; } void setGLWidget(QtOpenGL::GLWidget* widget) override { m_glWidget = widget; } void setGLRenderer(Rendering::GLRenderer* renderer) override { m_renderer = renderer; } QUndoCommand* mousePressEvent(QMouseEvent* e) override; QUndoCommand* mouseReleaseEvent(QMouseEvent* e) override; QUndoCommand* mouseMoveEvent(QMouseEvent* e) override; QUndoCommand* keyPressEvent(QKeyEvent* e) override; void draw(Rendering::GroupNode& node) override; private slots: void clearKeyPressBuffer() { m_keyPressBuffer.clear(); } private: /** * Update the currently pressed buttons, accounting for modifier keys. * @todo Account for modifier keys. */ void updatePressedButtons(QMouseEvent*, bool release); /** * Reset all state for this tool. */ void reset(); void emptyLeftClick(QMouseEvent* e); void atomLeftClick(QMouseEvent* e); void bondLeftClick(QMouseEvent* e); void atomRightClick(QMouseEvent* e); void bondRightClick(QMouseEvent* e); void atomLeftDrag(QMouseEvent* e); QAction* m_activateAction; QtGui::RWMolecule* m_molecule; QtOpenGL::GLWidget* m_glWidget; Rendering::GLRenderer* m_renderer; TemplateToolWidget* m_toolWidget; Rendering::Identifier m_clickedObject; Rendering::Identifier m_newObject; Rendering::Identifier m_bondedAtom; Qt::MouseButtons m_pressedButtons; QPoint m_clickPosition; unsigned char m_clickedAtomicNumber; bool m_bondAdded; bool m_fixValenceLater; QString m_keyPressBuffer; Real m_bondDistance; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_NAVIGATOR_H avogadrolibs-1.100.0/avogadro/qtplugins/templatetool/templatetoolwidget.cpp000066400000000000000000000354051474375334400273340ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "templatetoolwidget.h" #include "ui_templatetoolwidget.h" #include #include #include #include #include #include #include #include namespace { // The ItemData of the "Other" entry in the combo box const int ELEMENT_SELECTOR_TAG = 255; } // namespace namespace Avogadro { namespace QtPlugins { enum TabType { Elements = 0, Ligands = 1, FunctionalGroups = 2 }; enum LigandType { Monodentate = 0, Bidentate = 1, Tridentate = 2, Tetradentate = 3, Hexadentate = 4, Haptic = 5, Clipboard = 6 }; TemplateToolWidget::TemplateToolWidget(QWidget* parent_) : QWidget(parent_), m_ui(new Ui::TemplateToolWidget), m_elementSelector(nullptr), m_fragmentDialog(nullptr), m_currentElement(26) { m_ui->setupUi(this); buildElements(); // Get default options QSettings settings; settings.beginGroup("templatetool"); unsigned int currentElement = settings.value("element", 26).toUInt(); selectElement(currentElement); // In the same order of the coordinationComboBox // append ".png" for the icon and ".cjson" for the template m_centers << "1-lin" << "2-lin" << "3-tpl" << "4-tet" << "4-sqp" << "5-tbp" << "5-spy" << "6-oct" << "6-tpr" << "7-pbp" << "8-sqa"; connect(m_ui->elementComboBox, SIGNAL(currentIndexChanged(int)), this, SLOT(elementChanged(int))); connect(m_ui->coordinationComboBox, SIGNAL(currentIndexChanged(int)), this, SLOT(coordinationChanged(int))); connect(m_ui->typeComboBox, SIGNAL(currentIndexChanged(int)), this, SLOT(typeChanged(int))); connect(m_ui->ligandComboBox, SIGNAL(currentIndexChanged(int)), this, SLOT(ligandChanged(int))); connect(m_ui->groupComboBox, SIGNAL(currentIndexChanged(int)), this, SLOT(groupChanged(int))); // default coordination = octahedral QString currentCoord = settings.value("coordination", "6-oct").toString(); int index = m_centers.indexOf(currentCoord); if (index < 0) index = 7; // octahedral m_ui->coordinationComboBox->setCurrentIndex(index); // update the preview icon QString iconPath = QString(":/icons/centers/%1.png").arg(currentCoord); m_ui->centerPreview->setIcon(QIcon(iconPath)); unsigned int ligandType = settings.value("ligandType", 0).toUInt(); m_ui->typeComboBox->setCurrentIndex(ligandType); // update the ligand combo box typeChanged(ligandType); groupChanged(0); } TemplateToolWidget::~TemplateToolWidget() { delete m_ui; } void TemplateToolWidget::setAtomicNumber(unsigned char atomicNum) { selectElement(atomicNum); if (m_elementSelector) m_elementSelector->setElement(static_cast(atomicNum)); } unsigned char TemplateToolWidget::atomicNumber() const { int curIndex = m_ui->elementComboBox->currentIndex(); QVariant itemData = m_ui->elementComboBox->itemData(curIndex); if (!itemData.isValid()) return 0; unsigned char atomicNum = static_cast(itemData.toUInt()); // "Other..." selected.... if (atomicNum == 0 && m_elementSelector) atomicNum = static_cast(m_elementSelector->element()); return atomicNum; } signed char TemplateToolWidget::formalCharge() const { return m_ui->chargeComboBox->currentIndex() - 0; } void TemplateToolWidget::setCoordination(unsigned char order) { if (order < m_ui->coordinationComboBox->count()) m_ui->coordinationComboBox->setCurrentIndex(static_cast(order)); } unsigned char TemplateToolWidget::coordination() const { return static_cast(m_ui->coordinationComboBox->currentIndex()); } QString TemplateToolWidget::coordinationString() const { return m_centers.at(m_ui->coordinationComboBox->currentIndex()); } int TemplateToolWidget::currentTab() const { return m_ui->tabWidget->currentIndex(); } unsigned char TemplateToolWidget::ligand() const { return static_cast(m_ui->ligandComboBox->currentIndex()); } QString TemplateToolWidget::ligandString() const { // first check which tab is open int tabIndex = m_ui->tabWidget->currentIndex(); if (tabIndex == TabType::FunctionalGroups) { // check if it's "other" if (m_ui->groupComboBox->currentText() == "Other…") return m_ligandPath; else return m_ui->groupComboBox->currentText(); } // tell us if we are using the clipboard if (m_ui->typeComboBox->currentIndex() == LigandType::Clipboard) return "Clipboard"; // check if it's "other" if (m_ligands.at(m_ui->ligandComboBox->currentIndex()).endsWith("other")) return m_ligandPath; return m_ligands.at(m_ui->ligandComboBox->currentIndex()); } void TemplateToolWidget::coordinationChanged(int index) { if (index < 0 || index > m_ui->coordinationComboBox->count()) return; // get the icon name QString iconName = m_centers[index]; QSettings settings; settings.setValue("templatetool/coordination", iconName); m_ui->centerPreview->setIcon(QIcon(":/icons/centers/" + iconName + ".png")); } void TemplateToolWidget::groupChanged(int index) { // get the current name from the text QString groupName = m_ui->groupComboBox->currentText(); QString iconName = groupName; m_denticity = 1; // check if it's "other" if (index == m_ui->groupComboBox->count() - 1) { QString path = "fragments/groups"; if (m_fragmentDialog != nullptr) m_fragmentDialog->deleteLater(); m_fragmentDialog = new QtGui::InsertFragmentDialog(this, path); connect(m_fragmentDialog, SIGNAL(performInsert(const QString&, bool)), this, SLOT(otherLigandInsert(const QString&, bool))); m_fragmentDialog->show(); return; } m_ui->groupPreview->setIcon(QIcon(":/icons/ligands/" + iconName + ".png")); } void TemplateToolWidget::ligandChanged(int index) { // we need to check if it's "other" if (index < 0 || index > m_ui->ligandComboBox->count() - 1) return; // get the icon name QString iconName = m_ligands[index]; // check if it's "other" if (iconName.endsWith("other")) { // figure out the ligand type and the resulting path // to the fragment files int ligandType = m_ui->typeComboBox->currentIndex(); QString path = "fragments"; switch (ligandType) { case LigandType::Monodentate: path += "/ligands/monodentate"; break; case LigandType::Bidentate: path += "/ligands/bidentate"; break; case LigandType::Tridentate: path += "/ligands/tridentate"; break; case LigandType::Tetradentate: path += "/ligands/tetradentate"; break; case LigandType::Hexadentate: path += "/ligands/hexadentate"; break; case LigandType::Haptic: path += "/ligands/haptic"; break; } if (m_fragmentDialog != nullptr) m_fragmentDialog->deleteLater(); m_fragmentDialog = new QtGui::InsertFragmentDialog(this, path); connect(m_fragmentDialog, SIGNAL(performInsert(const QString&, bool)), this, SLOT(otherLigandInsert(const QString&, bool))); m_fragmentDialog->show(); return; } m_ui->ligandPreview->setIcon(QIcon(":/icons/ligands/" + iconName + ".png")); } void TemplateToolWidget::otherLigandInsert(const QString& fileName, bool crystal) { if (m_fragmentDialog == nullptr) return; // get the ligand name QString ligandName = m_fragmentDialog->fileName(); m_ligandPath = ligandName; m_fragmentDialog->hide(); // it will be deleted later // update the icon from the filename (so check for .png) QString iconName = fileName; if (iconName.endsWith(".cjson")) iconName.chop(6); iconName += ".png"; // check which tab is active m_ui->ligandPreview->setIcon(QIcon(iconName)); } void TemplateToolWidget::typeChanged(int index) { QSettings settings; settings.beginGroup("templatetool"); settings.setValue("ligandType", index); m_selectedUIDs.clear(); m_ui->ligandComboBox->clear(); m_ligands = QStringList(); QStringList ligandNames; switch (index) { case LigandType::Monodentate: // Monodentate ligandNames << "ammine" << "aqua" << "carbonyl" << "cyano" << "phosphine" << "thiol" << tr("Other…"); m_ligands << "1-ammine" << "1-aqua" << "1-carbonyl" << "1-cyano" << "1-phosphine" << "1-thiol" << "1-other"; m_denticity = 1; break; case LigandType::Bidentate: // Bidentate ligandNames << "acetylacetonate" << "bipyridine" << "ethylenediamine" << tr("Other…"); m_ligands << "2-acetylacetonate" << "2-bipyridine" << "2-ethylenediamine" << "2-other"; m_denticity = 2; break; case LigandType::Tridentate: // Tridentate ligandNames << "terpyridine" << tr("Other…"); m_ligands << "3-terpyridine" << "3-other"; m_denticity = 3; break; case LigandType::Tetradentate: // Tetradentate ligandNames << "phthalocyanine" << "porphin" << "salen" << tr("Other…"); m_ligands << "4-phthalocyanine" << "4-porphin" << "4-salen" << "4-other"; m_denticity = 4; break; case LigandType::Hexadentate: // Hexadentate ligandNames << "edta" << tr("Other…"); m_ligands << "6-edta" << "6-other"; m_denticity = 6; break; case LigandType::Haptic: // Haptic ligandNames << "η2-ethylene" << "η5-cyclopentyl" << "η6-benzene" << tr("Other…"); m_ligands << "eta2-ethylene" << "eta5-cyclopentyl" << "eta6-benzene" << "eta-other"; m_denticity = 1; break; case LigandType::Clipboard: // Clipboard ligandNames << "clipboard"; m_ligands = ligandNames; // technically, we should check the clipboard m_denticity = 1; break; } m_ui->ligandComboBox->addItems(ligandNames); ligandChanged(0); } void TemplateToolWidget::elementChanged(int index) { QVariant itemData = m_ui->elementComboBox->itemData(index); if (itemData.isValid()) { if (itemData.toInt() == ELEMENT_SELECTOR_TAG) { if (!m_elementSelector) { m_elementSelector = new QtGui::PeriodicTableView(this); connect(m_elementSelector, SIGNAL(elementChanged(int)), this, SLOT(elementSelectedFromTable(int))); } m_elementSelector->setElement(m_currentElement); m_elementSelector->show(); } else { if (m_elementSelector) m_elementSelector->setElement(itemData.toInt()); m_currentElement = static_cast(itemData.toInt()); } } QSettings settings; settings.setValue("templatetool/element", m_currentElement); } void TemplateToolWidget::updateElementCombo() { // Build set of all elements: QList allElements; allElements << m_defaultElements; allElements << m_userElements; std::sort(allElements.begin(), allElements.end()); // Cache selected atomic number for later QVariant selectedData; int curIndex = m_ui->elementComboBox->currentIndex(); if (curIndex >= 0) selectedData = m_ui->elementComboBox->itemData(curIndex); // Clear and repopulate combo m_ui->elementComboBox->clear(); foreach (unsigned char atomicNum, allElements) { m_ui->elementComboBox->addItem( QString("%1 (%2)").arg(Core::Elements::name(atomicNum)).arg(atomicNum), atomicNum); } m_ui->elementComboBox->insertSeparator(m_ui->elementComboBox->count()); m_ui->elementComboBox->addItem(tr("Other…"), ELEMENT_SELECTOR_TAG); // Reset the element if it still exists selectElement(static_cast( selectedData.isValid() ? selectedData.toInt() : -1)); } void TemplateToolWidget::addUserElement(unsigned char element) { // Never add any of the common elements to the user list. if (m_defaultElements.contains(element)) return; // If the element is already in the user list, move it to the back of the // list. if (m_userElements.removeOne(element)) { m_userElements << element; return; } m_userElements << element; // Limit the number of user elements /// @todo Make this number of user elements configurable. while (m_userElements.size() > 15) m_userElements.pop_front(); updateElementCombo(); saveElements(); } void TemplateToolWidget::elementSelectedFromTable(int element) { addUserElement(static_cast(element)); selectElement(static_cast(element)); } void TemplateToolWidget::selectElement(unsigned char element) { int curIndex = element > 0 ? m_ui->elementComboBox->findData(element) : -1; if (curIndex >= 0) m_ui->elementComboBox->setCurrentIndex(curIndex); else { addUserElement(element); curIndex = m_ui->elementComboBox->findData(element); if (curIndex >= 0) m_ui->elementComboBox->setCurrentIndex(curIndex); // if we can't find it after adding it, something is very wrong! } } void TemplateToolWidget::buildElements() { // Common elements that are always shown in the combo box. if (m_defaultElements.isEmpty()) { m_defaultElements.append(15); // Phosphorus m_defaultElements.append(16); // Sulfur m_defaultElements.append(22); // Ti m_defaultElements.append(23); // V m_defaultElements.append(24); // Cr m_defaultElements.append(25); // Mn m_defaultElements.append(26); // Fe m_defaultElements.append(27); // Co m_defaultElements.append(28); // Ni m_defaultElements.append(29); // Cu m_defaultElements.append(30); // Zn } // User-added elements QVariantList userElementsVar = QSettings().value("templatetool/userElements").toList(); foreach (const QVariant& var, userElementsVar) m_userElements << static_cast(var.toUInt()); updateElementCombo(); } void TemplateToolWidget::saveElements() { QVariantList atomicNums; for (int i = 0; i < m_userElements.size(); ++i) atomicNums << QVariant(m_userElements[i]); QSettings().setValue("templatetool/userElements", atomicNums); } int TemplateToolWidget::denticity() const { return m_denticity; } std::vector& TemplateToolWidget::selectedUIDs() { return m_selectedUIDs; } } // namespace QtPlugins } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/templatetool/templatetoolwidget.h000066400000000000000000000041201474375334400267670ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_TEMPLATETOOLWIDGET_H #define AVOGADRO_QTPLUGINS_TEMPLATETOOLWIDGET_H #include namespace Avogadro { namespace QtGui { class PeriodicTableView; class InsertFragmentDialog; } // namespace QtGui namespace QtPlugins { namespace Ui { class TemplateToolWidget; } class TemplateToolWidget : public QWidget { Q_OBJECT public: explicit TemplateToolWidget(QWidget* parent_ = 0); ~TemplateToolWidget(); void setAtomicNumber(unsigned char atomicNum); unsigned char atomicNumber() const; signed char formalCharge() const; void setCoordination(unsigned char order); unsigned char coordination() const; QString coordinationString() const; unsigned char ligand() const; QString ligandString() const; int denticity() const; std::vector& selectedUIDs(); int currentTab() const; private slots: void elementChanged(int index); void updateElementCombo(); void addUserElement(unsigned char element); void elementSelectedFromTable(int element); void selectElement(unsigned char element); void coordinationChanged(int index); void typeChanged(int index); void ligandChanged(int index); void groupChanged(int index); void otherLigandInsert(const QString& fileName, bool crystal); private: void buildElements(); void buildBondOrders(); void saveElements(); Ui::TemplateToolWidget* m_ui; QtGui::InsertFragmentDialog* m_fragmentDialog; QtGui::PeriodicTableView* m_elementSelector; QList m_defaultElements; QList m_userElements; unsigned char m_currentElement; QStringList m_centers; QStringList m_ligands; QString m_ligandPath; int m_denticity; std::vector m_selectedUIDs; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_TEMPLATETOOLWIDGET_H avogadrolibs-1.100.0/avogadro/qtplugins/templatetool/templatetoolwidget.ui000066400000000000000000000403541474375334400271660ustar00rootroot00000000000000 Avogadro::QtPlugins::TemplateToolWidget 0 0 361 305 0 0 Form 326 285 2 320 256 Centers Element: 2 Hydrogen Carbon Iron Cobalt Qt::Horizontal 0 0 Formal Charge: 0 +1 +2 +3 +4 +5 +6 +7 Qt::Horizontal 0 0 Coordination: 184 16777215 6: Octahedral 7 2147483646 1: Linear 2: Linear 3: Trigonal Planar 4: Tetrahedral 4: Square Planar 5: Trigonal Bipyramidal 5: Square Pyramidal 6: Octahedral 6: Trigonal Prism 7: Pentagonal Bipyramidal 8: Square Antiprism Qt::Horizontal 0 20 64 64 Qt::Horizontal 0 20 Qt::Vertical 20 0 320 254 Ligands Type: Monodentate Bidentate Tridentate Tetradentate Hexadentate Haptic From Clipboard Qt::Horizontal 0 0 Ligand: Qt::Horizontal 0 0 64 64 Qt::Horizontal 0 20 Qt::Vertical 20 0 Groups Group: amide carboxylate ester ethylene ethyne nitro phenyl phosphate sulfonate Other… Qt::Horizontal 40 20 64 64 Qt::Horizontal 40 20 Qt::Vertical 20 40 avogadrolibs-1.100.0/avogadro/qtplugins/vanderwaals/000077500000000000000000000000001474375334400225025ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/vanderwaals/CMakeLists.txt000066400000000000000000000003031474375334400252360ustar00rootroot00000000000000avogadro_plugin(VanDerWaals "Van der Waals rendering scheme" ScenePlugin vanderwaals.h VanDerWaals vanderwaals.cpp "") target_link_libraries(VanDerWaals PRIVATE Avogadro::Rendering) avogadrolibs-1.100.0/avogadro/qtplugins/vanderwaals/vanderwaals.cpp000066400000000000000000000107351474375334400255230ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "vanderwaals.h" #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using Core::Elements; using QtGui::PluginLayerManager; using Rendering::GeometryNode; using Rendering::GroupNode; using Rendering::SphereGeometry; struct LayerVdW : Core::LayerData { QWidget* widget; float opacity; LayerVdW() { widget = nullptr; QSettings settings; opacity = settings.value("vdw/opacity", 1.0).toFloat(); } LayerVdW(std::string settings) { widget = nullptr; deserialize(settings); } LayerData* clone() final { return new LayerVdW(*this); } ~LayerVdW() override { if (widget) widget->deleteLater(); } std::string serialize() final { return std::to_string(opacity); } void deserialize(std::string text) final { std::stringstream ss(text); std::string aux; ss >> aux; opacity = std::stof(aux); } void setupWidget(VanDerWaals* slot) { if (!widget) { widget = new QWidget(qobject_cast(slot->parent())); auto* form = new QFormLayout; // Opacity auto* slider = new QSlider(Qt::Horizontal); slider->setRange(0, 100); slider->setTickInterval(1); slider->setValue(round(opacity * 100)); QObject::connect(slider, &QSlider::valueChanged, slot, &VanDerWaals::setOpacity); form->addRow(QObject::tr("Opacity:"), slider); widget->setLayout(form); } } }; VanDerWaals::VanDerWaals(QObject* p) : ScenePlugin(p) { m_layerManager = PluginLayerManager(m_name); QSettings settings; } VanDerWaals::~VanDerWaals() {} void VanDerWaals::process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) { m_layerManager.load(); // Add a sphere node to contain all of the VdW spheres. auto* geometry = new GeometryNode; node.addChild(geometry); auto* spheres = new SphereGeometry; spheres->identifier().molecule = &molecule; spheres->identifier().type = Rendering::AtomType; auto* translucentSpheres = new SphereGeometry; translucentSpheres->setRenderPass(Rendering::TranslucentPass); translucentSpheres->identifier().molecule = &molecule; translucentSpheres->identifier().type = Rendering::AtomType; auto selectedSpheres = new SphereGeometry; selectedSpheres->setOpacity(0.42); selectedSpheres->setRenderPass(Rendering::TranslucentPass); geometry->addDrawable(spheres); geometry->addDrawable(selectedSpheres); geometry->addDrawable(translucentSpheres); for (Index i = 0; i < molecule.atomCount(); ++i) { Core::Atom atom = molecule.atom(i); if (!m_layerManager.atomEnabled(i)) { continue; } unsigned char atomicNumber = atom.atomicNumber(); Vector3ub color = atom.color(); auto radius = static_cast(Elements::radiusVDW(atomicNumber)); auto* interface = m_layerManager.getSetting(m_layerManager.getLayerID(i)); float opacity = interface->opacity; if (opacity < 1.0f) { translucentSpheres->addSphere(atom.position3d().cast(), color, radius, i); translucentSpheres->setOpacity(opacity); } else { spheres->addSphere(atom.position3d().cast(), color, radius, i); } if (atom.selected()) { color = Vector3ub(0, 0, 255); radius += 0.3f; selectedSpheres->addSphere(atom.position3d().cast(), color, radius, i); } } } void VanDerWaals::setOpacity(int opacity) { m_opacity = static_cast(opacity) / 100.0f; auto* interface = m_layerManager.getSetting(); if (m_opacity != interface->opacity) { interface->opacity = m_opacity; emit drawablesChanged(); } QSettings settings; settings.setValue("vdw/opacity", m_opacity); } QWidget* VanDerWaals::setupWidget() { auto* interface = m_layerManager.getSetting(); interface->setupWidget(this); return interface->widget; } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/vanderwaals/vanderwaals.h000066400000000000000000000025751474375334400251730ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_VANDERWAALS_H #define AVOGADRO_QTPLUGINS_VANDERWAALS_H #include namespace Avogadro { namespace QtPlugins { /** * @brief Render the molecule as Van der Waals spheres. * @author Marcus D. Hanwell */ class VanDerWaals : public QtGui::ScenePlugin { Q_OBJECT public: explicit VanDerWaals(QObject* parent = nullptr); ~VanDerWaals() override; void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; QString name() const override { return tr("Van der Waals"); } QString description() const override { return tr("Simple display of VdW spheres."); } DefaultBehavior defaultBehavior() const override { return DefaultBehavior::False; } QWidget* setupWidget() override; bool hasSetupWidget() const override { return true; } public slots: void setOpacity(int opacity); private: std::string m_name = "Van der Waals"; QWidget* m_setupWidget = nullptr; float m_opacity = 1.0; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_VANDERWAALS_H avogadrolibs-1.100.0/avogadro/qtplugins/vibrations/000077500000000000000000000000001474375334400223535ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/vibrations/CMakeLists.txt000066400000000000000000000003231474375334400251110ustar00rootroot00000000000000set(plugin_srcs vibrationdialog.cpp vibrationmodel.cpp vibrations.cpp ) avogadro_plugin(Vibrations "Vibrations" ExtensionPlugin vibrations.h Vibrations "${plugin_srcs}" "vibrationdialog.ui" ) avogadrolibs-1.100.0/avogadro/qtplugins/vibrations/vibrationdialog.cpp000066400000000000000000000042441474375334400262400ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "vibrationdialog.h" #include "ui_vibrationdialog.h" #include "vibrationmodel.h" #include namespace Avogadro::QtPlugins { VibrationDialog::VibrationDialog(QWidget* parent_, Qt::WindowFlags f) : QDialog(parent_, f), m_ui(new Ui::VibrationDialog) { m_ui->setupUi(this); m_ui->tableView->verticalHeader()->setVisible(false); m_ui->tableView->horizontalHeader()->setSectionResizeMode( QHeaderView::Stretch); m_ui->tableView->setSelectionBehavior(QAbstractItemView::SelectRows); m_ui->tableView->setSelectionMode(QAbstractItemView::ExtendedSelection); connect(m_ui->amplitudeSlider, SIGNAL(sliderMoved(int)), SIGNAL(amplitudeChanged(int))); connect(m_ui->startButton, SIGNAL(clicked(bool)), SIGNAL(startAnimation())); connect(m_ui->stopButton, SIGNAL(clicked(bool)), SIGNAL(stopAnimation())); } VibrationDialog::~VibrationDialog() { delete m_ui; } void VibrationDialog::setMolecule(QtGui::Molecule* molecule) { if (m_ui->tableView->selectionModel()) { disconnect(m_ui->tableView->selectionModel(), SIGNAL(currentRowChanged(QModelIndex, QModelIndex)), this, SLOT(selectRow(QModelIndex))); } auto* model = new VibrationModel(this); model->setMolecule(molecule); m_ui->tableView->setModel(model); connect(m_ui->tableView->selectionModel(), SIGNAL(currentRowChanged(QModelIndex, QModelIndex)), SLOT(selectRow(QModelIndex))); Core::Array freqs = molecule->vibrationFrequencies(); for (size_t i = 0; i < freqs.size(); ++i) { if (freqs[i] > 0.5) { m_ui->tableView->selectRow(static_cast(i)); emit modeChanged(i); break; } } } int VibrationDialog::currentMode() const { return m_ui->tableView->currentIndex().row(); } void VibrationDialog::selectRow(QModelIndex idx) { emit modeChanged(idx.row()); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/vibrations/vibrationdialog.h000066400000000000000000000023411474375334400257010ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_VIBRATIONDIALOG_H #define AVOGADRO_QTPLUGINS_VIBRATIONDIALOG_H #include #include #include namespace Ui { class VibrationDialog; } namespace Avogadro { namespace QtPlugins { /** * @brief The VibrationDialog presents vibrational modes. */ class VibrationDialog : public QDialog { Q_OBJECT public: explicit VibrationDialog(QWidget* parent = nullptr, Qt::WindowFlags f = Qt::WindowFlags()); ~VibrationDialog() override; void setMolecule(QtGui::Molecule* molecule); int currentMode() const; protected slots: void selectRow(QModelIndex); signals: void modeChanged(int mode); void amplitudeChanged(int amplitude); void startAnimation(); void stopAnimation(); private: Ui::VibrationDialog* m_ui; }; } // End namespace QtPlugins } // End namespace Avogadro #endif // AVOGADRO_QTPLUGINS_VibrationDialog_H avogadrolibs-1.100.0/avogadro/qtplugins/vibrations/vibrationdialog.ui000066400000000000000000000055561474375334400261020ustar00rootroot00000000000000 VibrationDialog 0 0 500 600 Vibrational Modes 5 5 5 5 QAbstractItemView::NoEditTriggers false false true QAbstractItemView::ContiguousSelection QAbstractItemView::SelectRows Amplitude: 20 Qt::Horizontal QSlider::TicksBothSides 10 Qt::Horizontal 40 20 Start Animation Stop Animation avogadrolibs-1.100.0/avogadro/qtplugins/vibrations/vibrationmodel.cpp000066400000000000000000000061471474375334400261050ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "vibrationmodel.h" #include namespace Avogadro::QtPlugins { VibrationModel::VibrationModel(QObject* p) : QAbstractItemModel(p), m_molecule(nullptr), m_hasRaman(false) { } QModelIndex VibrationModel::parent(const QModelIndex&) const { return QModelIndex(); } int VibrationModel::rowCount(const QModelIndex& p) const { if (p.isValid() || !m_molecule) return 0; else return m_molecule->vibrationFrequencies().size(); } int VibrationModel::columnCount(const QModelIndex&) const { // do we have raman data? if (m_molecule && m_hasRaman) return 3; return 2; } Qt::ItemFlags VibrationModel::flags(const QModelIndex&) const { return Qt::ItemIsEnabled | Qt::ItemIsSelectable; } void VibrationModel::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; m_hasRaman = mol->vibrationRamanIntensities().size() > 0; } QVariant VibrationModel::headerData(int section, Qt::Orientation orientation, int role) const { if (role == Qt::DisplayRole) { if (orientation == Qt::Horizontal) { switch (section) { case 0: return QString("Frequency (cm⁻¹)"); case 1: return QString("Intensity (KM/mol)"); case 2: return QString("Raman Intensity (Å⁴/amu)"); } } } return QVariant(); } bool VibrationModel::setData(const QModelIndex&, const QVariant&, int) { return false; } QVariant VibrationModel::data(const QModelIndex& idx, int role) const { if (!idx.isValid() || idx.column() > 2 || !m_molecule || static_cast(m_molecule->vibrationFrequencies().size()) <= idx.row()) { return QVariant(); } if (role == Qt::DisplayRole) { switch (idx.column()) { case 0: if (static_cast(m_molecule->vibrationFrequencies().size()) > idx.row()) return m_molecule->vibrationFrequencies()[idx.row()]; else return "No value"; case 1: if (static_cast(m_molecule->vibrationIRIntensities().size()) > idx.row()) return m_molecule->vibrationIRIntensities()[idx.row()]; else return "No value"; case 2: if (static_cast(m_molecule->vibrationRamanIntensities().size()) > idx.row()) return m_molecule->vibrationRamanIntensities()[idx.row()]; else return "No value"; default: return "Invalid"; } } return QVariant(); } QModelIndex VibrationModel::index(int row, int column, const QModelIndex& p) const { if (!p.isValid()) if (row >= 0 && m_molecule && row < static_cast(m_molecule->vibrationFrequencies().size())) return createIndex(row, column); return QModelIndex(); } void VibrationModel::clear() {} } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/vibrations/vibrationmodel.h000066400000000000000000000027361474375334400255520ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_VIBRATIONMODEL_H #define AVOGADRO_QTPLUGINS_VIBRATIONMODEL_H #include namespace Avogadro { namespace QtGui { class Molecule; } namespace QtPlugins { class VibrationModel : public QAbstractItemModel { public: explicit VibrationModel(QObject* p = nullptr); QModelIndex parent(const QModelIndex& child) const override; int rowCount(const QModelIndex& parent) const override; int columnCount(const QModelIndex& parent) const override; Qt::ItemFlags flags(const QModelIndex& index) const override; QVariant headerData(int section, Qt::Orientation orientation, int role) const override; bool setData(const QModelIndex& index, const QVariant& value, int role) override; QVariant data(const QModelIndex& index, int role) const override; QModelIndex index(int row, int column, const QModelIndex& parent = QModelIndex()) const override; void clear(); void setMolecule(QtGui::Molecule* mol); signals: public slots: private: QtGui::Molecule* m_molecule; bool m_hasRaman; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_VIBRATIONMODEL_H avogadrolibs-1.100.0/avogadro/qtplugins/vibrations/vibrations.cpp000066400000000000000000000172011474375334400252400ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "vibrations.h" #include "vibrationdialog.h" #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { Vibrations::Vibrations(QObject* p) : ExtensionPlugin(p), m_molecule(nullptr), m_dialog(nullptr), m_timer(nullptr), m_mode(0), m_amplitude(20) { auto* action = new QAction(this); action->setEnabled(false); action->setText(tr("Vibrational Modes…")); connect(action, SIGNAL(triggered()), SLOT(openDialog())); m_actions.push_back(action); } Vibrations::~Vibrations() {} QList Vibrations::actions() const { return m_actions; } QStringList Vibrations::menuPath(QAction*) const { QStringList path; path << tr("&Analysis"); return path; } void Vibrations::setMolecule(QtGui::Molecule* mol) { if (mol == nullptr) return; if (m_molecule != nullptr) m_molecule->disconnect(this); bool isVibrational(false); if (mol->vibrationFrequencies().size()) isVibrational = true; m_actions[0]->setEnabled(isVibrational); m_molecule = mol; if (m_dialog) m_dialog->setMolecule(mol); if (isVibrational) openDialog(); connect(m_molecule, SIGNAL(changed(unsigned int)), SLOT(moleculeChanged(unsigned int))); } void Vibrations::moleculeChanged(unsigned int changes) { if (m_molecule == nullptr) return; bool currentVibrational = m_actions[0]->isEnabled(); bool isVibrational = (m_molecule->vibrationFrequencies().size() > 0); if (currentVibrational != isVibrational) { m_actions[0]->setEnabled(isVibrational); if (m_dialog) m_dialog->setMolecule(m_molecule); // update the dialog if (isVibrational) openDialog(); } } void Vibrations::registerCommands() { emit registerCommand("showVibrations", tr("Show the vibrational modes dialog.")); emit registerCommand("setVibrationalMode", tr("Set the vibrational mode.")); emit registerCommand("setVibrationalAmplitude", tr("Set the vibrational amplitude.")); emit registerCommand("startVibrationAnimation", tr("Start the vibrational animation.")); emit registerCommand("stopVibrationAnimation", tr("Stop the vibrational animation.")); } bool Vibrations::handleCommand(const QString& command, const QVariantMap& options) { if (m_molecule == nullptr) return false; // No molecule to handle the command. if (command == "showVibrations") { openDialog(); return true; } else if (command == "setVibrationalMode") { if (options.contains("mode")) { setMode(options["mode"].toInt()); return true; } } else if (command == "setVibrationalAmplitude") { if (options.contains("amplitude")) { setAmplitude(options["amplitude"].toInt()); return true; } } else if (command == "startVibrationAnimation") { startVibrationAnimation(); return true; } else if (command == "stopVibrationAnimation") { stopVibrationAnimation(); return true; } return false; } void Vibrations::setMode(int mode) { if (mode >= 0 && mode < static_cast(m_molecule->vibrationFrequencies().size())) { m_mode = mode; // Now calculate the frames and set them on the molecule. m_molecule->setCoordinate3d(0); Core::Array atomPositions = m_molecule->atomPositions3d(); Core::Array atomDisplacements = m_molecule->vibrationLx(mode); // TODO: needs an option (show forces or not) double factor = 0.01 * m_amplitude; Index atom = 0; for (Vector3& v : atomDisplacements) { v *= 10.0 * factor; m_molecule->setForceVector(atom, v); ++atom; } int frames = 5; // TODO: needs an option int frameCounter = 0; m_molecule->clearCoordinate3d(); m_molecule->setCoordinate3d(atomPositions, frameCounter++); // Current coords + displacement. for (int i = 1; i <= frames; ++i) { Core::Array framePositions; for (atom = 0; atom < m_molecule->atomCount(); ++atom) { framePositions.push_back(atomPositions[atom] + atomDisplacements[atom] * factor * (double(i) / frames)); } m_molecule->setCoordinate3d(framePositions, frameCounter++); } // + displacement back to original. for (int i = frames - 1; i >= 0; --i) { Core::Array framePositions; for (atom = 0; atom < m_molecule->atomCount(); ++atom) { framePositions.push_back(atomPositions[atom] + atomDisplacements[atom] * factor * (double(i) / frames)); } m_molecule->setCoordinate3d(framePositions, frameCounter++); } // Current coords - displacement. for (int i = 1; i <= frames; ++i) { Core::Array framePositions; for (atom = 0; atom < m_molecule->atomCount(); ++atom) { framePositions.push_back(atomPositions[atom] - atomDisplacements[atom] * factor * (double(i) / frames)); } m_molecule->setCoordinate3d(framePositions, frameCounter++); } // - displacement back to original. for (int i = frames - 1; i >= 0; --i) { Core::Array framePositions; for (atom = 0; atom < m_molecule->atomCount(); ++atom) { framePositions.push_back(atomPositions[atom] - atomDisplacements[atom] * factor * (double(i) / frames)); } m_molecule->setCoordinate3d(framePositions, frameCounter++); } } } void Vibrations::setAmplitude(int amplitude) { m_amplitude = amplitude; setMode(m_mode); } void Vibrations::startVibrationAnimation() { // First calculate our frames, and then start our timer. m_totalFrames = m_molecule->coordinate3dCount(); m_currentFrame = 0; if (!m_timer) { m_timer = new QTimer(this); connect(m_timer, SIGNAL(timeout()), SLOT(advanceFrame())); } if (!m_timer->isActive()) { m_timer->start(50); } } void Vibrations::stopVibrationAnimation() { if (m_timer && m_timer->isActive()) { m_timer->stop(); m_molecule->setCoordinate3d(0); m_currentFrame = 0; m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Added); } } void Vibrations::openDialog() { if (!m_dialog) { m_dialog = new VibrationDialog(qobject_cast(parent())); connect(m_dialog, SIGNAL(modeChanged(int)), SLOT(setMode(int))); connect(m_dialog, SIGNAL(amplitudeChanged(int)), SLOT(setAmplitude(int))); connect(m_dialog, SIGNAL(startAnimation()), SLOT(startVibrationAnimation())); connect(m_dialog, SIGNAL(stopAnimation()), SLOT(stopVibrationAnimation())); } if (m_molecule) m_dialog->setMolecule(m_molecule); m_dialog->show(); } void Vibrations::advanceFrame() { if (++m_currentFrame >= m_totalFrames) m_currentFrame = 0; m_molecule->setCoordinate3d(m_currentFrame); m_molecule->emitChanged(QtGui::Molecule::Atoms | QtGui::Molecule::Added); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/vibrations/vibrations.h000066400000000000000000000033121474375334400247030ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_VIBRATIONS_H #define AVOGADRO_QTPLUGINS_VIBRATIONS_H #include class QAction; class QDialog; class QTimer; namespace Avogadro { namespace QtPlugins { class VibrationDialog; /** * @brief The Vibration plugin handles vibration animations. */ class Vibrations : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit Vibrations(QObject* parent = nullptr); ~Vibrations() override; QString name() const override { return tr("Vibrations"); } QString description() const override { return tr("Display vibrational modes."); } QList actions() const override; QStringList menuPath(QAction*) const override; void setMolecule(QtGui::Molecule* mol) override; bool handleCommand(const QString& command, const QVariantMap& options) override; void registerCommands() override; public slots: void setMode(int mode); void setAmplitude(int amplitude); void startVibrationAnimation(); void stopVibrationAnimation(); void openDialog(); void moleculeChanged(unsigned int changes); private slots: void advanceFrame(); private: QList m_actions; QtGui::Molecule* m_molecule; VibrationDialog* m_dialog; QTimer* m_timer; int m_currentFrame; int m_totalFrames; int m_mode; int m_amplitude; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_VIBRATIONS_H avogadrolibs-1.100.0/avogadro/qtplugins/vrml/000077500000000000000000000000001474375334400211535ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/vrml/CMakeLists.txt000066400000000000000000000002451474375334400237140ustar00rootroot00000000000000avogadro_plugin(VRML "Render the scene using VRML." ExtensionPlugin vrml.h VRML "vrml.cpp" "" ) target_link_libraries(VRML PRIVATE Avogadro::Rendering) avogadrolibs-1.100.0/avogadro/qtplugins/vrml/vrml.cpp000066400000000000000000000036651474375334400226510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "vrml.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { VRML::VRML(QObject* p) : Avogadro::QtGui::ExtensionPlugin(p), m_molecule(nullptr), m_scene(nullptr), m_camera(nullptr), m_action(new QAction(tr("VRML Render…"), this)) { connect(m_action, SIGNAL(triggered()), SLOT(render())); } VRML::~VRML() { } QList VRML::actions() const { QList result; return result << m_action; } QStringList VRML::menuPath(QAction*) const { return QStringList() << tr("&File") << tr("&Export"); } void VRML::setMolecule(QtGui::Molecule* mol) { m_molecule = mol; } void VRML::setScene(Rendering::Scene* scene) { m_scene = scene; } void VRML::setCamera(Rendering::Camera* camera) { m_camera = camera; } void VRML::render() { if (!m_scene || !m_camera) return; QString filename = QFileDialog::getSaveFileName( qobject_cast(parent()), tr("Save File"), QDir::homePath(), tr("VRML (*.wrl);;Text file (*.txt)")); QFile file(filename); if (!file.open(QIODevice::WriteOnly)) return; QTextStream fileStream(&file); Rendering::VRMLVisitor visitor(*m_camera); visitor.begin(); m_scene->rootNode().accept(visitor); fileStream << visitor.end().c_str(); file.close(); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/qtplugins/vrml/vrml.h000066400000000000000000000024761474375334400223150ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_VRML_H #define AVOGADRO_QTPLUGINS_VRML_H #include #include namespace Avogadro { namespace QtPlugins { /** * @brief The VRML class performs VRML operations */ class VRML : public QtGui::ExtensionPlugin { Q_OBJECT public: explicit VRML(QObject* p = nullptr); ~VRML() override; QString name() const override { return tr("VRML"); } QString description() const override { return tr("Render the scene using VRML."); } QList actions() const override; QStringList menuPath(QAction* action) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; void setScene(Rendering::Scene* scene) override; void setCamera(Rendering::Camera* camera) override; private slots: void render(); private: QtGui::Molecule* m_molecule; Rendering::Scene* m_scene; Rendering::Camera* m_camera; QAction* m_action; }; } // namespace QtPlugins } // namespace Avogadro #endif // AVOGADRO_QTPLUGINS_VRML_H avogadrolibs-1.100.0/avogadro/qtplugins/wireframe/000077500000000000000000000000001474375334400221545ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/wireframe/CMakeLists.txt000066400000000000000000000002651474375334400247170ustar00rootroot00000000000000avogadro_plugin(Wireframe "Wireframe rendering scheme" ScenePlugin wireframe.h Wireframe wireframe.cpp "") target_link_libraries(Wireframe PRIVATE Avogadro::Rendering) avogadrolibs-1.100.0/avogadro/qtplugins/wireframe/wireframe.cpp000066400000000000000000000154711474375334400246510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "wireframe.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::QtPlugins { using Core::Array; using Core::Elements; using QtGui::PluginLayerManager; using Rendering::GeometryNode; using Rendering::GroupNode; using Rendering::LineStripGeometry; using Rendering::SphereGeometry; struct LayerWireframe : Core::LayerData { QWidget* widget; bool multiBonds; bool showHydrogens; float lineWidth; LayerWireframe() { widget = nullptr; QSettings settings; multiBonds = settings.value("wireframe/multiBonds", true).toBool(); showHydrogens = settings.value("wireframe/showHydrogens", true).toBool(); lineWidth = settings.value("wireframe/lineWidth", 1.0).toDouble(); } LayerWireframe(std::string settings) { widget = nullptr; deserialize(settings); } LayerData* clone() final { return new LayerWireframe(*this); } ~LayerWireframe() override { if (widget) widget->deleteLater(); } std::string serialize() final { return boolToString(multiBonds) + " " + boolToString(showHydrogens) + " " + std::to_string(lineWidth); } void deserialize(std::string text) final { std::stringstream ss(text); std::string aux; ss >> aux; multiBonds = stringToBool(aux); ss >> aux; showHydrogens = stringToBool(aux); ss >> aux; lineWidth = std::stof(aux); } void setupWidget(Wireframe* slot) { if (!widget) { widget = new QWidget(qobject_cast(slot->parent())); auto* v = new QVBoxLayout; // line width auto* spin = new QDoubleSpinBox; spin->setRange(0.5, 5.0); spin->setSingleStep(0.25); spin->setDecimals(2); spin->setValue(lineWidth); QObject::connect(spin, SIGNAL(valueChanged(double)), slot, SLOT(setWidth(double))); auto* form = new QFormLayout; form->addRow(QObject::tr("Line width:"), spin); v->addLayout(form); // options auto* check = new QCheckBox(QObject::tr("Show multiple bonds")); check->setChecked(multiBonds); QObject::connect(check, &QCheckBox::clicked, slot, &Wireframe::multiBonds); v->addWidget(check); check = new QCheckBox(QObject::tr("Show hydrogens")); check->setChecked(showHydrogens); QObject::connect(check, &QCheckBox::clicked, slot, &Wireframe::showHydrogens); v->addWidget(check); v->addStretch(1); widget->setLayout(v); } } }; Wireframe::Wireframe(QObject* p) : ScenePlugin(p), m_group(nullptr) { m_layerManager = PluginLayerManager(m_name); } Wireframe::~Wireframe() {} void Wireframe::process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) { m_layerManager.load(); // Add a node to contain all of the lines. m_group = &node; auto* geometry = new GeometryNode; node.addChild(geometry); auto* lines = new LineStripGeometry; lines->identifier().molecule = &molecule; lines->identifier().type = Rendering::BondType; // add tiny atom sites for selection auto atoms = new SphereGeometry; atoms->identifier().molecule = &molecule; atoms->identifier().type = Rendering::AtomType; auto selectedAtoms = new SphereGeometry; selectedAtoms->setOpacity(0.42); Vector3ub selectedColor(0, 0, 255); geometry->addDrawable(lines); geometry->addDrawable(atoms); geometry->addDrawable(selectedAtoms); for (Index i = 0; i < molecule.bondCount(); ++i) { Core::Bond bond = molecule.bond(i); if (!m_layerManager.bondEnabled(bond.atom1().index(), bond.atom2().index())) { continue; } auto* interface1 = m_layerManager.getSetting( m_layerManager.getLayerID(bond.atom1().index())); auto* interface2 = m_layerManager.getSetting( m_layerManager.getLayerID(bond.atom2().index())); if (!interface1->showHydrogens && !interface2->showHydrogens && (bond.atom1().atomicNumber() == 1 || bond.atom2().atomicNumber() == 1)) { continue; } Vector3f pos1 = bond.atom1().position3d().cast(); Vector3f pos2 = bond.atom2().position3d().cast(); Vector3ub color1(Elements::color(bond.atom1().atomicNumber())); Vector3ub color2(Elements::color(bond.atom2().atomicNumber())); Array points; Array colors; points.push_back(pos1); points.push_back(pos2); colors.push_back(color1); colors.push_back(color2); float lineWidth = interface1->lineWidth; if (interface1->multiBonds || interface2->multiBonds) lineWidth *= bond.order(); lines->addLineStrip(points, colors, lineWidth); // add small spheres to allow the selection tool to work // smaller than this gets ignored atoms->addSphere(pos1, color1, 0.001f, bond.atom1().index()); atoms->addSphere(pos2, color2, 0.001f, bond.atom2().index()); if (bond.atom1().selected()) selectedAtoms->addSphere(pos1, selectedColor, 0.3f, i); if (bond.atom2().selected()) selectedAtoms->addSphere(pos2, selectedColor, 0.3f, i); } } QWidget* Wireframe::setupWidget() { auto* interface = m_layerManager.getSetting(); interface->setupWidget(this); return interface->widget; } void Wireframe::multiBonds(bool show) { auto* interface = m_layerManager.getSetting(); if (show != interface->multiBonds) { interface->multiBonds = show; emit drawablesChanged(); } QSettings settings; settings.setValue("wireframe/multiBonds", show); } void Wireframe::showHydrogens(bool show) { auto* interface = m_layerManager.getSetting(); if (show != interface->showHydrogens) { interface->showHydrogens = show; emit drawablesChanged(); } QSettings settings; settings.setValue("wireframe/showHydrogens", show); } void Wireframe::setWidth(double width) { auto* interface = m_layerManager.getSetting(); interface->lineWidth = float(width); emit drawablesChanged(); QSettings settings; settings.setValue("wireframe/lineWidth", width); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/wireframe/wireframe.h000066400000000000000000000025701474375334400243120ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_WIREFRAME_H #define AVOGADRO_QTPLUGINS_WIREFRAME_H #include namespace Avogadro { namespace QtPlugins { /** * @brief Render a molecule in the wireframe style. */ class Wireframe : public QtGui::ScenePlugin { Q_OBJECT public: explicit Wireframe(QObject* parent = nullptr); ~Wireframe() override; void process(const QtGui::Molecule& molecule, Rendering::GroupNode& node) override; QString name() const override { return tr("Wireframe"); } QString description() const override { return tr("Render the molecule as a wireframe."); } QWidget* setupWidget() override; bool hasSetupWidget() const override { return true; } DefaultBehavior defaultBehavior() const override { return DefaultBehavior::False; } public slots: void multiBonds(bool show); void showHydrogens(bool show); void setWidth(double width); private: Rendering::GroupNode* m_group; std::string m_name = "Wireframe"; }; } // end namespace QtPlugins } // end namespace Avogadro #endif // AVOGADRO_QTPLUGINS_WIREFRAME_H avogadrolibs-1.100.0/avogadro/qtplugins/yaehmop/000077500000000000000000000000001474375334400216355ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/qtplugins/yaehmop/CMakeLists.txt000066400000000000000000000005261474375334400244000ustar00rootroot00000000000000 set(yaehmop_srcs banddialog.cpp specialkpoints.cpp yaehmop.cpp yaehmopout.cpp ) set(yaehmop_uis banddialog.ui ) avogadro_plugin(Yaehmop "Use yaehmop to perform extended Hückel calculations." ExtensionPlugin yaehmop.h Yaehmop "${yaehmop_srcs}" "${yaehmop_uis}" ) target_link_libraries(Yaehmop PRIVATE Avogadro::Vtk) avogadrolibs-1.100.0/avogadro/qtplugins/yaehmop/banddialog.cpp000066400000000000000000000042061474375334400244270ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "banddialog.h" #include "ui_banddialog.h" #include namespace Avogadro::QtPlugins { BandDialog::BandDialog(QWidget* aParent, YaehmopSettings& yaehmopSettings) : QDialog(aParent), m_ui(new Ui::BandDialog), m_yaehmopSettings(yaehmopSettings) { m_ui->setupUi(this); } // Destructor must be defined after Ui::BandDialog has been resovled BandDialog::~BandDialog() = default; int BandDialog::exec() { // Load the settings then exec m_ui->spin_numKPoints->setValue(m_yaehmopSettings.numBandKPoints); m_ui->edit_specialKPoints->setText(m_yaehmopSettings.specialKPoints); m_ui->cb_displayYaehmopInput->setChecked( m_yaehmopSettings.displayYaehmopInput); m_ui->cb_limitY->setChecked(m_yaehmopSettings.limitY); m_ui->spin_minY->setValue(m_yaehmopSettings.minY); m_ui->spin_maxY->setValue(m_yaehmopSettings.maxY); m_ui->cb_plotFermi->setChecked(m_yaehmopSettings.plotFermi); m_ui->spin_fermi->setValue(m_yaehmopSettings.fermi); m_ui->cb_zeroFermi->setChecked(m_yaehmopSettings.zeroFermi); m_ui->spin_numDim->setValue(m_yaehmopSettings.numDim); return QDialog::exec(); } void BandDialog::accept() { // Save the settings and accept m_yaehmopSettings.numBandKPoints = m_ui->spin_numKPoints->value(); m_yaehmopSettings.specialKPoints = m_ui->edit_specialKPoints->toPlainText(); m_yaehmopSettings.displayYaehmopInput = m_ui->cb_displayYaehmopInput->isChecked(); m_yaehmopSettings.limitY = m_ui->cb_limitY->isChecked(); m_yaehmopSettings.minY = m_ui->spin_minY->value(); m_yaehmopSettings.maxY = m_ui->spin_maxY->value(); m_yaehmopSettings.plotFermi = m_ui->cb_plotFermi->isChecked(); m_yaehmopSettings.fermi = m_ui->spin_fermi->value(); m_yaehmopSettings.zeroFermi = m_ui->cb_zeroFermi->isChecked(); m_yaehmopSettings.numDim = m_ui->spin_numDim->value(); QDialog::accept(); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/yaehmop/banddialog.h000066400000000000000000000017631474375334400241010ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_YAEHMOPBANDDIALOG_H #define AVOGADRO_QTPLUGINS_YAEHMOPBANDDIALOG_H #include "yaehmopsettings.h" #include #include namespace Avogadro::QtPlugins { namespace Ui { class BandDialog; } /** * @brief Dialog to perform a band structure calculation with yaehmop. */ class BandDialog : public QDialog { Q_OBJECT public: explicit BandDialog(QWidget* parent, YaehmopSettings& yaehmopSettings); ~BandDialog(); public slots: int exec() override; protected slots: void accept() override; private: std::unique_ptr m_ui; YaehmopSettings& m_yaehmopSettings; }; } // namespace Avogadro::QtPlugins #endif // AVOGADRO_QTPLUGINS_YAEHMOPBANDDIALOG_H avogadrolibs-1.100.0/avogadro/qtplugins/yaehmop/banddialog.ui000066400000000000000000000305631474375334400242670ustar00rootroot00000000000000 Avogadro::QtPlugins::BandDialog 0 0 599 406 Yaehmop Band Qt::Horizontal QDialogButtonBox::Cancel|QDialogButtonBox::Ok false Min y: eV 5 -10000.000000000000000 10000.000000000000000 <html><head/><body><p>The Fermi level should be known before checking this box. You can discover the Fermi level by performing a density of states calculation and displaying the data (it will be at the top of the data). In addition, if a density of states calculation is performed, the Fermi level here will automatically be set to what was detected during the density of states calculation.</p><p>If this box is checked, be sure the correct Fermi level is set in the spinbox on the right.</p><p>Default: off</p></body></html> Qt::RightToLeft Plot Fermi? false <html><head/><body><p>Adjust the energies so that the zero is the Fermi? Only available if we are plotting the Fermi level.</p><p><br/></p><p>Default: off</p></body></html> Qt::RightToLeft Zero Fermi? # of k-points connecting special k-points: Special k-points false Max y: eV 5 -1000.000000000000000 1000.000000000000000 false <html><head/><body><p>The Fermi Level</p></body></html> eV 5 -10000.000000000000000 10000.000000000000000 0.100000000000000 <html><head/><body><p>Enter special k-points as such:</p><p>L 0.5 0.5 0.5</p><p>G 0.0 0.0 0.0</p><p>X 0.5 0.0 0.5</p><p>That is, &lt;symbol&gt; &lt;x&gt; &lt;y&gt; &lt;z&gt; where x, y, and z are fractional reciprocal space coordinates. Lines will be drawn connecting these k-points on the graph in the order you put them in. Please note that the orientation of your cell may have an effect on the locations of these reciprocal space points.</p><p>If the space group of the crystal has been perceived or set, the special k points will be automatically filled up with the primitive cell high symmetry points for that space group. There are a few space groups will different high symmetry points depending on the lattice (such as if a &gt; b or a &lt; b) - that is taken into account automatically.</p></body></html> <!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0//EN" "http://www.w3.org/TR/REC-html40/strict.dtd"> <html><head><meta name="qrichtext" content="1" /><style type="text/css"> p, li { white-space: pre-wrap; } </style></head><body style=" font-family:'.AppleSystemUIFont'; font-size:13pt; font-weight:400; font-style:normal;"> <p style=" margin-top:0px; margin-bottom:0px; margin-left:0px; margin-right:0px; -qt-block-indent:0; text-indent:0px;"><span style=" font-family:'Ubuntu'; font-size:11pt;">GM 0.0 0.0 0.0</span></p></body></html> <html><head/><body><p>Enter the number of k-points that will be connecting the special k-points. More of these k-points will smooth out the graph, but the calculation may take longer.</p><p>Default: 40</p></body></html> Qt::AlignLeading|Qt::AlignLeft|Qt::AlignVCenter 0 999999 40 <html><head/><body><p>Limit the y-range in the plot?</p><p>Default: off</p></body></html> Limit y-range? <html><head/><body><p>The number of periodic dimensions.</p><p><br/></p><p>If this is set to 1, the material will be periodic only along the A vector of the crystal.</p><p><br/></p><p>If this is set to 2, the material will be periodic along both the A and B vectors of the crystal.</p><p><br/></p><p>If this is set to 3, the material will be periodic along the A, B, and C vectors of the crystal.</p><p><br/></p></body></html> Qt::LeftToRight Number of Dimensions: Qt::AlignRight|Qt::AlignTrailing|Qt::AlignVCenter <html><head/><body><p>The number of periodic dimensions.</p><p><br/></p><p>If this is set to 1, the material will be periodic only along the A vector of the crystal.</p><p><br/></p><p>If this is set to 2, the material will be periodic along both the A and B vectors of the crystal.</p><p><br/></p><p>If this is set to 3, the material will be periodic along the A, B, and C vectors of the crystal.</p><p><br/></p></body></html> 1 3 3 Display Yaehmop Input? spin_numKPoints edit_specialKPoints cb_displayYaehmopInput cb_limitY spin_minY spin_maxY cb_plotFermi spin_fermi cb_zeroFermi spin_numDim buttonBox accepted() Avogadro::QtPlugins::BandDialog accept() 248 254 157 274 buttonBox rejected() Avogadro::QtPlugins::BandDialog reject() 316 260 286 274 cb_limitY toggled(bool) spin_minY setEnabled(bool) 449 180 449 211 cb_limitY toggled(bool) spin_maxY setEnabled(bool) 449 180 449 244 cb_plotFermi toggled(bool) spin_fermi setEnabled(bool) 170 250 449 251 cb_plotFermi toggled(bool) cb_zeroFermi setEnabled(bool) 170 225 170 255 avogadrolibs-1.100.0/avogadro/qtplugins/yaehmop/specialkpoints.cpp000066400000000000000000000133321474375334400253730ustar00rootroot00000000000000/******************************************************************************* This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). *******************************************************************************/ #include #include #include #include #include #include #include #include "specialkpoints.h" #include "specialkpointsdata.h" using Avogadro::Vector3; using Avogadro::Core::AvoSpglib; using Avogadro::Core::Molecule; using Avogadro::Core::SpaceGroups; using Avogadro::Core::UnitCell; namespace Avogadro::QtPlugins { QString SpecialKPoints::getSpecialKPoints(Molecule& mol) { UnitCell* cell = mol.unitCell(); if (cell) { // Check to see if the space group is set. unsigned short hallNumber = mol.hallNumber(); // Try to find the space group if it is not set if (!hallNumber) { hallNumber = AvoSpglib::getHallNumber(mol); // If we still can't find the hall number, just return if (!hallNumber) return QString(); } unsigned short spgNum = SpaceGroups::internationalNumber(hallNumber); if (spgNum != 0 && spgNum < 231) { QString specialKPoints = special_k_points[spgNum]; if (specialKPoints.contains("#")) processConditionKPoints(specialKPoints, mol, spgNum); return specialKPoints.replace(',', '\n'); } } // If we made it here, we failed return QString(); } void SpecialKPoints::processConditionKPoints(QString& specialKPoints, Molecule& mol, unsigned short spgNum) { // Check to see if the space group is set. UnitCell* cell = mol.unitCell(); if (!cell) { qDebug() << "Error in " << __FUNCTION__ << ": cell is NULL!"; specialKPoints = ""; return; } // Ensure the space group number is valid if (spgNum == 0 || spgNum > 230) { qDebug() << "Error in " << __FUNCTION__ << ": spg is invalid!"; specialKPoints = ""; return; } QStringList stringSplit = specialKPoints.split("#"); switch (spgNum) { // a > b or a < b case 20: case 21: case 35: case 36: case 37: case 38: case 39: case 40: case 41: case 63: case 64: case 65: case 66: case 67: case 68: { if (stringSplit.size() != 2) { qDebug() << "Error in " << __FUNCTION__ << ": for spgNum " << QString::number(spgNum) << ", size is not correct!"; specialKPoints = ""; } else { unsigned short ind = 0; // a > b? if (cell->a() >= cell->b()) ind = 0; else ind = 1; specialKPoints = stringSplit[ind]; } return; } // a^-2 > b^-2 + c^-2, c^-2 > a^-2 + b^-2, or other case 22: case 42: case 43: case 69: case 70: { if (stringSplit.size() != 3) { qDebug() << "Error in " << __FUNCTION__ << ": for spgNum " << QString::number(spgNum) << ", size is not correct!"; specialKPoints = ""; } else { unsigned short ind = 0; double a = cell->a(); double b = cell->b(); double c = cell->c(); if (pow(a, -2.0) >= pow(b, -2.0) + pow(c, -2.0)) ind = 0; else if (pow(c, -2.0) >= pow(a, -2.0) + pow(b, -2.0)) ind = 1; else ind = 2; specialKPoints = stringSplit[ind]; } return; } // (b > a > c or b > c > a) or other case 23: case 24: case 44: case 45: case 46: case 71: case 72: case 73: case 74: { if (stringSplit.size() != 2) { qDebug() << "Error in " << __FUNCTION__ << ": for spgNum " << QString::number(spgNum) << ", size is not correct!"; specialKPoints = ""; } else { unsigned short ind = 0; double a = cell->a(); double b = cell->b(); double c = cell->c(); if ((b >= a && a >= c) || (b >= c && c >= a)) ind = 0; else ind = 1; specialKPoints = stringSplit[ind]; } return; } // c/a > 1 or other case 79: case 80: case 82: case 87: case 88: case 97: case 98: case 107: case 108: case 109: case 110: case 119: case 120: case 121: case 122: case 139: case 140: case 141: case 142: { if (stringSplit.size() != 2) { qDebug() << "Error in " << __FUNCTION__ << ": for spgNum " << QString::number(spgNum) << ", size is not correct!"; specialKPoints = ""; } else { unsigned short ind = 0; if (cell->c() / cell->a() >= 1) ind = 0; else ind = 1; specialKPoints = stringSplit[ind]; } return; } // sqrt3a > sqrt2c or other case 146: case 148: case 155: case 160: case 161: case 166: case 167: { if (stringSplit.size() != 2) { qDebug() << "Error in " << __FUNCTION__ << ": for spgNum " << QString::number(spgNum) << ", size is not correct!"; specialKPoints = ""; } else { unsigned short ind = 0; if (sqrt(3.0 * cell->a()) >= sqrt(2.0 * cell->c())) ind = 0; else ind = 1; specialKPoints = stringSplit[ind]; } return; } // This shouldn't happen default: { qDebug() << "Error in" << __FUNCTION__ << ": failed to process spg " << QString::number(spgNum); specialKPoints = ""; return; } } } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/yaehmop/specialkpoints.h000066400000000000000000000033151474375334400250400ustar00rootroot00000000000000/******************************************************************************* This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). *******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_YAEHMOP_SPECIALKPOINTS_H #define AVOGADRO_QTPLUGINS_YAEHMOP_SPECIALKPOINTS_H namespace Avogadro { namespace Core { class Molecule; } } // namespace Avogadro namespace Avogadro { namespace QtPlugins { #include class SpecialKPoints { public: /* Get the special k points for a particular space group. It will * be returned like the following: * * GM 0 0 0 * Y 0 0.5 0 * etc. * * @param mol The molecule for which to get special k points. If the * space group is cached, that will be used. If not, this * function will attempt to determine the space group via * avospglib. If that fails, an empty string is returned. * * @return A QString containing the data for the special kpoint. */ static QString getSpecialKPoints(Core::Molecule& mol); private: /* Process a special k point with a condition. These special k points * are separated in specialkpointsdata.h by a '#' symbol. This function * has stored in it all of the cases for different conditions. It will * process and change the @param specialKPoints to be the correct * QString for the @param molecule. * */ static void processConditionKPoints(QString& specialKPoints, Core::Molecule& mol, unsigned short spgNum); }; } // namespace QtPlugins } // namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/qtplugins/yaehmop/specialkpointsdata.h000066400000000000000000000607031474375334400256760ustar00rootroot00000000000000/******************************************************************************* This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). *******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_YAEHMOP_SPECIALKPOINTSDATA_H #define AVOGADRO_QTPLUGINS_YAEHMOP_SPECIALKPOINTSDATA_H namespace Avogadro::QtPlugins { // There are 230 of these (not including the first value, which is null) // One point for each space group. // If there are multiple ways to express a space group's special k points // depending on some conditions like if a > b or a < b, there is a # // separating the different conditions const char* special_k_points[] = { "", "GM 0 0 0", // 1 "GM 0 0 0,Z 0 0 0.5,Y 0 0.5 0,X 0.5 0 0,V 0.5 0.5 0,U 0.5 0 0.5,T 0 0.5 " "0.5,R 0.5 0.5 0.5", // 2 "GM 0 0 0,Z 0 0.5 0,B 0 0 0.5,D 0 0.5 0.5,Y 0.5 0 0,C 0.5 0.5 0,A -0.5 0 " "0.5,E -0.5 0.5 0.5", // 3 "GM 0 0 0,Z 0 0.5 0,B 0 0 0.5,D 0 0.5 0.5,Y 0.5 0 0,C 0.5 0.5 0,A -0.5 0 " "0.5,E -0.5 0.5 0.5", // 4 "GM 0 0 0,Y 0.5 0.5 0,A 0 0 0.5,M 0.5 0.5 0.5", // 5 "GM 0 0 0,B 0 0 0.5,Y 0.5 0 0,A -0.5 0 0.5,Z 0 0.5 0,C 0.5 0.5 0,D 0 0.5 " "0.5,E -0.5 0.5 0.5", // 6 "GM 0 0 0,B 0 0 0.5,Y 0.5 0 0,A -0.5 0 0.5,Z 0 0.5 0,C 0.5 0.5 0,D 0 0.5 " "0.5,E -0.5 0.5 0.5", // 7 "GM 0 0 0,Y 0.5 0.5 0,A 0 0 0.5,M 0.5 0.5 0.5", // 8 "GM 0 0 0,Y 0.5 0.5 0,A 0 0 0.5,M 0.5 0.5 0.5", // 9 "GM 0 0 0,Z 0 0.5 0,B 0 0 0.5,Y 0.5 0 0,C 0.5 0.5 0,D 0 0.5 0.5,A -0.5 0 " "0.5,E -0.5 0.5 0.5", // 10 "GM 0 0 0,Z 0 0.5 0,B 0 0 0.5,Y 0.5 0 0,C 0.5 0.5 0,D 0 0.5 0.5,A -0.5 0 " "0.5,E -0.5 0.5 0.5", // 11 "GM 0 0 0,Y 0.5 0.5 0,A 0 0 0.5,M 0.5 0.5 0.5,V 0.5 0 0,L 0.5 0 0.5", // 12 "GM 0 0 0,Z 0 0.5 0,B 0 0 0.5,Y 0.5 0 0,C 0.5 0.5 0,D 0 0.5 0.5,A -0.5 0 " "0.5,E -0.5 0.5 0.5", // 13 "GM 0 0 0,Z 0 0.5 0,B 0 0 0.5,Y 0.5 0 0,C 0.5 0.5 0,D 0 0.5 0.5,A -0.5 0 " "0.5,E -0.5 0.5 0.5", // 14 "GM 0 0 0,Y 0.5 0.5 0,A 0 0 0.5,M 0.5 0.5 0.5,V 0.5 0 0,L 0.5 0 0.5", // 15 "GM 0 0 0,X 0.5 0 0,Y 0 0.5 0,Z 0 0 0.5,S 0.5 0.5 0,U 0.5 0 0.5,T 0 0.5 " "0.5,R 0.5 0.5 0.5", // 16 "GM 0 0 0,X 0.5 0 0,Y 0 0.5 0,Z 0 0 0.5,S 0.5 0.5 0,U 0.5 0 0.5,T 0 0.5 " "0.5,R 0.5 0.5 0.5", // 17 "GM 0 0 0,X 0.5 0 0,Y 0 0.5 0,Z 0 0 0.5,S 0.5 0.5 0,U 0.5 0 0.5,T 0 0.5 " "0.5,R 0.5 0.5 0.5", // 18 "GM 0 0 0,X 0.5 0 0,Y 0 0.5 0,Z 0 0 0.5,S 0.5 0.5 0,U 0.5 0 0.5,T 0 0.5 " "0.5,R 0.5 0.5 0.5", // 19 "GM 0 0 0,Y 0.5 0.5 0,T 0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5#GM 0 0 " "0,Y -0.5 0.5 0,T -0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5", // 20 "GM 0 0 0,Y 0.5 0.5 0,T 0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5#GM 0 0 " "0,Y -0.5 0.5 0,T -0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5", // 21 "GM 0 0 0,T 1 0.5 0.5,Z 0.5 0.5 0,Y 0.5 0 0.5#GM 0 0 0,T 0 0.5 0.5,Z 0.5 0.5 " "1,Y 0.5 0 0.5#GM 0 0 0,T 0 0.5 0.5,Z 0.5 0.5 0,Y 0.5 0 0.5", // 22 "GM 0 0 0,X 0.5 -0.5 0.5,W 0.25 0.25 0.25,WA -0.25 -0.25 0.75,T 0 0 0.5,R 0 " "0.5 0,S 0.5 0 0#GM 0 0 0,X 0.5 0.5 -0.5,W 0.25 0.25 0.25,WA -0.25 -0.25 " "0.75,T 0 0 0.5,R 0 0.5 0,S 0.5 0 0", // 23 "GM 0 0 0,X 0.5 -0.5 0.5,W 0.25 0.25 0.25,WA -0.25 -0.25 0.75,T 0 0 0.5,R 0 " "0.5 0,S 0.5 0 0#GM 0 0 0,X 0.5 0.5 -0.5,W 0.25 0.25 0.25,WA -0.25 -0.25 " "0.75,T 0 0 0.5,R 0 0.5 0,S 0.5 0 0", // 24 "GM 0 0 0,Z 0 0 0.5,Y 0 0.5 0,T 0 0.5 0.5,X 0.5 0 0,U 0.5 0 0.5,S 0.5 0.5 " "0,R 0.5 0.5 0.5", // 25 "GM 0 0 0,Z 0 0 0.5,Y 0 0.5 0,T 0 0.5 0.5,X 0.5 0 0,U 0.5 0 0.5,S 0.5 0.5 " "0,R 0.5 0.5 0.5", // 26 "GM 0 0 0,Z 0 0 0.5,Y 0 0.5 0,T 0 0.5 0.5,X 0.5 0 0,U 0.5 0 0.5,S 0.5 0.5 " "0,R 0.5 0.5 0.5", // 27 "GM 0 0 0,Z 0 0 0.5,Y 0 0.5 0,T 0 0.5 0.5,X 0.5 0 0,U 0.5 0 0.5,S 0.5 0.5 " "0,R 0.5 0.5 0.5", // 28 "GM 0 0 0,Z 0 0 0.5,Y 0 0.5 0,T 0 0.5 0.5,X 0.5 0 0,U 0.5 0 0.5,S 0.5 0.5 " "0,R 0.5 0.5 0.5", // 29 "GM 0 0 0,Z 0 0 0.5,Y 0 0.5 0,T 0 0.5 0.5,X 0.5 0 0,U 0.5 0 0.5,S 0.5 0.5 " "0,R 0.5 0.5 0.5", // 30 "GM 0 0 0,Z 0 0 0.5,Y 0 0.5 0,T 0 0.5 0.5,X 0.5 0 0,U 0.5 0 0.5,S 0.5 0.5 " "0,R 0.5 0.5 0.5", // 31 "GM 0 0 0,Z 0 0 0.5,Y 0 0.5 0,T 0 0.5 0.5,X 0.5 0 0,U 0.5 0 0.5,S 0.5 0.5 " "0,R 0.5 0.5 0.5", // 32 "GM 0 0 0,Z 0 0 0.5,Y 0 0.5 0,T 0 0.5 0.5,X 0.5 0 0,U 0.5 0 0.5,S 0.5 0.5 " "0,R 0.5 0.5 0.5", // 33 "GM 0 0 0,Z 0 0 0.5,Y 0 0.5 0,T 0 0.5 0.5,X 0.5 0 0,U 0.5 0 0.5,S 0.5 0.5 " "0,R 0.5 0.5 0.5", // 34 "GM 0 0 0,Z 0 0 0.5,Y 0.5 0.5 0,T 0.5 0.5 0.5,S 0 0.5 0,R 0 0.5 0.5#GM 0 0 " "0,Z 0 0 0.5,Y -0.5 0.5 0,T -0.5 0.5 0.5,S 0 0.5 0,R 0 0.5 0.5", // 35 "GM 0 0 0,Z 0 0 0.5,Y 0.5 0.5 0,T 0.5 0.5 0.5,S 0 0.5 0,R 0 0.5 0.5#GM 0 0 " "0,Z 0 0 0.5,Y -0.5 0.5 0,T -0.5 0.5 0.5,S 0 0.5 0,R 0 0.5 0.5", // 36 "GM 0 0 0,Z 0 0 0.5,Y 0.5 0.5 0,T 0.5 0.5 0.5,S 0 0.5 0,R 0 0.5 0.5#GM 0 0 " "0,Z 0 0 0.5,Y -0.5 0.5 0,T -0.5 0.5 0.5,S 0 0.5 0,R 0 0.5 0.5", // 37 "GM 0 0 0,Y 0.5 0.5 0,T 0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5#GM 0 0 " "0,Y -0.5 0.5 0,T -0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5", // 38 "GM 0 0 0,Y 0.5 0.5 0,T 0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5#GM 0 0 " "0,Y -0.5 0.5 0,T -0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5", // 39 "GM 0 0 0,Y 0.5 0.5 0,T 0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5#GM 0 0 " "0,Y -0.5 0.5 0,T -0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5", // 40 "GM 0 0 0,Y 0.5 0.5 0,T 0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5#GM 0 0 " "0,Y -0.5 0.5 0,T -0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5", // 41 "GM 0 0 0,Z 0.5 0.5 0,T 1 0.5 0.5,Y 0.5 0 0.5#GM 0 0 0,Z 0.5 0.5 1,T 0 0.5 " "0.5,Y 0.5 0 0.5#GM 0 0 0,Z 0.5 0.5 0,T 0 0.5 0.5,Y 0.5 0 0.5", // 42 "GM 0 0 0,Z 0.5 0.5 0,T 1 0.5 0.5,Y 0.5 0 0.5#GM 0 0 0,Z 0.5 0.5 1,T 0 0.5 " "0.5,Y 0.5 0 0.5#GM 0 0 0,Z 0.5 0.5 0,T 0 0.5 0.5,Y 0.5 0 0.5", // 43 "GM 0 0 0,X 0.5 -0.5 0.5,T 0 0 0.5,W 0.25 0.25 0.25,S 0.5 0 0,R 0 0.5 0#GM 0 " "0 0,X 0.5 0.5 -0.5,T 0 0 0.5,W 0.25 0.25 0.25,S 0.5 0 0,R 0 0.5 0", // 44 "GM 0 0 0,X 0.5 -0.5 0.5,T 0 0 0.5,W 0.25 0.25 0.25,S 0.5 0 0,R 0 0.5 0#GM 0 " "0 0,X 0.5 0.5 -0.5,T 0 0 0.5,W 0.25 0.25 0.25,S 0.5 0 0,R 0 0.5 0", // 45 "GM 0 0 0,X 0.5 -0.5 0.5,T 0 0 0.5,W 0.25 0.25 0.25,S 0.5 0 0,R 0 0.5 0#GM 0 " "0 0,X 0.5 0.5 -0.5,T 0 0 0.5,W 0.25 0.25 0.25,S 0.5 0 0,R 0 0.5 0", // 46 "GM 0 0 0,X 0.5 0 0,Z 0 0 0.5,U 0.5 0 0.5,Y 0 0.5 0,S 0.5 0.5 0,T 0 0.5 " "0.5,R 0.5 0.5 0.5", // 47 "GM 0 0 0,X 0.5 0 0,Z 0 0 0.5,U 0.5 0 0.5,Y 0 0.5 0,S 0.5 0.5 0,T 0 0.5 " "0.5,R 0.5 0.5 0.5", // 48 "GM 0 0 0,X 0.5 0 0,Z 0 0 0.5,U 0.5 0 0.5,Y 0 0.5 0,S 0.5 0.5 0,T 0 0.5 " "0.5,R 0.5 0.5 0.5", // 49 "GM 0 0 0,X 0.5 0 0,Z 0 0 0.5,U 0.5 0 0.5,Y 0 0.5 0,S 0.5 0.5 0,T 0 0.5 " "0.5,R 0.5 0.5 0.5", // 50 "GM 0 0 0,X 0.5 0 0,Z 0 0 0.5,U 0.5 0 0.5,Y 0 0.5 0,S 0.5 0.5 0,T 0 0.5 " "0.5,R 0.5 0.5 0.5", // 51 "GM 0 0 0,X 0.5 0 0,Z 0 0 0.5,U 0.5 0 0.5,Y 0 0.5 0,S 0.5 0.5 0,T 0 0.5 " "0.5,R 0.5 0.5 0.5", // 52 "GM 0 0 0,X 0.5 0 0,Z 0 0 0.5,U 0.5 0 0.5,Y 0 0.5 0,S 0.5 0.5 0,T 0 0.5 " "0.5,R 0.5 0.5 0.5", // 53 "GM 0 0 0,X 0.5 0 0,Z 0 0 0.5,U 0.5 0 0.5,Y 0 0.5 0,S 0.5 0.5 0,T 0 0.5 " "0.5,R 0.5 0.5 0.5", // 54 "GM 0 0 0,X 0.5 0 0,Z 0 0 0.5,U 0.5 0 0.5,Y 0 0.5 0,S 0.5 0.5 0,T 0 0.5 " "0.5,R 0.5 0.5 0.5", // 55 "GM 0 0 0,X 0.5 0 0,Z 0 0 0.5,U 0.5 0 0.5,Y 0 0.5 0,S 0.5 0.5 0,T 0 0.5 " "0.5,R 0.5 0.5 0.5", // 56 "GM 0 0 0,X 0.5 0 0,Z 0 0 0.5,U 0.5 0 0.5,Y 0 0.5 0,S 0.5 0.5 0,T 0 0.5 " "0.5,R 0.5 0.5 0.5", // 57 "GM 0 0 0,X 0.5 0 0,Z 0 0 0.5,U 0.5 0 0.5,Y 0 0.5 0,S 0.5 0.5 0,T 0 0.5 " "0.5,R 0.5 0.5 0.5", // 58 "GM 0 0 0,X 0.5 0 0,Z 0 0 0.5,U 0.5 0 0.5,Y 0 0.5 0,S 0.5 0.5 0,T 0 0.5 " "0.5,R 0.5 0.5 0.5", // 59 "GM 0 0 0,X 0.5 0 0,Z 0 0 0.5,U 0.5 0 0.5,Y 0 0.5 0,S 0.5 0.5 0,T 0 0.5 " "0.5,R 0.5 0.5 0.5", // 60 "GM 0 0 0,X 0.5 0 0,Z 0 0 0.5,U 0.5 0 0.5,Y 0 0.5 0,S 0.5 0.5 0,T 0 0.5 " "0.5,R 0.5 0.5 0.5", // 61 "GM 0 0 0,X 0.5 0 0,Z 0 0 0.5,U 0.5 0 0.5,Y 0 0.5 0,S 0.5 0.5 0,T 0 0.5 " "0.5,R 0.5 0.5 0.5", // 62 "GM 0 0 0,Y 0.5 0.5 0,T 0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5#GM 0 0 " "0,Y -0.5 0.5 0,T -0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5", // 63 "GM 0 0 0,Y 0.5 0.5 0,T 0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5#GM 0 0 " "0,Y -0.5 0.5 0,T -0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5", // 64 "GM 0 0 0,Y 0.5 0.5 0,T 0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5#GM 0 0 " "0,Y -0.5 0.5 0,T -0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5", // 65 "GM 0 0 0,Y 0.5 0.5 0,T 0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5#GM 0 0 " "0,Y -0.5 0.5 0,T -0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5", // 66 "GM 0 0 0,Y 0.5 0.5 0,T 0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5#GM 0 0 " "0,Y -0.5 0.5 0,T -0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5", // 67 "GM 0 0 0,Y 0.5 0.5 0,T 0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5#GM 0 0 " "0,Y -0.5 0.5 0,T -0.5 0.5 0.5,Z 0 0 0.5,S 0 0.5 0,R 0 0.5 0.5", // 68 "GM 0 0 0,T 1 0.5 0.5,Z 0.5 0.5 0,Y 0.5 0 0.5,L 0.5 0.5 0.5#GM 0 0 0,T 0 0.5 " "0.5,Z 0.5 0.5 1,Y 0.5 0 0.5,L 0.5 0.5 0.5#GM 0 0 0,T 0 0.5 0.5,Z 0.5 0.5 " "0,Y 0.5 0 0.5,L 0.5 0.5 0.5", // 69 "GM 0 0 0,T 1 0.5 0.5,Z 0.5 0.5 0,Y 0.5 0 0.5,L 0.5 0.5 0.5#GM 0 0 0,T 0 0.5 " "0.5,Z 0.5 0.5 1,Y 0.5 0 0.5,L 0.5 0.5 0.5#GM 0 0 0,T 0 0.5 0.5,Z 0.5 0.5 " "0,Y 0.5 0 0.5,L 0.5 0.5 0.5", // 70 "GM 0 0 0,X 0.5 -0.5 0.5,S 0.5 0 0,R 0 0.5 0,T 0 0 0.5,W 0.25 0.25 0.25#GM 0 " "0 0,X 0.5 0.5 -0.5,S 0.5 0 0,R 0 0.5 0,T 0 0 0.5,W 0.25 0.25 0.25", // 71 "GM 0 0 0,X 0.5 -0.5 0.5,S 0.5 0 0,R 0 0.5 0,T 0 0 0.5,W 0.25 0.25 0.25#GM 0 " "0 0,X 0.5 0.5 -0.5,S 0.5 0 0,R 0 0.5 0,T 0 0 0.5,W 0.25 0.25 0.25", // 72 "GM 0 0 0,X 0.5 -0.5 0.5,S 0.5 0 0,R 0 0.5 0,T 0 0 0.5,W 0.25 0.25 0.25#GM 0 " "0 0,X 0.5 0.5 -0.5,S 0.5 0 0,R 0 0.5 0,T 0 0 0.5,W 0.25 0.25 0.25", // 73 "GM 0 0 0,X 0.5 -0.5 0.5,S 0.5 0 0,R 0 0.5 0,T 0 0 0.5,W 0.25 0.25 0.25#GM 0 " "0 0,X 0.5 0.5 -0.5,S 0.5 0 0,R 0 0.5 0,T 0 0 0.5,W 0.25 0.25 0.25", // 74 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 75 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 76 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 77 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 78 "GM 0 0 0,M 0.5 0.5 -0.5,X 0 0 0.5,P 0.25 0.25 0.25#GM 0 0 0,M -0.5 0.5 " "0.5,X 0 0 0.5,P 0.25 0.25 0.25", // 79 "GM 0 0 0,M 0.5 0.5 -0.5,X 0 0 0.5,P 0.25 0.25 0.25#GM 0 0 0,M -0.5 0.5 " "0.5,X 0 0 0.5,P 0.25 0.25 0.25", // 80 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 81 "GM 0 0 0,M 0.5 0.5 -0.5,P 0.25 0.25 0.25,PA -0.25 -0.25 0.75,X 0 0 0.5#GM 0 " "0 0,M -0.5 0.5 0.5,P 0.25 0.25 0.25,PA -0.25 -0.25 0.75,X 0 0 0.5", // 82 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 83 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 84 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 85 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 86 "GM 0 0 0,M 0.5 0.5 -0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0#GM 0 0 0,M " "-0.5 0.5 0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0", // 87 "GM 0 0 0,M 0.5 0.5 -0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0#GM 0 0 0,M " "-0.5 0.5 0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0", // 88 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 89 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 90 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 91 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 92 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 93 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 94 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 95 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 96 "GM 0 0 0,M 0.5 0.5 -0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0#GM 0 0 0,M " "-0.5 0.5 0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0", // 97 "GM 0 0 0,M 0.5 0.5 -0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0#GM 0 0 0,M " "-0.5 0.5 0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0", // 98 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 99 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 100 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 101 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 102 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 103 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 104 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 105 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,X 0 0.5 0,R 0 0.5 0.5", // 106 "GM 0 0 0,M 0.5 0.5 -0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0#GM 0 0 0,M " "-0.5 0.5 0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0", // 107 "GM 0 0 0,M 0.5 0.5 -0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0#GM 0 0 0,M " "-0.5 0.5 0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0", // 108 "GM 0 0 0,M 0.5 0.5 -0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0#GM 0 0 0,M " "-0.5 0.5 0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0", // 109 "GM 0 0 0,M 0.5 0.5 -0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0#GM 0 0 0,M " "-0.5 0.5 0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0", // 110 "GM 0 0 0,A 0.5 0.5 0.5,Z 0 0 0.5,M 0.5 0.5 0,X 0 0.5 0,R 0 0.5 0.5", // 111 "GM 0 0 0,A 0.5 0.5 0.5,Z 0 0 0.5,M 0.5 0.5 0,X 0 0.5 0,R 0 0.5 0.5", // 112 "GM 0 0 0,A 0.5 0.5 0.5,Z 0 0 0.5,M 0.5 0.5 0,X 0 0.5 0,R 0 0.5 0.5", // 113 "GM 0 0 0,A 0.5 0.5 0.5,Z 0 0 0.5,M 0.5 0.5 0,X 0 0.5 0,R 0 0.5 0.5", // 114 "GM 0 0 0,M 0.5 0.5 0,A 0.5 0.5 0.5,Z 0 0 0.5,X 0 0.5 0,R 0 0.5 0.5", // 115 "GM 0 0 0,M 0.5 0.5 0,A 0.5 0.5 0.5,Z 0 0 0.5,X 0 0.5 0,R 0 0.5 0.5", // 116 "GM 0 0 0,M 0.5 0.5 0,A 0.5 0.5 0.5,Z 0 0 0.5,X 0 0.5 0,R 0 0.5 0.5", // 117 "GM 0 0 0,M 0.5 0.5 0,A 0.5 0.5 0.5,Z 0 0 0.5,X 0 0.5 0,R 0 0.5 0.5", // 118 "GM 0 0 0,M 0.5 0.5 -0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0#GM 0 0 0,M " "-0.5 0.5 0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0", // 119 "GM 0 0 0,M 0.5 0.5 -0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0#GM 0 0 0,M " "-0.5 0.5 0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0", // 120 "GM 0 0 0,M 0.5 0.5 -0.5,P 0.25 0.25 0.25,PA -0.25 -0.25 0.75,X 0 0 0.5,N 0 " "0.5 0#GM 0 0 0,M -0.5 0.5 0.5,P 0.25 0.25 0.25,PA -0.25 -0.25 0.75,X 0 0 " "0.5,N 0 0.5 0", // 121 "GM 0 0 0,M 0.5 0.5 -0.5,P 0.25 0.25 0.25,PA -0.25 -0.25 0.75,X 0 0 0.5,N 0 " "0.5 0#GM 0 0 0,M -0.5 0.5 0.5,P 0.25 0.25 0.25,PA -0.25 -0.25 0.75,X 0 0 " "0.5,N 0 0.5 0", // 122 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,R 0 0.5 0.5,X 0 0.5 0", // 123 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,R 0 0.5 0.5,X 0 0.5 0", // 124 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,R 0 0.5 0.5,X 0 0.5 0", // 125 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,R 0 0.5 0.5,X 0 0.5 0", // 126 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,R 0 0.5 0.5,X 0 0.5 0", // 127 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,R 0 0.5 0.5,X 0 0.5 0", // 128 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,R 0 0.5 0.5,X 0 0.5 0", // 129 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,R 0 0.5 0.5,X 0 0.5 0", // 130 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,R 0 0.5 0.5,X 0 0.5 0", // 131 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,R 0 0.5 0.5,X 0 0.5 0", // 132 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,R 0 0.5 0.5,X 0 0.5 0", // 133 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,R 0 0.5 0.5,X 0 0.5 0", // 134 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,R 0 0.5 0.5,X 0 0.5 0", // 135 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,R 0 0.5 0.5,X 0 0.5 0", // 136 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,R 0 0.5 0.5,X 0 0.5 0", // 137 "GM 0 0 0,Z 0 0 0.5,M 0.5 0.5 0,A 0.5 0.5 0.5,R 0 0.5 0.5,X 0 0.5 0", // 138 "GM 0 0 0,M 0.5 0.5 -0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0#GM 0 0 0,M " "-0.5 0.5 0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0", // 139 "GM 0 0 0,M 0.5 0.5 -0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0#GM 0 0 0,M " "-0.5 0.5 0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0", // 140 "GM 0 0 0,M 0.5 0.5 -0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0#GM 0 0 0,M " "-0.5 0.5 0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0", // 141 "GM 0 0 0,M 0.5 0.5 -0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0#GM 0 0 0,M " "-0.5 0.5 0.5,X 0 0 0.5,P 0.25 0.25 0.25,N 0 0.5 0", // 142 "GM 0 0 0,A 0 0 0.5,KA 0.666667 -0.333333 0,HA 0.666667 -0.333333 0.5,K " "0.333333 0.333333 0,H 0.333333 0.333333 0.5", // 143 "GM 0 0 0,A 0 0 0.5,KA 0.666667 -0.333333 0,HA 0.666667 -0.333333 0.5,K " "0.333333 0.333333 0,H 0.333333 0.333333 0.5", // 144 "GM 0 0 0,A 0 0 0.5,KA 0.666667 -0.333333 0,HA 0.666667 -0.333333 0.5,K " "0.333333 0.333333 0,H 0.333333 0.333333 0.5", // 145 "GM 0 0 0,T 0.5 0.5 -0.5#GM 0 0 0,T 0.5 0.5 0.5", // 146 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 147 "GM 0 0 0,T 0.5 0.5 -0.5,L 0 0.5 0,FA 0 0.5 -0.5#GM 0 0 0,T 0.5 0.5 -0.5,L 0 " "0.5 0,FB 0.5 0.5 0", // 148 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 149 "GM 0 0 0,A 0 0 0.5,KA 0.666667 -0.333333 0,HA 0.666667 -0.333333 0.5,K " "0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 0,L 0.5 0 0.5", // 150 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 151 "GM 0 0 0,A 0 0 0.5,KA 0.666667 -0.333333 0,HA 0.666667 -0.333333 0.5,K " "0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 0,L 0.5 0 0.5", // 152 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 153 "GM 0 0 0,A 0 0 0.5,KA 0.666667 -0.333333 0,HA 0.666667 -0.333333 0.5,K " "0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 0,L 0.5 0 0.5", // 154 "GM 0 0 0,T 0.5 0.5 -0.5,FA 0 0.5 -0.5,L 0 0.5 0#GM 0 0 0,T 0.5 0.5 0.5,FB " "0.5 0.5 0,L 0 0.5 0", // 155 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 156 "GM 0 0 0,A 0 0 0.5,KA 0.666667 -0.333333 0,HA 0.666667 -0.333333 0.5,K " "0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 0,L 0.5 0 0.5", // 157 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 158 "GM 0 0 0,A 0 0 0.5,KA 0.666667 -0.333333 0,HA 0.666667 -0.333333 0.5,K " "0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 0,L 0.5 0 0.5", // 159 "GM 0 0 0,T 0.5 0.5 -0.5,L 0 0.5 0,FA 0 0.5 -0.5#GM 0 0 0,T 0.5 0.5 -0.5,L 0 " "0.5 0,FB 0.5 0.5 0", // 160 "GM 0 0 0,T 0.5 0.5 -0.5,L 0 0.5 0,FA 0 0.5 -0.5#GM 0 0 0,T 0.5 0.5 -0.5,L 0 " "0.5 0,FB 0.5 0.5 0", // 161 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 162 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 163 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 164 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 165 "GM 0 0 0,T 0.5 0.5 -0.5,L 0 0.5 0,FA 0 0.5 -0.5#GM 0 0 0,T 0.5 0.5 0.5,L 0 " "0.5 0,FB 0 0.5 0.5", // 166 "GM 0 0 0,T 0.5 0.5 -0.5,L 0 0.5 0,FA 0 0.5 -0.5#GM 0 0 0,T 0.5 0.5 0.5,L 0 " "0.5 0,FB 0 0.5 0.5", // 167 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 168 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 169 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 170 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 171 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 172 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 173 "GM 0 0 0,A 0 0 0.5,KA 0.666667 -0.333333 0,HA 0.666667 -0.333333 0.5,K " "0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 0,L 0.5 0 0.5", // 174 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 175 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 176 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 177 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 178 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 179 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 180 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 181 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 182 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 183 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 184 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 185 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 186 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 187 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 188 "GM 0 0 0,A 0 0 0.5,KA 0.666667 -0.333333 0,HA 0.666667 -0.333333 0.5,K " "0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 0,L 0.5 0 0.5", // 189 "GM 0 0 0,A 0 0 0.5,KA 0.666667 -0.333333 0,HA 0.666667 -0.333333 0.5,K " "0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 0,L 0.5 0 0.5", // 190 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 191 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 192 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 193 "GM 0 0 0,A 0 0 0.5,K 0.333333 0.333333 0,H 0.333333 0.333333 0.5,M 0.5 0 " "0,L 0.5 0 0.5", // 194 "GM 0 0 0,R 0.5 0.5 0.5,M 0.5 0.5 0,X 0 0.5 0", // 195 "GM 0 0 0,X 0.5 0 0.5,L 0.5 0.5 0.5,W 0.5 0.25 0.75", // 196 "GM 0 0 0,H 0.5 -0.5 0.5,P 0.25 0.25 0.25,PA -0.25 -0.25 0.75,N 0 0 0.5", // 197 "GM 0 0 0,R 0.5 0.5 0.5,M 0.5 0.5 0,X 0 0.5 0", // 198 "GM 0 0 0,H 0.5 -0.5 0.5,P 0.25 0.25 0.25,PA -0.25 -0.25 0.75,N 0 0 0.5", // 199 "GM 0 0 0,R 0.5 0.5 0.5,M 0.5 0.5 0,X 0 0.5 0", // 200 "GM 0 0 0,R 0.5 0.5 0.5,M 0.5 0.5 0,X 0 0.5 0", // 201 "GM 0 0 0,X 0.5 0 0.5,L 0.5 0.5 0.5,W 0.5 0.25 0.75", // 202 "GM 0 0 0,X 0.5 0 0.5,L 0.5 0.5 0.5,W 0.5 0.25 0.75", // 203 "GM 0 0 0,H 0.5 -0.5 0.5,P 0.25 0.25 0.25,N 0 0 0.5", // 204 "GM 0 0 0,R 0.5 0.5 0.5,M 0.5 0.5 0,X 0 0.5 0", // 205 "GM 0 0 0,H 0.5 -0.5 0.5,P 0.25 0.25 0.25,N 0 0 0.5", // 206 "GM 0 0 0,R 0.5 0.5 0.5,M 0.5 0.5 0,X 0 0.5 0", // 207 "GM 0 0 0,R 0.5 0.5 0.5,M 0.5 0.5 0,X 0 0.5 0", // 208 "GM 0 0 0,X 0.5 0 0.5,L 0.5 0.5 0.5,W 0.5 0.25 0.75", // 209 "GM 0 0 0,X 0.5 0 0.5,L 0.5 0.5 0.5,W 0.5 0.25 0.75", // 210 "GM 0 0 0,H 0.5 -0.5 0.5,P 0.25 0.25 0.25,N 0 0 0.5", // 211 "GM 0 0 0,R 0.5 0.5 0.5,M 0.5 0.5 0,X 0 0.5 0", // 212 "GM 0 0 0,R 0.5 0.5 0.5,M 0.5 0.5 0,X 0 0.5 0", // 213 "GM 0 0 0,H 0.5 -0.5 0.5,P 0.25 0.25 0.25,N 0 0 0.5", // 214 "GM 0 0 0,R 0.5 0.5 0.5,M 0.5 0.5 0,X 0 0.5 0", // 215 "GM 0 0 0,X 0.5 0 0.5,L 0.5 0.5 0.5,W 0.5 0.25 0.75", // 216 "GM 0 0 0,H 0.5 -0.5 0.5,P 0.25 0.25 0.25,PA -0.25 -0.25 0.75,N 0 0 0.5", // 217 "GM 0 0 0,R 0.5 0.5 0.5,M 0.5 0.5 0,X 0 0.5 0", // 218 "GM 0 0 0,X 0.5 0 0.5,L 0.5 0.5 0.5,W 0.5 0.25 0.75", // 219 "GM 0 0 0,H 0.5 -0.5 0.5,P 0.25 0.25 0.25,PA -0.25 -0.25 0.75,N 0 0 0.5", // 220 "GM 0 0 0,R 0.5 0.5 0.5,M 0.5 0.5 0,X 0 0.5 0", // 221 "GM 0 0 0,R 0.5 0.5 0.5,M 0.5 0.5 0,X 0 0.5 0", // 222 "GM 0 0 0,R 0.5 0.5 0.5,M 0.5 0.5 0,X 0 0.5 0", // 223 "GM 0 0 0,R 0.5 0.5 0.5,M 0.5 0.5 0,X 0 0.5 0", // 224 "GM 0 0 0,X 0.5 0 0.5,L 0.5 0.5 0.5,W 0.5 0.25 0.75", // 225 "GM 0 0 0,X 0.5 0 0.5,L 0.5 0.5 0.5,W 0.5 0.25 0.75", // 226 "GM 0 0 0,X 0.5 0 0.5,L 0.5 0.5 0.5,W 0.5 0.25 0.75", // 227 "GM 0 0 0,X 0.5 0 0.5,L 0.5 0.5 0.5,W 0.5 0.25 0.75", // 228 "GM 0 0 0,H 0.5 -0.5 0.5,P 0.25 0.25 0.25,N 0 0 0.5", // 229 "GM 0 0 0,H 0.5 -0.5 0.5,P 0.25 0.25 0.25,N 0 0 0.5" // 230 }; } // namespace Avogadro::QtPlugins #endif avogadrolibs-1.100.0/avogadro/qtplugins/yaehmop/yaehmop.cpp000066400000000000000000000446371474375334400240210ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "yaehmop.h" #include "banddialog.h" #include "specialkpoints.h" #include "yaehmopout.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::Vector3; using Avogadro::Vector3i; using Avogadro::Core::Array; using Avogadro::Core::Elements; using Avogadro::Core::UnitCell; using Avogadro::QtGui::Molecule; namespace Avogadro::QtPlugins { Yaehmop::Yaehmop(QObject* parent_) : Avogadro::QtGui::ExtensionPlugin(parent_), m_actions(QList()), m_molecule(nullptr), m_yaehmopSettings(), m_bandDialog( new BandDialog(qobject_cast(parent()), m_yaehmopSettings)), m_displayBandDialogAction(new QAction(this)) { // first off, look for the program // either as eht_bind or yaehmop bool found = false; // If the YAEHMOP_EXECUTABLE environment variable is set, then // use that QByteArray yaehmopExec = qgetenv("YAEHMOP_EXECUTABLE"); if (!yaehmopExec.isEmpty()) { m_programPath = yaehmopExec; } else { // otherwise look in the current directory, ../bin and the PATH environment #ifdef _WIN32 QStringList programs = QStringList() << "eht_bind.exe" << "yaehmop.exe"; #else QStringList programs = QStringList() << "eht_bind" << "yaehmop"; #endif QStringList paths; paths << QCoreApplication::applicationDirPath() << QCoreApplication::applicationDirPath() + "/../bin"; // add the PATH environment variable auto environment = QProcessEnvironment::systemEnvironment().value("PATH"); paths << environment.split(':'); foreach (QString binary, programs) { foreach (QString path, paths) { if (QFile::exists(path + "/" + binary)) { m_programPath = path + "/" + binary; found = true; break; } } if (found) break; } } m_displayBandDialogAction->setText(tr("Calculate Band Structure…")); m_displayBandDialogAction->setEnabled(found); connect(m_displayBandDialogAction.get(), &QAction::triggered, this, &Yaehmop::displayBandDialog); m_actions.push_back(m_displayBandDialogAction.get()); m_displayBandDialogAction->setProperty("menu priority", 90); updateActions(); readSettings(); } Yaehmop::~Yaehmop() = default; QList Yaehmop::actions() const { return m_actions; } QStringList Yaehmop::menuPath(QAction*) const { return QStringList() << tr("&Extensions") << tr("&Yaehmop"); } void Yaehmop::setMolecule(QtGui::Molecule* mol) { if (m_molecule == mol) return; if (m_molecule) m_molecule->disconnect(this); m_molecule = mol; if (m_molecule) connect(m_molecule, SIGNAL(changed(uint)), SLOT(moleculeChanged(uint))); updateActions(); } void Yaehmop::moleculeChanged(unsigned int c) { Q_ASSERT(m_molecule == qobject_cast(sender())); auto changes = static_cast(c); if (changes & Molecule::UnitCell) { if (changes & Molecule::Added || changes & Molecule::Removed) updateActions(); } } void Yaehmop::updateActions() { // Disable everything for nullptr molecules. if (!m_molecule) { foreach (QAction* action, m_actions) action->setEnabled(false); return; } // Only display the actions if there is a unit cell if (m_molecule->unitCell()) { foreach (QAction* action, m_actions) action->setEnabled(true); } else { foreach (QAction* action, m_actions) action->setEnabled(false); } } void Yaehmop::readSettings() { QSettings settings; m_yaehmopSettings.numBandKPoints = settings.value("yaehmop/bandOptions/numBandKPoints", 40).toUInt(); m_yaehmopSettings.displayYaehmopInput = settings.value("yaehmop/general/displayYaehmopInput", false).toBool(); m_yaehmopSettings.limitY = settings.value("yaehmop/general/limitY", false).toBool(); m_yaehmopSettings.minY = settings.value("yaehmop/general/minY", 0.0).toDouble(); m_yaehmopSettings.maxY = settings.value("yaehmop/general/maxY", 0.0).toDouble(); m_yaehmopSettings.plotFermi = settings.value("yaehmop/general/plotFermi", false).toBool(); m_yaehmopSettings.fermi = settings.value("yaehmop/general/fermi", 0.0).toDouble(); m_yaehmopSettings.zeroFermi = settings.value("yaehmop/general/zeroFermi", false).toBool(); m_yaehmopSettings.numDim = settings.value("yaehmop/general/numDim", 3).toUInt(); } void Yaehmop::writeSettings() { QSettings settings; settings.setValue("yaehmop/bandOptions/numBandKPoints", m_yaehmopSettings.numBandKPoints); settings.setValue("yaehmop/general/displayYaehmopInput", m_yaehmopSettings.displayYaehmopInput); settings.setValue("yaehmop/general/limitY", m_yaehmopSettings.limitY); settings.setValue("yaehmop/general/minY", m_yaehmopSettings.minY); settings.setValue("yaehmop/general/maxY", m_yaehmopSettings.maxY); settings.setValue("yaehmop/general/plotFermi", m_yaehmopSettings.plotFermi); settings.setValue("yaehmop/general/fermi", m_yaehmopSettings.fermi); settings.setValue("yaehmop/general/zeroFermi", m_yaehmopSettings.zeroFermi); settings.setValue("yaehmop/general/numDim", m_yaehmopSettings.numDim); } void Yaehmop::displayBandDialog() { if (!m_molecule) { qDebug() << "Error in " << __FUNCTION__ << ": the molecule is not set"; return; } if (!m_molecule->unitCell()) { QMessageBox::warning(nullptr, tr("Avogadro2"), tr("Cannot calculate band structure: no unit cell!")); qDebug() << "Error in " << __FUNCTION__ << ": there is no unit cell"; return; } // Generate the special k points before displaying the dialog m_yaehmopSettings.specialKPoints = SpecialKPoints::getSpecialKPoints(*m_molecule); if (m_yaehmopSettings.specialKPoints.isEmpty()) m_yaehmopSettings.specialKPoints = YAEHMOP_DEFAULT_SPECIAL_KPOINTS; // Do nothing if the user cancels if (m_bandDialog->exec() != QDialog::Accepted) return; // Save the settings for future use writeSettings(); calculateBandStructure(); } // Get the distance between two k points double Yaehmop::kpointDistance(const Vector3& a, const Vector3& b) { if (!m_molecule) { qDebug() << "Error in" << __FUNCTION__ << ": the molecule is not set"; return -1.0; } UnitCell* cell = m_molecule->unitCell(); if (!cell) { qDebug() << "Error in " << __FUNCTION__ << ": there is no unit cell"; return -1.0; } // We need to find the reciprocal space basis vectors, and we // need to find the actual k point location in reciprocal space. const Vector3& aVec = cell->aVector(); const Vector3& bVec = cell->bVector(); const Vector3& cVec = cell->cVector(); Vector3 b1 = bVec.cross(cVec); Vector3 b2 = cVec.cross(aVec); Vector3 b3 = aVec.cross(bVec); // This is how VASP does it. // If it's good enough for VASP, it's good enough for me! double omega = aVec[0] * b1[0] + aVec[1] * b1[1] + aVec[2] * b1[2]; b1 /= omega; b2 /= omega; b3 /= omega; // Calculate the reciprocal points const Vector3& recA(a[0] * b1 + a[1] * b2 + a[2] * b3); const Vector3& recB(b[0] * b1 + b[1] * b2 + b[2] * b3); return (recA - recB).norm(); } void Yaehmop::calculateBandStructure() { // First, create the input QString input; input += "Title\n"; // Title input += createGeometryAndLatticeInput(); // Here we describe the number of k points connecting each special // k point, the number of special k points, and their locations // in reciprocal space. This is something we will let the user change input += "Band\n"; // This is the number of kpoints connecting each special k point input += (QString::number(m_yaehmopSettings.numBandKPoints) + "\n"); // Num special k points int numSK = m_yaehmopSettings.specialKPoints .split(QRegularExpression("[\r\n]"), Qt::SkipEmptyParts) .size(); input += (QString::number(numSK) + "\n"); // num special k points // Add the whole string from user input input += m_yaehmopSettings.specialKPoints; // Perform the yaehmop calculation QByteArray output; QString err; if (!executeYaehmop(input.toLocal8Bit(), output, err)) { QMessageBox::warning( nullptr, tr("Avogadro2"), tr("Yaehmop execution failed with the following error:\n%1").arg(err)); qDebug() << "Yaehmop execution failed with the following error:\n" << err; return; } // Now, read the output QVector> bands; QVector kpoints; QVector specialKPoints; if (!YaehmopOut::readBandData(output, bands, kpoints, specialKPoints)) { QString message = tr("Failed to read band structure output from Yaehmop!"); QMessageBox::warning(nullptr, tr("Avogadro2"), message); qDebug() << message; } int numKPoints = kpoints.size(); int numSpecialKPoints = specialKPoints.size(); // If there is only one special k point, there is nothing to graph. Just // return. if (numSpecialKPoints <= 1) { QString message = tr("Only one special k point was found in Yaehmop output! Two or more " "are required!"); QMessageBox::warning(nullptr, tr("Avogadro2"), message); qDebug() << message; return; } // Calculate the k-space distances std::vector xVals{ 0.0 }; for (int i = 1; i < numKPoints; ++i) xVals.push_back(kpointDistance(kpoints[i - 1], kpoints[i]) + xVals.back()); // Calculate the special k point distances std::vector specialKPointVals{ 0.0 }; for (int i = 1; i < numSpecialKPoints; ++i) { specialKPointVals.push_back( kpointDistance(specialKPoints[i - 1].coords, specialKPoints[i].coords) + specialKPointVals.back()); } // This is to make sure vtk shows the symbols on the far left and right specialKPointVals.front() += 0.0001; specialKPointVals.back() -= 0.0001; // Make a vector of labels for the special k points std::vector specialKPointLabels; for (int i = 0; i < numSpecialKPoints; ++i) { std::string label = specialKPoints[i].label.toStdString(); specialKPointLabels.push_back(label); } // Now generate a plot with the data std::vector> data; data.push_back(xVals); // Make some labels std::vector lineLabels; // Set the color std::array color = { 255, 0, 0, 255 }; std::vector> lineColors; size_t curBandNum = 1; for (const auto& band : bands) { std::vector tmp(band.begin(), band.end()); data.push_back(tmp); lineLabels.push_back(tr("Band %1").arg(curBandNum).toStdString()); lineColors.push_back(color); ++curBandNum; } // Should we plot the fermi level? if (m_yaehmopSettings.plotFermi) { // Adjust all the energies if we are to zero the fermi level double fermi = m_yaehmopSettings.fermi; if (m_yaehmopSettings.zeroFermi) { // Skip the first vector because that is the x values for (size_t i = 1; i < data.size(); ++i) { for (auto& datum : data[i]) datum -= fermi; } // Fermi is now zero fermi = 0.0; } // Create a horizontal, black, dashed line for the fermi level lineLabels.push_back(tr("Fermi Level").toStdString()); lineColors.push_back({ 0, 0, 0, 255 }); std::vector fermiVals(xVals.size(), fermi); data.push_back(std::move(fermiVals)); } const char* xTitle = ""; const char* yTitle = "Energy (eV)"; const char* windowName = "YAeHMOP Band Structure"; if (!m_chartDialog) { m_chartDialog.reset( new VTK::ChartDialog(qobject_cast(this->parent()))); } m_chartDialog->setWindowTitle(windowName); auto* chart = m_chartDialog->chartWidget(); chart->clearPlots(); chart->addPlots(data, VTK::color4ub{ 255, 0, 0, 255 }); chart->setXAxisTitle(xTitle); chart->setYAxisTitle(yTitle); chart->setTickLabels(VTK::ChartWidget::Axis::x, specialKPointVals, specialKPointLabels); chart->setAxisLimits(VTK::ChartWidget::Axis::x, xVals.front(), xVals.back()); if (m_yaehmopSettings.limitY) { chart->setAxisLimits(VTK::ChartWidget::Axis::y, m_yaehmopSettings.minY, m_yaehmopSettings.maxY); } m_chartDialog->show(); // Show the yaehmop input if we are to do so if (m_yaehmopSettings.displayYaehmopInput) showYaehmopInput(input); } QString Yaehmop::createGeometryAndLatticeInput() const { if (!m_molecule) { qDebug() << "Error in " << __FUNCTION__ << ": the molecule is not set"; return ""; } UnitCell* cell = m_molecule->unitCell(); if (!cell) { QMessageBox::warning(nullptr, tr("Avogadro2"), tr("Cannot calculate band structure: no unit cell!")); qDebug() << "Error in " << __FUNCTION__ << ": there is no unit cell"; return ""; } const Array& atomicNumbers = m_molecule->atomicNumbers(); const Array& atomicPositions = m_molecule->atomPositions3d(); // This is the minimum number we allow doubles. If a number's float // absolute value is smaller than this, we will round it to 0. double minNum = 1e-8; QString input; input += "Geometry\n"; // Begin geometry section int numAtoms = atomicNumbers.size(); // Num atoms plus (numDimensions + 1) dummies. // Dummies are for defining the lattice unsigned short numDim = m_yaehmopSettings.numDim; input += (QString::number(numAtoms + numDim + 1) + QString("\n")); // Now loop through atom positions and add them for (int i = 0; i < numAtoms; ++i) { QString symbol = Elements::symbol(atomicNumbers[i]); const Vector3& pos = atomicPositions[i]; input += (QString::number(i + 1) + " "); input += (symbol + " "); for (size_t j = 0; j < 3; ++j) // If the position is small, just use 0 input += (QString::number((fabs(pos[j]) > 1e-8 ? pos[j] : 0)) + " "); input += "\n"; } // Get the cell matrix const Matrix3& cellMatrix = cell->cellMatrix(); // Add the dummy atoms - these tell the program where the lattice is for (unsigned short i = 0; i <= numDim; ++i) { input += (QString::number(numAtoms + i + 1) + " "); // Symbol for dummy atoms input += "& "; // First dummy is at 0,0,0, the other dummies are at the ends of the // lattice if (i == 0) { input += "0 0 0\n"; } else { // We only get here if i > 0. // i - 1 is equal to the index of the vector we are looking at. for (unsigned short j = 0; j < 3; ++j) { double val = cellMatrix(i - 1, j); if (fabs(val) < minNum) val = 0.0; input += (QString::number(val) + " "); } input += "\n"; } } // Let's calculate the number of overlaps to use // The manual says that numOverlaps * latticeVecLength should be between // 10 and 20 Angstroms. Let's always use a numOverlaps of at least 3 and // then use more if numOverlaps * latticeVecLength < 20. Vector3i overlaps(3, 3, 3); Vector3 latticeLengths(cell->a(), cell->b(), cell->c()); for (unsigned short i = 0; i < 3; ++i) { while (overlaps[i] * latticeLengths[i] < 20) ++overlaps[i]; } // Lattice section to define the lattice input += "lattice\n"; input += QString::number(numDim) + "\n"; // Add numbers of overlaps for (size_t i = 0; i < numDim; ++i) input += (QString::number(overlaps[i]) + " "); input += "\n"; // If we have "4 5" here, that means the vector is defined // from atom 4 to atom 5. We use dummy atoms for this. The first dummy // atom (numAtoms + 1) is always at the origin, and the other dummy atoms // are at the ends of the a, b, and c axes. for (size_t i = 0; i < numDim; ++i) { input += (QString::number(numAtoms + 1) + " " + QString::number(numAtoms + i + 2) + "\n"); } return input; } // Uncomment this for executeYaehmop debugging // #define AVOGADRO_YAEHMOP_EXECUTE_DEBUG bool Yaehmop::executeYaehmop(const QByteArray& input, QByteArray& output, QString& err) { #ifdef AVOGADRO_YAEHMOP_EXECUTE_DEBUG qDebug() << "executeYaehmop() input is:\n" << qPrintable(input); #endif QString program = m_programPath; if (program.isEmpty()) { QMessageBox::warning(nullptr, tr("Avogadro"), tr("Cannot find Yaehmop")); return false; } QStringList args; args << "--use_stdin_stdout"; QProcess p; p.start(program, args); if (!p.waitForStarted()) { qDebug() << tr("Error: %1 failed to start").arg(program); return false; } // Give it the input! p.write(input.data()); // Close the write channel p.closeWriteChannel(); if (!p.waitForFinished()) { err = tr("Error: " + program.toLocal8Bit() + " failed to finish"); qDebug() << err; output = p.readAllStandardOutput(); qDebug() << "Output is as follows:\n" << qPrintable(output); return false; } int exitStatus = p.exitStatus(); output = p.readAllStandardOutput(); if (exitStatus == QProcess::CrashExit) { qDebug() << "Error: Yahemop crashed!"; qDebug() << "Output is as follows:\n" << qPrintable(output); return false; } if (exitStatus != QProcess::NormalExit) { qDebug() << "Error: Yahemop finished abnormally with exit code " << exitStatus; qDebug() << "Output is as follows:\n" << qPrintable(output); return false; } #ifdef AVOGADRO_YAEHMOP_EXECUTE_DEBUG qDebug() << "executeYaehmop() output is:\n" << qPrintable(output); #endif // We did it! return true; } void Yaehmop::showYaehmopInput(const QString& input) { auto* dialog = new QDialog(qobject_cast(this->parent())); // Make sure this gets deleted upon closing dialog->setAttribute(Qt::WA_DeleteOnClose); auto* layout = new QVBoxLayout(dialog); dialog->setLayout(layout); dialog->setWindowTitle(tr("Yaehmop Input")); auto* edit = new QTextEdit(dialog); layout->addWidget(edit); dialog->resize(500, 500); edit->setText(input); dialog->show(); } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/yaehmop/yaehmop.h000066400000000000000000000045661474375334400234630ustar00rootroot00000000000000/******************************************************************************* This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). *******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_YAEHMOP_H #define AVOGADRO_QTPLUGINS_YAEHMOP_H #include "banddialog.h" #include "yaehmopsettings.h" #include #include #include #include // Forward declarations class QByteArray; namespace Avogadro::QtPlugins { /** * @brief Perform extended Hückel calculations with yaehmop. */ class Yaehmop : public Avogadro::QtGui::ExtensionPlugin { Q_OBJECT public: explicit Yaehmop(QObject* parent_ = nullptr); ~Yaehmop(); QString name() const override { return tr("Yaehmop"); } QString description() const override; QList actions() const override; QStringList menuPath(QAction*) const override; public slots: void setMolecule(QtGui::Molecule* mol) override; void moleculeChanged(unsigned int changes); private slots: void updateActions(); void displayBandDialog(); private: void readSettings(); void writeSettings(); // This pops up a dialog box with the yaehmop input inside void showYaehmopInput(const QString& input); // Get the distance between two k points double kpointDistance(const Avogadro::Vector3& a, const Avogadro::Vector3& b); void calculateBandStructure(); QString createGeometryAndLatticeInput() const; // Use QProcess to execute yaehmop // If the YAEHMOP_EXECUTABLE environment variable is set, that will be // used for the executable. Otherwise, it will search for the executable in // some common places and use it if it can be found. bool executeYaehmop(const QByteArray& input, QByteArray& output, QString& err); QString m_programPath; QList m_actions; QtGui::Molecule* m_molecule; YaehmopSettings m_yaehmopSettings; std::unique_ptr m_bandDialog; std::unique_ptr m_displayBandDialogAction; QScopedPointer m_chartDialog; }; inline QString Yaehmop::description() const { return tr("Perform extended Hückel calculations with yaehmop."); } } // namespace Avogadro::QtPlugins #endif // AVOGADRO_QTPLUGINS_YAEHMOPEXTENSION_H avogadrolibs-1.100.0/avogadro/qtplugins/yaehmop/yaehmopout.cpp000066400000000000000000000105451474375334400245400ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "yaehmopout.h" #include #include #include #include #include namespace Avogadro::QtPlugins { inline bool printAndReturnFalse(const QString& error) { qDebug() << "Error in YaehmopOut:" << error; return false; } bool YaehmopOut::readBandData(const QString& data, QVector>& bands, QVector& kpoints, QVector& specialKPoints) { bands.clear(); kpoints.clear(); specialKPoints.clear(); QStringList lines = data.split(QRegularExpression("[\r\n]"), Qt::SkipEmptyParts); while (!lines.isEmpty() && !lines[0].contains("#BAND_DATA")) lines.removeFirst(); if (lines.isEmpty()) return printAndReturnFalse("Band Data not found in readBandData()!"); // These get printed from the status file and are not needed... foreach (const QString& line, lines) { if (line.contains("Error value from Diagonalization")) lines.removeOne(line); if (line.contains("On entry to ZHEGV , parameter number 6 had an illegal value")) lines.removeOne(line); } // Right here, lines.size() must be at least 8 if (lines.size() < 8) return printAndReturnFalse("Band data is too few lines!"); long long ind = 2; if (!lines[ind].contains("Special points")) return printAndReturnFalse("Special points missing"); int numSpecialPoints = lines[ind].split(" ")[0].toInt(); // Now we know more details about how many lines should be here if (lines.size() < 7 + numSpecialPoints) return printAndReturnFalse("Too few lines of data in band data!"); ++ind; if (!lines[ind].contains("k points")) return printAndReturnFalse("k points missing"); size_t numKPoints = lines[ind].split(" ")[0].toInt(); ++ind; if (!lines[ind].contains("orbitals in")) return printAndReturnFalse("orbitals in missing"); ; size_t numOrbitals = lines[ind].split(" ")[0].toInt(); for (int i = 0; i < numSpecialPoints; ++i) { ++ind; specialKPoint kp; if (lines[ind].split(" ").size() < 4) return printAndReturnFalse("Special points line too small"); kp.label = lines[ind].split(" ")[0]; // If the label is "GM", use "Γ" instead // FIXME: our vtk can't currently display a unicode gamma like this. When // we add a font that can, we can uncomment this. // if (kp.label.toLower() == "gm") // kp.label = QString::fromUtf8("Γ"); kp.coords = Vector3(lines[ind].split(" ")[1].toDouble(), lines[ind].split(" ")[2].toDouble(), lines[ind].split(" ")[3].toDouble()); specialKPoints.append(kp); } ++ind; if (!lines[ind].contains("Begin band data")) return printAndReturnFalse("Begin band data missing"); // This should be equal in size to the number of orbitals bands.reserve(numOrbitals); for (size_t i = 0; i < numOrbitals; ++i) { bands.append(QVector()); // This is how many points we should have in total bands[i].reserve(numKPoints * (numSpecialPoints - 1) + 1); } // This is how many points we should have in total kpoints.reserve(numKPoints * (numSpecialPoints - 1) + 1); ++ind; while (true) { // Did we make it to the end without finishing the band data? if (ind >= lines.size()) return printAndReturnFalse("END_BAND_DATA is missing!"); // Did we make it to the end? if (lines[ind].contains("END_BAND_DATA")) break; // Read the k-point info if (!lines[ind].contains("K point") || lines[ind].split(" ").size() < 6) { return printAndReturnFalse("K point missing"); } Vector3 kp = Vector3(lines[ind].split(" ")[3].toDouble(), lines[ind].split(" ")[4].toDouble(), lines[ind].split(" ")[5].toDouble()); kpoints.append(kp); // Get the orbital energies for (size_t j = 0; j < numOrbitals; ++j) { ++ind; bands[j].append(lines[ind].trimmed().toDouble()); } ++ind; } // We made it! return true; } } // namespace Avogadro::QtPlugins avogadrolibs-1.100.0/avogadro/qtplugins/yaehmop/yaehmopout.h000066400000000000000000000023351474375334400242030ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_YAEHMOP_OUT_H #define AVOGADRO_QTPLUGINS_YAEHMOP_OUT_H #include #include #include namespace Avogadro::QtPlugins { typedef struct { QString label; Vector3 coords; } specialKPoint; // Static class for Yaehmop output class YaehmopOut { public: // Pass the yaehmop output in as 'data'. It would be faster if this only // included the section from BAND_DATA to END_BAND_DATA, but it is not // necessary. This sets bands, kpoints, and specialKPoints to be the // bands, the kpoints, and the special k points. Returns true if the // read was successful, and false if the read failed static bool readBandData(const QString& data, QVector>& bands, QVector& kpoints, QVector& specialKPoints); }; } // namespace Avogadro::QtPlugins #endif // AVOGADRO_QTPLUGINS_YAEHMOPOUT_H avogadrolibs-1.100.0/avogadro/qtplugins/yaehmop/yaehmopsettings.h000066400000000000000000000020461474375334400252330ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QTPLUGINS_YAEHMOPSETTINGS_H #define AVOGADRO_QTPLUGINS_YAEHMOPSETTINGS_H #include namespace Avogadro::QtPlugins { static const char* YAEHMOP_DEFAULT_SPECIAL_KPOINTS = "GM 0 0 0"; struct YaehmopSettings { YaehmopSettings() : numBandKPoints(40), specialKPoints(YAEHMOP_DEFAULT_SPECIAL_KPOINTS), displayYaehmopInput(false), limitY(false), minY(0.0), maxY(0.0), plotFermi(false), fermi(0.0), zeroFermi(false), numDim(3){}; unsigned long long numBandKPoints; QString specialKPoints; bool displayYaehmopInput; bool limitY; double minY; double maxY; bool plotFermi; double fermi; bool zeroFermi; unsigned short numDim; }; } // namespace Avogadro::QtPlugins #endif // AVOGADRO_QTPLUGINS_YAEHMOPSETTINGS_H avogadrolibs-1.100.0/avogadro/quantumio/000077500000000000000000000000001474375334400201675ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/quantumio/CMakeLists.txt000066400000000000000000000010061474375334400227240ustar00rootroot00000000000000add_library(QuantumIO) avogadro_headers(QuantumIO gamessus.h gaussianfchk.h gaussiancube.h genericoutput.h molden.h mopacaux.h nwchemjson.h nwchemlog.h orca.h ) # Source files for our data. target_sources(QuantumIO PRIVATE gamessus.cpp gaussianfchk.cpp gaussiancube.cpp genericoutput.cpp molden.cpp mopacaux.cpp nwchemjson.cpp nwchemlog.cpp orca.cpp ) avogadro_add_library(QuantumIO) target_link_libraries(QuantumIO PUBLIC Avogadro::IO PRIVATE nlohmann_json::nlohmann_json ) avogadrolibs-1.100.0/avogadro/quantumio/gamessukout.cpp000066400000000000000000000577731474375334400232650ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "gamessukout.h" #include #include #include #include #include using Eigen::Vector3d; using std::vector; namespace Avogadro { namespace QuantumIO { using Quantum::D; using Quantum::F; using Quantum::P; using Quantum::S; using Quantum::SP; using Quantum::UU; using Quantum::orbital; //! Break a string (supplied as the second argument) into tokens, returned //! in the first argument. Tokens are determined by the delimiters supplied bool tokenize(std::vector& vcr, const char* buf, const char* delimstr) { // Not the most efficient way to do this, but this avoids using GPL code // from openbabel. if (!buf || !delimstr) return false; QString tmp(buf); tmp += "\n"; // for compatibility with old behavior vcr.clear(); QString splitString("["); splitString += QString(delimstr); splitString += QString("]"); QRegularExpression splitter(splitString); foreach (const QString& str, tmp.split(splitter, Qt::SkipEmptyParts)) vcr.push_back(str.toStdString()); return true; } //! Removes white space from front and back of string std::string& Trim(std::string& txt) { // Not the most efficient way to do this, but this avoids using GPL code // from openbabel. txt = QString::fromStdString(txt).trimmed().toStdString(); return txt; } /** * This purloined from: http://www.codeguru.com/forum/showthread.php?t=231054 */ template bool from_string(T& t, const std::string& s, std::ios_base& (*f)(std::ios_base&)) { std::istringstream iss(s); return !(iss >> f >> t).fail(); } void GUKBasisSet::outputCoord() { std::cout << "Coordinates:\n"; for (unsigned int i = 0; i < coordinates.size(); i++) { printf("%d: %3s %10f %10f %10f\n", i, atomLabels[i].c_str(), coordinates[i][0], coordinates[i][1], coordinates[i][2]); } } // end outputCoord void GUKBasisSet::outputBasis() { std::cout << "Basis functions" << std::endl; int prev; for (unsigned int i = 0; i < shellLabels.size(); i++) { std::cout << "Atom(" << i << "): " << shellLabels.at(i) << std::endl; // std::cout << "shells at(i).size() " << shells.at(i).size() << std::endl; for (unsigned int j = 0; j < shells.at(i).size(); j++) { // The first indexes are different as they are the indexes held at the // end of the last shell or 0 for the first one if (i == 0 && j == 0) prev = 0; else if (j == 0) prev = gtoIndicies.at(i - 1).back(); else prev = gtoIndicies.at(i).at(j - 1); std::cout << "shell type " << shells.at(i).at(j) << std::endl; for (unsigned int k = prev; k < gtoIndicies.at(i).at(j); k++) { std::cout << " e = " << gtoExponents.at(k) << " c = " << gtoCoefficients.at(k) << std::endl; } } } std::cout << "Read in nShell " << nShell << std::endl; std::cout << "Read in nBasisFunctions " << nBasisFunctions << std::endl; std::cout << "Read in nElectrons " << nElectrons << std::endl; } // end outputBasis bool GUKBasisSet::labelIndex(std::string label) { for (unsigned int i = 0; i < shellLabels.size(); i++) if (shellLabels.at(i) == label) return true; return false; } // end labelIndex orbital GUKBasisSet::shellTypeFromString(std::string label) { /** * Return the enum from basis.h for the supplied label as a string * basisset.h: enum orbital { S, SP, P, D, D5, F, F7, UU }; * The label is from the GAMESS-UK basis set label, which is printed as shown below: * shell type prim exponents contraction coefficients * 1 1s 3 5.533350 1.801737 ( 0.700713 ) * or * 2 2sp 4 3.664980 -0.747384 ( -0.395897 ) 1.709178 ( 0.236460 ) */ // Could be e.g. 's', 'l', '2sp' or '1s'. // We assume that if it is longer then 1 character long, the rest is the label if (label.size() > 1) { // Remove the shell number label = label.substr(1, std::string::npos); } // Check for sp if (label.size() == 2) { if (label.compare(0, 2, "sp") == 0) return SP; } if (label.size() == 1) { if (label == "l") return SP; if (label == "s") return S; if (label == "p") return P; if (label == "d") return D; } // end label of length 1 // if we get here, it's all gone wrong... std::cerr << "ERROR: shellTypeFromString with label: " << label << std::endl; return UU; } GamessukOut::GamessukOut(const QString& qtfilename, GaussianSet* basis) { std::string filename; filename = qtfilename.toStdString(); GamessukOutNoQt(filename, basis); } // end GamessukOut GamessukOut::~GamessukOut() {} // end ~GamessukOut void GamessukOut::GamessukOutNoQt(const std::string& filename, GaussianSet* basis) { bool ok; std::ifstream ifs; ifs.open(filename.c_str()); if (!ifs) { std::cerr << "Cannot open: " << filename << "\n"; return; } // Initialise the basis set object that holds the parsed data before we // convert // it into Avogadro form gukBasis = GUKBasisSet(); // Now read the file ok = parseFile(ifs); ifs.close(); if (ok) { // outputParsedData(); // Create the Avogadro basis set object load(basis); } else std::cerr << "ERROR READING ORBITALS FROM FILE: " << filename << std::endl; } // end GamessukOutNoQt void GamessukOut::outputParsedData() { gukBasis.outputCoord(); gukBasis.outputBasis(); } // end outputParsedData bool GamessukOut::parseFile(std::ifstream& ifs) { /** * Loop through the file, calling routines that read in the data of interest * into the GUKBasisSet object * Is currently pretty rudimentary - could do with lots of error trapping to * check all o.k. */ bool gotMOs = false; // used as return value - indicates if we have valid // orbitals for the coordinates we've read in while (ifs.good() && ifs.getline(buffer, BUFF_SIZE)) { // First find oriented geometry - use this for single-point calculations if (strstr(buffer, " * atom atomic coordinates") != nullptr) { readInitialCoordinates(ifs); } // The basis set definition if (strstr(buffer, " atom shell type prim exponents " " contraction coefficients") != nullptr) { readBasisSet(ifs); } // Determine the scftype - can't do uhf yet if (strstr(buffer, " * SCF TYPE") != nullptr) { tokenize(tokens, buffer, " \t\n"); if (tokens[3].compare(0, 6, "rhf") != 0) { std::cerr << "ERROR: can currently only do rhf!\n"; return false; } } // The converged geometry if (strstr(buffer, "optimization converged") != nullptr) { readOptimisedCoordinates(ifs); if (gotMOs) gotMOs = false; // If we read in some MOs they are now redundant } // The molecular orbitals if (strstr( buffer, " eigenvectors") != nullptr || strstr(buffer, " molecular orbitals") != nullptr) { readMOs(ifs); gotMOs = true; } } return gotMOs; } void GamessukOut::readInitialCoordinates(std::ifstream& ifs) { // string to mark end of the coordinates char coordEnd[86] = " " "********************************************************" "********************"; double x = 0.0, y = 0.0, z = 0.0; // skip five lines ifs.getline(buffer, BUFF_SIZE) && ifs.getline(buffer, BUFF_SIZE) && ifs.getline(buffer, BUFF_SIZE) && ifs.getline(buffer, BUFF_SIZE) && ifs.getline(buffer, BUFF_SIZE); while (strstr(buffer, coordEnd) == nullptr) { // std::cout << "COORD line" << buffer << std::endl; // ifs.getline(buffer, BUFF_SIZE); tokenize(tokens, buffer, " \t\n"); if (tokens.size() == 8) { // std::cout << "Coord line" << buffer << std::endl; gukBasis.atomLabels.push_back(tokens.at(1)); from_string(x, tokens.at(3), std::dec); from_string(y, tokens.at(4), std::dec); from_string(z, tokens.at(5), std::dec); gukBasis.coordinates.push_back( Eigen::Vector3d(x, y, z)); // Want coordinates in Bohr } ifs.getline(buffer, BUFF_SIZE); } } void GamessukOut::readBasisSet(std::ifstream& ifs) { // std::cout << "readBasisSet\n"; bool newAtom = true, gotAtom = false, firstAtom = true; std::string atomLabel; double exponent, coefficient; orbital stype; int nshell = -1; int lastNshell = -1; // the last shell number - is same as nshell when looping // through a shell int lastStype = -1; // need to keep track of sp shells as we split into s & p // For separating sp-shells std::vector s_coeff; std::vector p_coeff; std::vector sp_exponents; // skip 2 lines to be just before the first atom label ifs.getline(buffer, BUFF_SIZE) && ifs.getline(buffer, BUFF_SIZE); // now loop through the basis sets till we hit the end while (!ifs.eof()) { ifs.getline(buffer, BUFF_SIZE); line = buffer; if (line.compare(0, 10, " =========") == 0) { // End of basis - add indicies of where the coffecients and exponents of // the GTOs for the last shell end gukBasis.gtoIndicies.at(gukBasis.shellLabels.size() - 1) .push_back(static_cast(gukBasis.gtoExponents.size())); break; } // Remove blank space line = Trim(line); // skip blank lines if (line.size() == 0) continue; // Separate into tokens if (!tokenize(tokens, line.c_str(), " \t\n") || tokens.size() == 0) { // If the string couldn't be tokenised, set tokens[0] to the entire string tokens.clear(); tokens.push_back(line); } if (tokens.size() == 1) { // This means a new atomLabel newAtom = true; if (firstAtom) firstAtom = false; else { // Check if the last shell was sp - if so add the temp sp data // structures // to the main ones if (lastStype == SP) { addSpBasis(s_coeff, p_coeff, sp_exponents); // Clear the temp data structures for separating out sp into s & p s_coeff.clear(); p_coeff.clear(); sp_exponents.clear(); lastStype = -1; } else { // Add the index for where the GTO coffecients and exponents for the // previous shell start gukBasis.gtoIndicies.at(gukBasis.shellLabels.size() - 1) .push_back(static_cast(gukBasis.gtoExponents.size())); } } // end firstAtom // Check if we've already processed an atom of this type if (!gukBasis.labelIndex(tokens.at(0))) { // std::cout << "Processing atom label: " << tokens.at(0) << std::endl; gotAtom = false; // we'll be processing this atom gukBasis.shellLabels.push_back(tokens.at(0)); gukBasis.shells.push_back(std::vector()); gukBasis.gtoIndicies.push_back(std::vector()); } else gotAtom = true; continue; } // End new atomLabel // if we're not processing an atom we can skip this line if (gotAtom) continue; /* Here we are reading in a line of the format: shell type prim exponents contraction coefficients 1 1s 3 5.533350 1.801737 ( 0.700713 ) or 2 2sp 4 3.664980 -0.747384 ( -0.395897 ) 1.709178 ( 0.236460 ) */ from_string(nshell, tokens.at(0), std::dec); if (nshell != lastNshell) { // Reading a new shell if (!newAtom) { // Add the data for the last shell processed // First check if last shell was sp & we need to add the data we've // gathered to the main structures if (lastStype == SP) { addSpBasis(s_coeff, p_coeff, sp_exponents); // Clear the temp data structures for separating out sp into s & p s_coeff.clear(); p_coeff.clear(); sp_exponents.clear(); } else { // Add the index for where the primitives for the last shell finish gukBasis.gtoIndicies.at(gukBasis.shellLabels.size() - 1) .push_back(static_cast(gukBasis.gtoExponents.size())); } // end sp shell } // end newAtom // need to determine type stype = gukBasis.shellTypeFromString(tokens.at(1)); // std::cout << "Reading new shell of type " << stype << std::endl; if (stype != SP) { // Add shell to symmetry list and AtomToShellIndex if not sp shell as we // do that separately gukBasis.shells.at(gukBasis.shellLabels.size() - 1).push_back(stype); } } // end new shell // Now check for coefficients - we take the second lot to match Gaussian from_string(exponent, tokens.at(3), std::dec); if (stype == SP) { if (tokens.size() != 12) std::cerr << "PROBLEM READING SP LINE!\n"; from_string(coefficient, tokens.at(6), std::dec); s_coeff.push_back(coefficient); from_string(coefficient, tokens.at(10), std::dec); p_coeff.push_back(coefficient); sp_exponents.push_back(exponent); } else { // std::cout << "Adding exponent " << exponent << std::endl; gukBasis.gtoExponents.push_back(exponent); from_string(coefficient, tokens.at(6), std::dec); gukBasis.gtoCoefficients.push_back(coefficient); } // end type == SP lastNshell = nshell; lastStype = stype; newAtom = false; } // end while // Finished reading the basis data - now just collect some data from the // summary - mainly for checking ifs.getline(buffer, BUFF_SIZE); // blank // nShell ifs.getline(buffer, BUFF_SIZE); if (strstr(buffer, " total number of shells") == nullptr) std::cerr << "Error reading nShell!: " << line << std::endl; // reuse nshell from above as temporary variable tokenize(tokens, buffer, " \t\n"); from_string(nshell, tokens.at(4), std::dec); gukBasis.nShell = nshell; // nBasisFunctions ifs.getline(buffer, BUFF_SIZE); if (strstr(buffer, " total number of basis") == nullptr) std::cerr << "Error reading nBasisFunctions!: " << line << std::endl; tokenize(tokens, buffer, " \t\n"); // reuse nshell from above as temporary variable from_string(nshell, tokens.at(5), std::dec); gukBasis.nBasisFunctions = nshell; // nElectrons ifs.getline(buffer, BUFF_SIZE); if (strstr(buffer, " number of electrons") == nullptr) std::cerr << "Error reading nElectrons!: " << line << std::endl; tokenize(tokens, buffer, " \t\n"); // reuse nshell from above as temporary variable from_string(nshell, tokens.at(3), std::dec); gukBasis.nElectrons = nshell; } // end readBasisSet inline void GamessukOut::addSpBasis(std::vector s_coeff, std::vector p_coeff, std::vector sp_exponents) { // Convenience function for adding separated sp basis // Add s gukBasis.shells.at(gukBasis.shellLabels.size() - 1).push_back(S); for (unsigned int i = 0; i < s_coeff.size(); i++) { gukBasis.gtoExponents.push_back(sp_exponents[i]); gukBasis.gtoCoefficients.push_back(s_coeff[i]); } gukBasis.gtoIndicies.at(gukBasis.shellLabels.size() - 1) .push_back(static_cast(gukBasis.gtoExponents.size())); // Add p gukBasis.shells.at(gukBasis.shellLabels.size() - 1).push_back(P); for (unsigned int i = 0; i < p_coeff.size(); i++) { gukBasis.gtoExponents.push_back(sp_exponents[i]); gukBasis.gtoCoefficients.push_back(p_coeff[i]); } gukBasis.gtoIndicies.at(gukBasis.shellLabels.size() - 1) .push_back(static_cast(gukBasis.gtoExponents.size())); } // end addSpBasis void GamessukOut::readOptimisedCoordinates(std::ifstream& ifs) { // std::cout << "readOptimisedCoordinates\n"; double x, y, z; // Nuke the old coordinates gukBasis.atomLabels.clear(); gukBasis.coordinates.clear(); ifs.getline(buffer, BUFF_SIZE); while (!ifs.eof()) { // This for some optimize runtypes if (strstr( buffer, " x y z chg tag") != nullptr) { // std::cout << "start of opt coord\n"; // Skip 2 lines - should then be at the coordinates ifs.getline(buffer, BUFF_SIZE) && ifs.getline(buffer, BUFF_SIZE); while (!ifs.eof()) { // End of geometry block if (strstr(buffer, " " "===================================================" "=========") != nullptr) return; tokenize(tokens, buffer, " \t\n"); from_string(x, tokens.at(0), std::dec); from_string(y, tokens.at(1), std::dec); from_string(z, tokens.at(2), std::dec); gukBasis.coordinates.push_back(Eigen::Vector3d(x, y, z)); gukBasis.atomLabels.push_back(tokens.at(4)); ifs.getline(buffer, BUFF_SIZE); } // end while } else if (strstr(buffer, "atom znuc x y z") != nullptr) { // print "start of opt coord 2" // Skip 3 lines - should then be at the coordinates ifs.getline(buffer, BUFF_SIZE) && ifs.getline(buffer, BUFF_SIZE) && ifs.getline(buffer, BUFF_SIZE); while (!ifs.eof()) { // End of geometry block if (strstr(buffer, "*************************") != nullptr) return; tokenize(tokens, buffer, " \t\n"); gukBasis.atomLabels.push_back(tokens.at(0)); from_string(x, tokens.at(3), std::dec); from_string(y, tokens.at(4), std::dec); from_string(z, tokens.at(5), std::dec); gukBasis.coordinates.push_back(Eigen::Vector3d(x, y, z)); ifs.getline(buffer, BUFF_SIZE); } // end of while } ifs.getline(buffer, BUFF_SIZE); } // end of read loop } // end readOptimisedCoordinates void GamessukOut::readMOs(std::ifstream& ifs) { /* Read the Molecular Orbitals as printed out by util1.m subroutine prev */ int orbitalsRead, orbitalsRead1; // Nuke any old set - fix when look at alpha & beta gukBasis.moVectors.clear(); // Skip 3 lines to be just before first header ifs.getline(buffer, BUFF_SIZE) && ifs.getline(buffer, BUFF_SIZE) && ifs.getline(buffer, BUFF_SIZE); orbitalsRead1 = readMOVectors(ifs); orbitalsRead = orbitalsRead1; while (orbitalsRead == orbitalsRead1 || orbitalsRead != 0) orbitalsRead = readMOVectors(ifs); } // end readMos int GamessukOut::readMOVectors(std::ifstream& ifs) { /* Loop through a series of columns of printed MO vectors & return the number of orbitals read in */ unsigned int norbitals, norbitalsRead; double energy; ifs.getline(buffer, BUFF_SIZE); // std::cout << "HeaderLine " << buffer << std::endl; // Check we're not at the end if (strstr(buffer, "end of") != 0) return 0; tokenize(tokens, buffer, " \t\n"); // How many orbital columns: norbitals = static_cast(tokens.size()); for (unsigned int i = 0; i < tokens.size(); i++) { from_string(energy, tokens.at(i), std::dec); // std::cout << "adding e " << energy << std::endl; gukBasis.moEnergies.push_back(energy); } // Add the lists to hold this set of coefficients // How many were read in previously: norbitalsRead = static_cast(gukBasis.moVectors.size()); // Create the arrays to hold the coefficients for each orbital for (unsigned int i = 0; i < norbitals; i++) gukBasis.moVectors.push_back(std::vector()); // skip 5 lines to just before where first set of orbitals are printed ifs.getline(buffer, BUFF_SIZE) && ifs.getline(buffer, BUFF_SIZE) && ifs.getline(buffer, BUFF_SIZE) && ifs.getline(buffer, BUFF_SIZE) && ifs.getline(buffer, BUFF_SIZE); // loop nBasisFunctions times to read in up to norbitals coefficients for (int i = 0; i < gukBasis.nBasisFunctions; i++) { ifs.getline(buffer, BUFF_SIZE); // std::cout << "MO line " << buffer << std::endl; tokenize(tokens, buffer, " \t\n"); for (unsigned int j = 0; j < norbitals; j++) { // reuse variable energy to hold coefficient from_string(energy, tokens.at(j + 4), std::dec); gukBasis.moVectors.at(norbitalsRead + j).push_back(energy); // std::cout << "Adding " << energy << " to vector " << norbitalsRead+j << // std::endl; } } // skip 2 lines to where the next set of headers are printed ifs.getline(buffer, BUFF_SIZE); ifs.getline(buffer, BUFF_SIZE); // If we are printed out after an optimisation under the control of "iprint // vectors", // the next line with be filled with " =================" if we've finished if (strstr(buffer, " ===============================") != 0) return 0; return norbitals; } // end readMOVectors void GamessukOut::addBasisForLabel(unsigned int atomIndex, std::string label, GaussianSet* basis) { /* Add the basis functions for the atom label */ unsigned int s; int prev; for (unsigned int i = 0; i < gukBasis.shellLabels.size(); i++) { if (gukBasis.shellLabels.at(i) != label) continue; for (unsigned int j = 0; j < gukBasis.shells.at(i).size(); j++) { s = basis->addBasis(atomIndex, gukBasis.shells.at(i).at(j)); // The first indexes are different as they are the indexes held at the end // of the last shell or // 0 for the first one if (i == 0 && j == 0) prev = 0; else if (j == 0) prev = gukBasis.gtoIndicies.at(i - 1).back(); else prev = gukBasis.gtoIndicies.at(i).at(j - 1); for (unsigned int k = prev; k < gukBasis.gtoIndicies.at(i).at(j); k++) { basis->addGTO(s, gukBasis.gtoCoefficients.at(k), gukBasis.gtoExponents.at(k)); } } } return; } // end addBasisForLabel void GamessukOut::load(GaussianSet* basis) { /* We will only have read in a basis set for atoms of each type Loop through the list of all the atoms & add the basis functions for each individual atom */ basis->setNumElectrons(gukBasis.nElectrons); // Add the basis for each atom for (unsigned int i = 0; i < gukBasis.atomLabels.size(); i++) { basis->addAtom(gukBasis.coordinates.at(i)); addBasisForLabel(i, gukBasis.atomLabels.at(i), basis); } // Now to load in the MO coefficients // This currently a dirty hack - basisset addMO just expects a long vector of // doubles, which // it then converts into a square matrix. // For this test, we convert our vector of vectors to a single vector and fill // the remaining // virtual orbitals with zeros. std::vector MOs; unsigned int moEnd, nBasis = static_cast(gukBasis.nBasisFunctions); for (unsigned int i = 0; i < nBasis; i++) { if (i >= gukBasis.moVectors.size()) { // std::cout << "Adding blank vectors for non-printed MOs " << i << // std::endl; moEnd = static_cast(MOs.size()) + nBasis; for (unsigned int j = static_cast(MOs.size()); j < moEnd; j++) MOs.push_back(0.0); } else { // std::cout << "Adding actual vector " << i << std::endl; MOs.insert(MOs.end(), gukBasis.moVectors.at(i).begin(), gukBasis.moVectors.at(i).end()); } } // Need to multiply by -1 to bring into accordance with Gaussian. // for( unsigned int i=0; i addMOs(MOs); // basis->initCalculation(); } // end load } // namespace QuantumIO } // namespace Avogadro avogadrolibs-1.100.0/avogadro/quantumio/gamessukout.h000066400000000000000000000067761474375334400227270ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QUANTUMIO_GAMESSUKOUT_H #define AVOGADRO_QUANTUMIO_GAMESSUKOUT_H #include #include #include #include #define BUFF_SIZE 32768 class QString; namespace Avogadro { namespace QuantumIO { using Quantum::GaussianSet; using Quantum::orbital; /** * This class is used to hold the data parsed from the GAMESS-UK output * before we create the Avogadro basis set object */ class GUKBasisSet { public: GUKBasisSet() {} ~GUKBasisSet() {} void outputCoord(); void outputBasis(); /** * Return true if we have already processed an atom of this label type */ bool labelIndex(std::string label); /** * Return the enum from basis.h for the supplied label as a string * basisset.h: enum orbital { S, SP, P, D, D5, F, F7, UU }; */ orbital shellTypeFromString(std::string label); std::vector atomLabels; // ordered list of atom labels mapping to coordinates std::vector coordinates; // Coordinates in Bohr std::vector shellLabels; // list of atom labels for the basis functions std::vector> shells; // vector of shell types for each // atom (use basisset.h orbital enum // here) std::vector> gtoIndicies; // Vector of vector of // index of where the GTO // for a particular shell // ends std::vector gtoExponents; // list of exponents std::vector gtoCoefficients; // list of contraction coefficients // Need to look at what to do about uhf calculations std::vector moEnergies; // list of the energies of the MOs std::vector> moVectors; // list of list of MO vectors in order of moEnergies // These are read in after the basis is printed and used by readMOVectors - // could use to check the basis has been parsed correctly too int nShell; int nBasisFunctions; int nElectrons; }; class GamessukOut { public: GamessukOut(const QString& filename, GaussianSet* basis); ~GamessukOut(); void GamessukOutNoQt(const std::string& filename, GaussianSet* basis); void outputParsedData(); private: bool parseFile(std::ifstream& ifs); void readInitialCoordinates(std::ifstream& ifs); void readBasisSet(std::ifstream& ifs); inline void addSpBasis(std::vector s_coeff, std::vector p_coeff, std::vector sp_exponents); void readOptimisedCoordinates(std::ifstream& ifs); void readMOs(std::ifstream& ifs); int readMOVectors(std::ifstream& ifs); void load(GaussianSet* basis); void addBasisForLabel(unsigned int atomIndex, std::string label, GaussianSet* basis); // This holds the basis data parsed in from the file and which is used to // create the BasisSet GUKBasisSet gukBasis; // For parsing the file char buffer[BUFF_SIZE]; std::string line; std::vector tokens; }; } // End namespace } #endif avogadrolibs-1.100.0/avogadro/quantumio/gamessus.cpp000066400000000000000000000336541474375334400225350ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "gamessus.h" #include #include #include using std::cout; using std::endl; using std::string; using std::vector; namespace Avogadro::QuantumIO { using Core::Atom; using Core::BasisSet; using Core::GaussianSet; using Core::Rhf; using Core::Rohf; using Core::Uhf; GAMESSUSOutput::GAMESSUSOutput() : m_coordFactor(1.0), m_scftype(Rhf) {} GAMESSUSOutput::~GAMESSUSOutput() {} std::vector GAMESSUSOutput::fileExtensions() const { std::vector extensions; extensions.emplace_back("gamout"); extensions.emplace_back("gamess"); return extensions; } std::vector GAMESSUSOutput::mimeTypes() const { return std::vector(); } bool GAMESSUSOutput::read(std::istream& in, Core::Molecule& molecule) { // Read the log file line by line, most sections are terminated by an empty // line, so they should be retained. string buffer; while (getline(in, buffer)) { if (Core::contains(buffer, "COORDINATES (BOHR)")) { readAtomBlock(in, molecule, false); } else if (Core::contains(buffer, "COORDINATES OF ALL ATOMS ARE (ANGS)")) { readAtomBlock(in, molecule, true); } else if (Core::contains(buffer, "ATOMIC BASIS SET")) { readBasisSet(in); } else if (Core::contains(buffer, "CHARGE OF MOLECULE")) { vector parts = Core::split(buffer, '='); if (parts.size() == 2) molecule.setData("totalCharge", Core::lexicalCast(parts[1])); } else if (Core::contains(buffer, "SPIN MULTIPLICITY")) { vector parts = Core::split(buffer, '='); if (parts.size() == 2) molecule.setData("totalSpinMultiplicity", Core::lexicalCast(parts[1])); } else if (Core::contains(buffer, "NUMBER OF ELECTRONS")) { vector parts = Core::split(buffer, '='); if (parts.size() == 2) m_electrons = Core::lexicalCast(parts[1]); else cout << "error" << buffer << endl; } /*else if (Core::contains(buffer, "NUMBER OF OCCUPIED ORBITALS (ALPHA)")) { cout << "Found alpha orbitals\n"; } else if (Core::contains(buffer, "NUMBER OF OCCUPIED ORBITALS (BETA )")) { cout << "Found alpha orbitals\n"; } else if (Core::contains(buffer, "SCFTYP=")) { cout << "Found SCF type\n"; }*/ else if (Core::contains(buffer, "EIGENVECTORS")) { readEigenvectors(in); } } // f functions and beyond need to be reordered reorderMOs(); molecule.perceiveBondsSimple(); molecule.perceiveBondOrders(); auto* basis = new GaussianSet; load(basis); molecule.setBasisSet(basis); basis->setMolecule(&molecule); // outputAll(); return true; } void GAMESSUSOutput::readAtomBlock(std::istream& in, Core::Molecule& molecule, bool angs) { // We read the atom block in until it terminates with a blank line. double coordFactor = angs ? 1.0 : BOHR_TO_ANGSTROM_D; string buffer; bool atomsExist = molecule.atomCount() > 0; Index index = 0; //@TODO - store all the coordinates while (getline(in, buffer)) { if (Core::contains(buffer, "CHARGE") || Core::contains(buffer, "------")) continue; else if (buffer.length() == 0 || buffer == "\n") // Our work here is done. return; vector parts = Core::split(buffer, ' '); if (parts.size() != 5) { appendError("Poorly formed atom line: " + buffer); return; } bool ok(false); Vector3 pos; auto atomicNumber( static_cast(Core::lexicalCast(parts[1], ok))); if (!ok) appendError("Failed to cast to int for atomic number: " + parts[1]); pos.x() = Core::lexicalCast(parts[2], ok) * coordFactor; if (!ok) appendError("Failed to cast to double for position: " + parts[2]); pos.y() = Core::lexicalCast(parts[3], ok) * coordFactor; if (!ok) appendError("Failed to cast to double for position: " + parts[3]); pos.z() = Core::lexicalCast(parts[4], ok) * coordFactor; if (!ok) appendError("Failed to cast to double for position: " + parts[4]); Atom atom; if (!atomsExist) { atom = molecule.addAtom(atomicNumber, pos); } else { atom = molecule.atom(index); atom.setPosition3d(pos); index++; } } } void GAMESSUSOutput::readBasisSet(std::istream& in) { // Basic strategy is to use the number of parts in a line to determine the // type, where atom has 1 part, and a GTO has 5 (or 6 for SP/L). Termination // of the block when we hit the summary information at the end. string buffer; int currentAtom(0); bool header(true); while (getline(in, buffer)) { if (header) { // Skip the header lines until we hit the last header line. if (Core::contains(buffer, "SHELL")) header = false; continue; } vector parts = Core::split(buffer, ' '); if (Core::contains(buffer, "TOTAL NUMBER OF BASIS SET SHELLS")) { // End of the basis set block. return; } else if (parts.size() == 1) { // Currently just incrememt the current atom, we should probably at least // verify the element matches in the future too. ++currentAtom; } else if (parts.size() == 5 || parts.size() == 6) { if (parts[1].size() != 1) { appendError("Error parsing basis set line, unrecognized type" + parts[1]); continue; } // Determine the shell type. GaussianSet::orbital shellType(GaussianSet::UU); switch (parts[1][0]) { case 'S': shellType = GaussianSet::S; break; case 'L': shellType = GaussianSet::SP; break; case 'P': shellType = GaussianSet::P; break; case 'D': shellType = GaussianSet::D; break; case 'F': shellType = GaussianSet::F; break; default: shellType = GaussianSet::UU; appendError("Unrecognized shell type: " + parts[1]); } // Read in the rest of the shell, terminate when the number of tokens // is not 5 or 6 in a line. int numGTOs(0); while (parts.size() == 5 || parts.size() == 6) { ++numGTOs; m_a.push_back(Core::lexicalCast(parts[3])); m_c.push_back(Core::lexicalCast(parts[4])); if (shellType == GaussianSet::SP && parts.size() == 6) m_csp.push_back(Core::lexicalCast(parts[5])); if (!getline(in, buffer)) break; parts = Core::split(buffer, ' '); } // Now add this to our data structure. m_shellNums.push_back(numGTOs); m_shellTypes.push_back(shellType); m_shelltoAtom.push_back(currentAtom); } } } void GAMESSUSOutput::readEigenvectors(std::istream& in) { string buffer; getline(in, buffer); getline(in, buffer); getline(in, buffer); vector parts = Core::split(buffer, ' '); vector> eigenvectors; bool ok(false); size_t numberOfMos(0); bool newBlock(true); while (!Core::contains(buffer, "END OF") || Core::contains(buffer, "--------")) { // Any line with actual information in it will contain >= 5 parts. if (parts.size() > 5 && buffer.substr(0, 16) != " ") { if (newBlock) { // Reorder the columns/rows, add them and then prepare for (auto& eigenvector : eigenvectors) for (double j : eigenvector) m_MOcoeffs.push_back(j); eigenvectors.clear(); eigenvectors.resize(parts.size() - 4); numberOfMos += eigenvectors.size(); newBlock = false; } for (size_t i = 0; i < parts.size() - 4; ++i) { eigenvectors[i].push_back(Core::lexicalCast(parts[i + 4], ok)); if (!ok) appendError("Failed to cast to double for eigenvector: " + parts[i]); } } else { // Note that we are either ending or entering a new block of orbitals. newBlock = true; } if (!getline(in, buffer)) break; parts = Core::split(buffer, ' '); } m_nMOs = numberOfMos; for (auto& eigenvector : eigenvectors) for (double j : eigenvector) m_MOcoeffs.push_back(j); // Now we just need to transpose the matrix, as GAMESS uses a different order. // We know the number of columns (MOs), and the number of rows (primitives). if (eigenvectors.size() != numberOfMos * m_a.size()) { appendError("Incorrect number of eigenvectors loaded."); return; } } void GAMESSUSOutput::load(GaussianSet* basis) { // Now load up our basis set basis->setElectronCount(m_electrons); // Set up the GTO primitive counter, go through the shells and add them int nGTO = 0; int nSP = 0; // number of SP shells for (unsigned int i = 0; i < m_shellTypes.size(); ++i) { // Handle the SP case separately - this should possibly be a distinct type if (m_shellTypes.at(i) == GaussianSet::SP) { // SP orbital type - currently have to unroll into two shells int tmpGTO = nGTO; int s = basis->addBasis(m_shelltoAtom.at(i) - 1, GaussianSet::S); for (int j = 0; j < m_shellNums.at(i); ++j) { basis->addGto(s, m_c.at(nGTO), m_a.at(nGTO)); ++nGTO; } int p = basis->addBasis(m_shelltoAtom.at(i) - 1, GaussianSet::P); for (int j = 0; j < m_shellNums.at(i); ++j) { basis->addGto(p, m_csp.at(nSP), m_a.at(tmpGTO)); ++tmpGTO; ++nSP; } } else { int b = basis->addBasis(m_shelltoAtom.at(i) - 1, m_shellTypes.at(i)); for (int j = 0; j < m_shellNums.at(i); ++j) { basis->addGto(b, m_c.at(nGTO), m_a.at(nGTO)); ++nGTO; } } } // qDebug() << " loading MOs " << m_MOcoeffs.size(); // Now to load in the MO coefficients if (m_MOcoeffs.size()) basis->setMolecularOrbitals(m_MOcoeffs); if (m_alphaMOcoeffs.size()) basis->setMolecularOrbitals(m_alphaMOcoeffs, BasisSet::Alpha); if (m_betaMOcoeffs.size()) basis->setMolecularOrbitals(m_betaMOcoeffs, BasisSet::Beta); // generateDensity(); // if (m_density.rows()) // basis->setDensityMatrix(m_density); basis->setScfType(m_scftype); } void GAMESSUSOutput::reorderMOs() { unsigned int GTOcounter = 0; for (int iMO = 0; iMO < m_nMOs; iMO++) { // loop over the basis set shells for (auto& m_shellType : m_shellTypes) { // The angular momentum of the shell // determines the number of primitive GTOs. // GAMESS always prints the full cartesian set. double yyy, zzz, xxy, xxz, yyx, yyz, zzx, zzy, xyz; unsigned int nPrimGTOs = 0; switch (m_shellType) { case GaussianSet::S: nPrimGTOs = 1; GTOcounter += nPrimGTOs; break; case GaussianSet::P: nPrimGTOs = 3; GTOcounter += nPrimGTOs; break; // L? case GaussianSet::D: nPrimGTOs = 6; GTOcounter += nPrimGTOs; break; case GaussianSet::F: nPrimGTOs = 10; // f functions are the first set to be reordered. // double xxx = m_MOcoeffs.at(GTOcounter); yyy = m_MOcoeffs.at(GTOcounter + 1); zzz = m_MOcoeffs.at(GTOcounter + 2); xxy = m_MOcoeffs.at(GTOcounter + 3); xxz = m_MOcoeffs.at(GTOcounter + 4); yyx = m_MOcoeffs.at(GTOcounter + 5); yyz = m_MOcoeffs.at(GTOcounter + 6); zzx = m_MOcoeffs.at(GTOcounter + 7); zzy = m_MOcoeffs.at(GTOcounter + 8); xyz = m_MOcoeffs.at(GTOcounter + 9); // xxx is unchanged m_MOcoeffs.at(GTOcounter + 1) = xxy; // xxy m_MOcoeffs.at(GTOcounter + 2) = xxz; // xxz m_MOcoeffs.at(GTOcounter + 3) = yyx; // xyy m_MOcoeffs.at(GTOcounter + 4) = xyz; // xyz m_MOcoeffs.at(GTOcounter + 5) = zzx; // xzz m_MOcoeffs.at(GTOcounter + 6) = yyy; // yyy m_MOcoeffs.at(GTOcounter + 7) = yyz; // yyz m_MOcoeffs.at(GTOcounter + 8) = zzy; // yzz m_MOcoeffs.at(GTOcounter + 9) = zzz; // zzz GTOcounter += nPrimGTOs; break; case GaussianSet::G: nPrimGTOs = 15; GTOcounter += nPrimGTOs; break; case GaussianSet::H: nPrimGTOs = 21; GTOcounter += nPrimGTOs; break; case GaussianSet::I: nPrimGTOs = 28; GTOcounter += nPrimGTOs; break; default: cout << "Basis set not handled - results may be incorrect.\n"; } } } } void GAMESSUSOutput::outputAll() { switch (m_scftype) { case Rhf: cout << "SCF type = RHF" << endl; break; case Uhf: cout << "SCF type = UHF" << endl; break; case Rohf: cout << "SCF type = ROHF" << endl; break; default: cout << "SCF typ = Unknown" << endl; } cout << "Shell mappings\n"; for (unsigned int i = 0; i < m_shellTypes.size(); ++i) { cout << i << ": type = " << m_shellTypes.at(i) << ", number = " << m_shellNums.at(i) << ", atom = " << m_shelltoAtom.at(i) << endl; } int nGTOs = 0; if (m_MOcoeffs.size()) { nGTOs = m_MOcoeffs.size() / m_nMOs; cout << m_nMOs << " MOs, " << nGTOs << " GTOs" << endl; } for (unsigned int iMO = 0; iMO < 10; iMO++) { for (unsigned int i = iMO * nGTOs; i < nGTOs * iMO + 10; ++i) // m_MOcoeffs.size(); ++i) cout << m_MOcoeffs.at(i) << "\t"; cout << "\n"; } if (m_alphaMOcoeffs.size()) cout << "Alpha MO coefficients.\n"; for (double m_alphaMOcoeff : m_alphaMOcoeffs) cout << m_alphaMOcoeff; if (m_betaMOcoeffs.size()) cout << "Beta MO coefficients.\n"; for (double m_betaMOcoeff : m_betaMOcoeffs) cout << m_betaMOcoeff; cout << std::flush; } } // namespace Avogadro::QuantumIO avogadrolibs-1.100.0/avogadro/quantumio/gamessus.h000066400000000000000000000055461474375334400222010ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QUANTUMIO_GAMESSUS_H #define AVOGADRO_QUANTUMIO_GAMESSUS_H #include "avogadroquantumioexport.h" #include #include #include namespace Avogadro { namespace QuantumIO { class AVOGADROQUANTUMIO_EXPORT GAMESSUSOutput : public Io::FileFormat { public: GAMESSUSOutput(); ~GAMESSUSOutput() override; Operations supportedOperations() const override { return Read | File | Stream | String; } FileFormat* newInstance() const override { return new GAMESSUSOutput; } std::string identifier() const override { return "Avogadro: GAMESS"; } std::string name() const override { return "GAMESS"; } std::string description() const override { return "GAMESS US log file output parser."; } std::string specificationUrl() const override { return ""; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& in, Core::Molecule& molecule) override; bool write(std::ostream&, const Core::Molecule&) override { // Empty, as we do not write out GAMESS log files. return false; } private: /** * @brief Read the atom block of the log file. * @param in Our input stream. * @param molecule The molecule to add the atoms to. * @param angs Whether the units are Angstroms (true) or Bohr (false). */ void readAtomBlock(std::istream& in, Core::Molecule& molecule, bool angs); /** * Read in the basis set block. */ void readBasisSet(std::istream& in); /** * Read in the molecular orbitals. */ void readEigenvectors(std::istream& in); /** * Reorder the molecular orbitals. */ void reorderMOs(); /** * Outpull all known properties that have been read, useful for debugging. */ void outputAll(); /** * Load the basis with the properties read in from the file. */ void load(Core::GaussianSet* basis); double m_coordFactor; int m_electrons; int m_electronsA; int m_electronsB; int m_nMOs; Core::ScfType m_scftype; unsigned int m_numBasisFunctions; std::vector m_shellTypes; std::vector m_shellNums; std::vector m_shelltoAtom; std::vector m_a; std::vector m_c; std::vector m_csp; std::vector m_orbitalEnergy; std::vector m_alphaOrbitalEnergy; std::vector m_betaOrbitalEnergy; std::vector m_MOcoeffs; std::vector m_alphaMOcoeffs; std::vector m_betaMOcoeffs; MatrixX m_density; /// Total density matrix }; } } #endif avogadrolibs-1.100.0/avogadro/quantumio/gaussiancube.cpp000066400000000000000000000136561474375334400233570ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "gaussiancube.h" #include #include #include #include #include namespace Avogadro::QuantumIO { GaussianCube::GaussianCube() {} GaussianCube::~GaussianCube() {} std::vector GaussianCube::fileExtensions() const { std::vector extensions; extensions.emplace_back("cube"); return extensions; } std::vector GaussianCube::mimeTypes() const { return std::vector(); } bool GaussianCube::read(std::istream& in, Core::Molecule& molecule) { // Variables we will need std::string line; std::vector list; int nAtoms; Vector3 min; Vector3 spacing; Vector3i dim; // Gaussian Cube format is very specific // Read and set name getline(in, line); molecule.setData("name", line); // Read and skip field title (we may be able to use this to setCubeType in the // future) getline(in, line); // Next line contains nAtoms and m_min in >> nAtoms; for (unsigned int i = 0; i < 3; ++i) in >> min(i); getline(in, line); // capture newline before continuing // Next 3 lines contains spacing and dim for (unsigned int i = 0; i < 3; ++i) { getline(in, line); line = Core::trimmed(line); list = Core::split(line, ' '); dim(i) = Core::lexicalCast(list[0]); spacing(i) = Core::lexicalCast(list[i + 1]); } // Geometry block Vector3 pos; for (int i = 0; i < abs(nAtoms); ++i) { getline(in, line); line = Core::trimmed(line); list = Core::split(line, ' '); auto atomNum = Core::lexicalCast(list[0]); Core::Atom a = molecule.addAtom(static_cast(atomNum)); for (unsigned int j = 2; j < 5; ++j) pos(j - 2) = Core::lexicalCast(list[j]); pos = pos * BOHR_TO_ANGSTROM; a.setPosition3d(pos); } // If the nAtoms were negative there is another line before // the data which is necessary, maybe contain 1 or more cubes unsigned int nCubes = 1; if (nAtoms < 0) { in >> nCubes; std::vector moList(nCubes); for (unsigned int i = 0; i < nCubes; ++i) in >> moList[i]; // clear buffer getline(in, line); } // Render molecule molecule.perceiveBondsSimple(); molecule.perceiveBondOrders(); // Cube block, set limits and populate data // min and spacing are in bohr units, convert to ANGSTROM min *= BOHR_TO_ANGSTROM; spacing *= BOHR_TO_ANGSTROM; for (unsigned int i = 0; i < nCubes; ++i) { // Get a cube object from molecule Core::Cube* cube = molecule.addCube(); cube->setLimits(min, dim, spacing); std::vector values; // push_back is slow for this, resize vector first values.resize(dim(0) * dim(1) * dim(2)); for (float & value : values) in >> value; // clear buffer, if more than one cube getline(in, line); cube->setData(values); } return true; } void writeFixedFloat(std::ostream& outStream, Real number) { outStream << std::setw(12) << std::fixed << std::right << std::setprecision(6) << number; } void writeFixedInt(std::ostream& outStream, unsigned int number) { outStream << std::setw(5) << std::fixed << std::right << number; } bool GaussianCube::write(std::ostream& outStream, const Core::Molecule& mol) { if (mol.cubeCount() == 0) return false; // no cubes to write const Core::Cube* cube = mol.cube(0); // eventually need to write all the cubes Vector3 min = cube->min() * ANGSTROM_TO_BOHR; Vector3 spacing = cube->spacing() * ANGSTROM_TO_BOHR; Vector3i dim = cube->dimensions(); // number of points in each direction // might be useful to use the 2nd line, but it's just a comment // e.g. write out the cube type outStream << "Gaussian Cube file generated by Avogadro.\n"; if (mol.data("name").toString().length()) outStream << mol.data("name").toString() << "\n"; else outStream << "\n"; // Write out the number of atoms and the minimum coordinates size_t numAtoms = mol.atomCount(); writeFixedInt(outStream, numAtoms); writeFixedFloat(outStream,min[0]); writeFixedFloat(outStream,min[1]); writeFixedFloat(outStream,min[2]); writeFixedInt(outStream,1); // one value per point (i.e., not vector) outStream << "\n"; // now write the size and spacing of the cube writeFixedInt(outStream,dim[0]); writeFixedFloat(outStream,spacing[0]); writeFixedFloat(outStream,0.0); writeFixedFloat(outStream,0.0); outStream << "\n"; writeFixedInt(outStream,dim[1]); writeFixedFloat(outStream,0.0); writeFixedFloat(outStream,spacing[1]); writeFixedFloat(outStream,0.0); outStream << "\n"; writeFixedInt(outStream,dim[2]); writeFixedFloat(outStream,0.0); writeFixedFloat(outStream,0.0); writeFixedFloat(outStream,spacing[2]); outStream << "\n"; for (size_t i = 0; i < numAtoms; ++i) { Core::Atom atom = mol.atom(i); if (!atom.isValid()) { appendError("Internal error: Atom invalid."); return false; } writeFixedInt(outStream,static_cast(atom.atomicNumber())); writeFixedFloat(outStream,0.0); // charge writeFixedFloat(outStream,atom.position3d()[0] * ANGSTROM_TO_BOHR); writeFixedFloat(outStream,atom.position3d()[1] * ANGSTROM_TO_BOHR); writeFixedFloat(outStream,atom.position3d()[2] * ANGSTROM_TO_BOHR); outStream << "\n"; } // write the raw cube values const std::vector* values = cube->data(); for (unsigned int i = 0; i < values->size(); ++i) { outStream << std::setw(13) << std::right << std::scientific << std::setprecision(5) << (*values)[i]; if (i % 6 == 5) outStream << "\n"; } return true; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/quantumio/gaussiancube.h000066400000000000000000000027611474375334400230170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QUANTUMIO_GAUSSIANCUBE_H #define AVOGADRO_QUANTUMIO_GAUSSIANCUBE_H #include "avogadroquantumioexport.h" #include #include namespace Avogadro { namespace QuantumIO { class AVOGADROQUANTUMIO_EXPORT GaussianCube : public Io::FileFormat { public: GaussianCube(); ~GaussianCube() override; Operations supportedOperations() const override { return Read | File | Stream | String; } FileFormat* newInstance() const override { return new GaussianCube; } std::string identifier() const override { return "Avogadro: Gaussian Cube"; } std::string name() const override { return "Gaussian"; } std::string description() const override { return "Gaussian cube file format."; } std::string specificationUrl() const override { return "https://gaussian.com/cubegen/"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& in, Core::Molecule& molecule) override; bool write(std::ostream& out, const Core::Molecule& molecule) override; private: void outputAll(); }; // End GaussianCube } // End QuantumIO namespace } // End Avogadro namespace #endif avogadrolibs-1.100.0/avogadro/quantumio/gaussianfchk.cpp000066400000000000000000000523571474375334400233550ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "gaussianfchk.h" #include #include #include #include using std::cout; using std::endl; using std::string; using std::vector; namespace Avogadro::QuantumIO { using Core::Atom; using Core::BasisSet; using Core::GaussianSet; using Core::Rhf; using Core::Rohf; using Core::Uhf; GaussianFchk::GaussianFchk() : m_scftype(Rhf) {} GaussianFchk::~GaussianFchk() {} std::vector GaussianFchk::fileExtensions() const { std::vector extensions; extensions.emplace_back("fchk"); return extensions; } std::vector GaussianFchk::mimeTypes() const { return std::vector(); } bool GaussianFchk::read(std::istream& in, Core::Molecule& molecule) { // Read the log file line by line, most sections are terminated by an empty // line, so they should be retained. while (!in.eof()) processLine(in); auto* basis = new GaussianSet; int nAtom = 0; for (unsigned int i = 0; i < m_aPos.size(); i += 3) { Atom a = molecule.addAtom(static_cast(m_aNums[nAtom++])); a.setPosition3d(Vector3(m_aPos[i] * BOHR_TO_ANGSTROM, m_aPos[i + 1] * BOHR_TO_ANGSTROM, m_aPos[i + 2] * BOHR_TO_ANGSTROM)); } if (m_frequencies.size() > 0 && m_frequencies.size() == m_vibDisplacements.size() && m_frequencies.size() == m_IRintensities.size()) { molecule.setVibrationFrequencies(m_frequencies); molecule.setVibrationIRIntensities(m_IRintensities); molecule.setVibrationLx(m_vibDisplacements); if (m_RamanIntensities.size()) molecule.setVibrationRamanIntensities(m_RamanIntensities); } // set the total charge molecule.setData("totalCharge", m_charge); // set the spin multiplicity molecule.setData("totalSpinMultiplicity", m_spin); // dipole moment // TODO: This should be a Vector3d Core::Variant dipole(m_dipoleMoment.x(), m_dipoleMoment.y(), m_dipoleMoment.z()); molecule.setData("dipoleMoment", dipole); // Do simple bond perception. molecule.perceiveBondsSimple(); molecule.perceiveBondOrders(); molecule.setBasisSet(basis); basis->setMolecule(&molecule); load(basis); return true; } void GaussianFchk::processLine(std::istream& in) { // First truncate the line, remove trailing white space and check any line of // the required length. We are looking for keyword lines of the form, // Charge I 0 // If we are in any other kind of block that is not known skip through until // we find a recognized block. string line; if (!getline(in, line) || line.size() < 44) return; string key = line.substr(0, 42); // cout << "Key:\t" << key << endl; key = Core::trimmed(key); string tmp = line.substr(43); vector list = Core::split(tmp, ' '); std::vector tmpVec; // Big switch statement checking for various things we are interested in if (Core::contains(key, "RHF")) { m_scftype = Rhf; } else if (Core::contains(key, "UHF")) { m_scftype = Uhf; } else if (key == "Number of atoms" && list.size() > 1) { m_numAtoms = Core::lexicalCast(list[1]); } else if (key == "Charge" && list.size() > 1) { m_charge = Core::lexicalCast(list[1]); } else if (key == "Multiplicity" && list.size() > 1) { m_spin = Core::lexicalCast(list[1]); } else if (key == "Dipole Moment" && list.size() > 2) { vector dipole = readArrayD(in, Core::lexicalCast(list[2])); m_dipoleMoment = Vector3(dipole[0], dipole[1], dipole[2]); // convert from au m_dipoleMoment *= 2.541746; } else if (key == "Number of electrons" && list.size() > 1) { m_electrons = Core::lexicalCast(list[1]); } else if (key == "Number of alpha electrons" && list.size() > 1) { m_electronsAlpha = Core::lexicalCast(list[1]); } else if (key == "Number of beta electrons" && list.size() > 1) { m_electronsBeta = Core::lexicalCast(list[1]); } else if (key == "Number of basis functions" && list.size() > 1) { m_numBasisFunctions = Core::lexicalCast(list[1]); // cout << "Number of basis functions = " << m_numBasisFunctions << endl; } else if (key == "Atomic numbers" && list.size() > 2) { m_aNums = readArrayI(in, Core::lexicalCast(list[2])); if (static_cast(m_aNums.size()) != Core::lexicalCast(list[2])) cout << "Reading atomic numbers failed.\n"; } // Now we get to the meat of it - coordinates of the atoms else if (key == "Current cartesian coordinates" && list.size() > 2) { m_aPos = readArrayD(in, Core::lexicalCast(list[2]), 16); } // The real meat is here - basis sets etc! else if (key == "Shell types" && list.size() > 2) { m_shellTypes = readArrayI(in, Core::lexicalCast(list[2])); } else if (key == "Number of primitives per shell" && list.size() > 2) { m_shellNums = readArrayI(in, Core::lexicalCast(list[2])); } else if (key == "Shell to atom map" && list.size() > 2) { m_shelltoAtom = readArrayI(in, Core::lexicalCast(list[2])); } // Now to get the exponents and coefficients( else if (key == "Primitive exponents" && list.size() > 2) { m_a = readArrayD(in, Core::lexicalCast(list[2]), 16); } else if (key == "Contraction coefficients" && list.size() > 2) { m_c = readArrayD(in, Core::lexicalCast(list[2]), 16); } else if (key == "P(S=P) Contraction coefficients" && list.size() > 2) { m_csp = readArrayD(in, Core::lexicalCast(list[2]), 16); } else if (key == "Alpha Orbital Energies") { if (m_scftype == Rhf) { m_orbitalEnergy = readArrayD(in, Core::lexicalCast(list[2]), 16); // cout << "MO energies, n = " << m_orbitalEnergy.size() << endl; } else if (m_scftype == Uhf) { m_alphaOrbitalEnergy = readArrayD(in, Core::lexicalCast(list[2]), 16); // cout << "Alpha MO energies, n = " << m_alphaOrbitalEnergy.size() << // endl; } } else if (key == "Beta Orbital Energies") { if (m_scftype != Uhf) { // cout << "UHF detected. Reassigning Alpha properties." << endl; m_scftype = Uhf; m_alphaOrbitalEnergy = m_orbitalEnergy; m_orbitalEnergy = vector(); m_alphaMOcoeffs = m_MOcoeffs; m_MOcoeffs = vector(); } m_betaOrbitalEnergy = readArrayD(in, Core::lexicalCast(list[2]), 16); // cout << "Beta MO energies, n = " << m_betaOrbitalEnergy.size() << endl; } else if (key == "Alpha MO coefficients" && list.size() > 2) { if (m_scftype == Rhf) { m_MOcoeffs = readArrayD(in, Core::lexicalCast(list[2]), 16); } else if (m_scftype == Uhf) { m_alphaMOcoeffs = readArrayD(in, Core::lexicalCast(list[2]), 16); } else { cout << "Error, alpha MO coefficients, n = " << m_MOcoeffs.size() << endl; } } else if (key == "Beta MO coefficients" && list.size() > 2) { m_betaMOcoeffs = readArrayD(in, Core::lexicalCast(list[2]), 16); } else if (key == "Total SCF Density" && list.size() > 2) { if (!readDensityMatrix(in, Core::lexicalCast(list[2]), 16)) cout << "Error reading in the SCF density matrix.\n"; } else if (key == "Spin SCF Density" && list.size() > 2) { if (!readSpinDensityMatrix(in, Core::lexicalCast(list[2]), 16)) cout << "Error reading in the SCF spin density matrix.\n"; } else if (key == "Number of Normal Modes" && list.size() > 1) { m_normalModes = Core::lexicalCast(list[1]); } else if (key == "Vib-E2" && list.size() > 2) { m_frequencies.clear(); m_IRintensities.clear(); m_RamanIntensities.clear(); unsigned threeN = m_numAtoms * 3; // degrees of freedom tmpVec = readArrayD(in, Core::lexicalCast(list[2]), 16); // read in the first 3N-6 elements as frequencies for (unsigned int i = 0; i < m_normalModes; ++i) { m_frequencies.push_back(tmpVec[i]); } // skip to after threeN elements then read IR intensities for (unsigned int i = threeN; i < threeN + m_normalModes; ++i) { m_IRintensities.push_back(tmpVec[i]); } // now check if we have Raman intensities if (tmpVec[threeN + m_normalModes] != 0.0) { for (unsigned int i = threeN + m_normalModes; i < threeN + 2 * m_normalModes; ++i) { m_RamanIntensities.push_back(tmpVec[i]); } } } else if (key == "Vib-Modes" && list.size() > 2) { tmpVec = readArrayD(in, Core::lexicalCast(list[2]), 16); m_vibDisplacements.clear(); if (tmpVec.size() == m_numAtoms * 3 * m_normalModes) { for (unsigned int i = 0; i < m_normalModes; ++i) { Core::Array mode; for (unsigned int j = 0; j < m_numAtoms; ++j) { Vector3 v(tmpVec[i * m_numAtoms * 3 + j * 3], tmpVec[i * m_numAtoms * 3 + j * 3 + 1], tmpVec[i * m_numAtoms * 3 + j * 3 + 2]); mode.push_back(v); } m_vibDisplacements.push_back(mode); } } } } void GaussianFchk::load(GaussianSet* basis) { // Now load up our basis set basis->setElectronCount(m_electrons); // basis->setElectronCount(m_electronsAlpha, Core::GaussianSet::alpha); // basis->setElectronCount(m_electronsBeta, Core::GaussianSet::beta); // Set up the GTO primitive counter, go through the shells and add them int nGTO = 0; for (unsigned int i = 0; i < m_shellTypes.size(); ++i) { // Handle the SP case separately - this should possibly be a distinct type if (m_shellTypes[i] == -1) { // SP orbital type - actually have to add two shells int s = basis->addBasis(m_shelltoAtom[i] - 1, GaussianSet::S); int tmpGTO = nGTO; for (int j = 0; j < m_shellNums[i]; ++j) { basis->addGto(s, m_c[nGTO], m_a[nGTO]); ++nGTO; } int p = basis->addBasis(m_shelltoAtom[i] - 1, GaussianSet::P); for (int j = 0; j < m_shellNums[i]; ++j) { basis->addGto(p, m_csp[tmpGTO], m_a[tmpGTO]); ++tmpGTO; } } else { GaussianSet::orbital type; switch (m_shellTypes[i]) { case 0: type = GaussianSet::S; break; case 1: type = GaussianSet::P; break; case 2: type = GaussianSet::D; break; case -2: type = GaussianSet::D5; break; case 3: type = GaussianSet::F; break; case -3: type = GaussianSet::F7; break; case 4: type = GaussianSet::G; break; case -4: type = GaussianSet::G9; break; case 5: type = GaussianSet::H; break; case -5: type = GaussianSet::H11; break; case 6: type = GaussianSet::I; break; case -6: type = GaussianSet::I13; break; default: // If we encounter GTOs we do not understand, the basis is likely // invalid type = GaussianSet::UU; /// basis->setValid(false); } if (type != GaussianSet::UU) { int b = basis->addBasis(m_shelltoAtom[i] - 1, type); for (int j = 0; j < m_shellNums[i]; ++j) { basis->addGto(b, m_c[nGTO], m_a[nGTO]); ++nGTO; } } } } // Now to load in the MO coefficients if (basis->isValid()) { if (m_MOcoeffs.size()) basis->setMolecularOrbitals(m_MOcoeffs); else cout << "Error no MO coefficients...\n"; if (m_alphaMOcoeffs.size()) basis->setMolecularOrbitals(m_alphaMOcoeffs, BasisSet::Alpha); if (m_betaMOcoeffs.size()) basis->setMolecularOrbitals(m_betaMOcoeffs, BasisSet::Beta); if (m_density.rows()) basis->setDensityMatrix(m_density); if (m_spinDensity.rows()) basis->setSpinDensityMatrix(m_spinDensity); if (m_orbitalEnergy.size()) // restricted calculation basis->setMolecularOrbitalEnergy(m_orbitalEnergy); else { if (m_alphaOrbitalEnergy.size()) basis->setMolecularOrbitalEnergy(m_alphaOrbitalEnergy, BasisSet::Alpha); if (m_betaOrbitalEnergy.size()) basis->setMolecularOrbitalEnergy(m_betaOrbitalEnergy, BasisSet::Beta); } } else { cout << "Basis set is not valid!\n"; } } vector GaussianFchk::readArrayI(std::istream& in, unsigned int n) { vector tmp; tmp.reserve(n); bool ok(false); while (tmp.size() < n) { if (in.eof()) { cout << "GaussianFchk::readArrayI could not read all elements " << n << " expected " << tmp.size() << " parsed.\n"; return tmp; } string line; if (getline(in, line), line.empty()) return tmp; vector list = Core::split(line, ' '); for (auto& i : list) { if (tmp.size() >= n) { cout << "Too many variables read in. File may be inconsistent. " << tmp.size() << " of " << n << endl; return tmp; } tmp.push_back(Core::lexicalCast(i, ok)); if (!ok) { cout << "Warning: problem converting string to integer: " << i << " in GaussianFchk::readArrayI.\n"; return tmp; } } } return tmp; } vector GaussianFchk::readArrayD(std::istream& in, unsigned int n, int width) { vector tmp; tmp.reserve(n); bool ok(false); while (tmp.size() < n) { if (in.eof()) { cout << "GaussianFchk::readArrayD could not read all elements " << n << " expected " << tmp.size() << " parsed.\n"; return tmp; } string line; if (getline(in, line), line.empty()) return tmp; if (width == 0) { // we can split by spaces vector list = Core::split(line, ' '); for (auto& i : list) { if (tmp.size() >= n) { cout << "Too many variables read in. File may be inconsistent. " << tmp.size() << " of " << n << endl; return tmp; } tmp.push_back(Core::lexicalCast(i, ok)); if (!ok) { cout << "Warning: problem converting string to integer: " << i << " in GaussianFchk::readArrayD.\n"; return tmp; } } } else { // Q-Chem files use 16 character fields int maxColumns = 80 / width; for (int i = 0; i < maxColumns; ++i) { string substring = line.substr(i * width, width); if (static_cast(substring.length()) != width) break; if (tmp.size() >= n) { cout << "Too many variables read in. File may be inconsistent. " << tmp.size() << " of " << n << endl; return tmp; } tmp.push_back(Core::lexicalCast(substring, ok)); if (!ok) { cout << "Warning: problem converting string to double: " << substring << " in GaussianFchk::readArrayD.\n"; return tmp; } } } } return tmp; } bool GaussianFchk::readDensityMatrix(std::istream& in, unsigned int n, int width) { // This function reads in the lower triangular density matrix m_density.resize(m_numBasisFunctions, m_numBasisFunctions); unsigned int cnt = 0; unsigned int i = 0, j = 0; unsigned int f = 1; bool ok = false; while (cnt < n) { if (in.eof()) { cout << "GaussianFchk::readDensityMatrix could not read all elements " << n << " expected " << cnt << " parsed.\n"; return false; } string line; if (getline(in, line), line.empty()) return false; if (width == 0) { // we can split by spaces vector list = Core::split(line, ' '); for (auto& k : list) { if (cnt >= n) { cout << "Too many variables read in. File may be inconsistent. " << cnt << " of " << n << endl; return false; } // Read in lower half matrix m_density(i, j) = Core::lexicalCast(k, ok); if (ok) { // Valid double converted, carry on ++j; ++cnt; if (j == f) { // We need to move down to the next row and increment f - lower tri j = 0; ++f; ++i; } } else { // Invalid conversion of a string to double cout << "Warning: problem converting string to double: " << k << "\nIn GaussianFchk::readDensityMatrix.\n"; return false; } } } else { // Q-Chem files use 16-character fields int maxColumns = 80 / width; for (int c = 0; c < maxColumns; ++c) { string substring = line.substr(c * width, width); if (static_cast(substring.length()) != width) { break; } else if (cnt >= n) { cout << "Too many variables read in. File may be inconsistent. " << cnt << " of " << n << endl; return false; } // Read in lower half matrix m_density(i, j) = Core::lexicalCast(substring, ok); if (ok) { // Valid double converted, carry on ++j; ++cnt; if (j == f) { // We need to move down to the next row and increment f - lower tri j = 0; ++f; ++i; } } else { // Invalid conversion of a string to double cout << "Warning: problem converting string to double: " << substring << "\nIn GaussianFchk::readDensityMatrix.\n"; return false; } } } } return true; } bool GaussianFchk::readSpinDensityMatrix(std::istream& in, unsigned int n, int width) { // This function reads in the lower triangular density matrix m_spinDensity.resize(m_numBasisFunctions, m_numBasisFunctions); unsigned int cnt = 0; unsigned int i = 0, j = 0; unsigned int f = 1; bool ok = false; while (cnt < n) { if (in.eof()) { cout << "GaussianFchk::readSpinDensityMatrix could not read all elements " << n << " expected " << cnt << " parsed.\n"; return false; } string line; if (getline(in, line), line.empty()) return false; if (width == 0) { // we can split by spaces vector list = Core::split(line, ' '); for (auto& k : list) { if (cnt >= n) { cout << "Too many variables read in. File may be inconsistent. " << cnt << " of " << n << endl; return false; } // Read in lower half matrix m_spinDensity(i, j) = Core::lexicalCast(k, ok); if (ok) { // Valid double converted, carry on ++j; ++cnt; if (j == f) { // We need to move down to the next row and increment f - lower tri j = 0; ++f; ++i; } } else { // Invalid conversion of a string to double cout << "Warning: problem converting string to double: " << k << "\nIn GaussianFchk::readDensityMatrix.\n"; return false; } } } else { // Q-Chem files use 16-character fields int maxColumns = 80 / width; for (int c = 0; c < maxColumns; ++c) { string substring = line.substr(c * width, width); if (static_cast(substring.length()) != width) { break; } else if (cnt >= n) { cout << "Too many variables read in. File may be inconsistent. " << cnt << " of " << n << endl; return false; } // Read in lower half matrix m_spinDensity(i, j) = Core::lexicalCast(substring, ok); if (ok) { // Valid double converted, carry on ++j; ++cnt; if (j == f) { // We need to move down to the next row and increment f - lower tri j = 0; ++f; ++i; } } else { // Invalid conversion of a string to double cout << "Warning: problem converting string to double: " << substring << "\nIn GaussianFchk::readSpinDensityMatrix.\n"; return false; } } } } return true; } void GaussianFchk::outputAll() { switch (m_scftype) { case Rhf: cout << "SCF type = RHF\n"; break; case Uhf: cout << "SCF type = UHF\n"; break; case Rohf: cout << "SCF type = ROHF\n"; break; default: cout << "SCF type = Unknown\n"; } cout << "Shell mappings:\n"; for (unsigned int i = 0; i < m_shellTypes.size(); ++i) cout << i << " : type = " << m_shellTypes.at(i) << ", number = " << m_shellNums.at(i) << ", atom = " << m_shelltoAtom.at(i) << endl; if (m_MOcoeffs.size()) { cout << "MO coefficients:\n"; for (double m_MOcoeff : m_MOcoeffs) cout << m_MOcoeff << "\t"; cout << endl << endl; } if (m_alphaMOcoeffs.size()) { cout << "Alpha MO coefficients:\n"; for (double m_alphaMOcoeff : m_alphaMOcoeffs) cout << m_alphaMOcoeff << "\t"; cout << endl << endl; } if (m_betaMOcoeffs.size()) { cout << "Beta MO coefficients:\n"; for (double m_betaMOcoeff : m_betaMOcoeffs) cout << m_betaMOcoeff << "\t"; cout << endl << endl; } } } // namespace Avogadro::QuantumIO avogadrolibs-1.100.0/avogadro/quantumio/gaussianfchk.h000066400000000000000000000061761474375334400230200ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QUANTUMIO_GAUSSIANFCHK_H #define AVOGADRO_QUANTUMIO_GAUSSIANFCHK_H #include "avogadroquantumioexport.h" #include #include #include #include namespace Avogadro { namespace QuantumIO { class AVOGADROQUANTUMIO_EXPORT GaussianFchk : public Io::FileFormat { public: GaussianFchk(); ~GaussianFchk() override; Operations supportedOperations() const override { return Read | File | Stream | String; } FileFormat* newInstance() const override { return new GaussianFchk; } std::string identifier() const override { return "Avogadro: FCHK"; } std::string name() const override { return "Gaussian FCHK"; } std::string description() const override { return "Gaussian formatted checkpoint reader."; } std::string specificationUrl() const override { return "http://www.gaussian.com/g_tech/g_ur/f_formchk.htm"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& in, Core::Molecule& molecule) override; bool write(std::ostream&, const Core::Molecule&) override { // Empty, as we do not write out Gaussian FCHK files. return false; } void outputAll(); private: void processLine(std::istream& in); void load(Core::GaussianSet* basis); std::vector readArrayI(std::istream& in, unsigned int n); std::vector readArrayD(std::istream& in, unsigned int n, int width = 0); bool readDensityMatrix(std::istream& in, unsigned int n, int width = 0); bool readSpinDensityMatrix(std::istream& in, unsigned int n, int width = 0); /** * Use either m_electrons, or m_electronsAlpha and m_electronsBeta. * This then carries through to the energy, coefficients etc. */ int m_electrons; int m_electronsAlpha; int m_electronsBeta; int m_normalModes; int m_numAtoms; int m_spin; int m_charge; unsigned int m_numBasisFunctions; std::vector m_aNums; std::vector m_aPos; std::vector m_shellTypes; std::vector m_shellNums; std::vector m_shelltoAtom; std::vector m_a; std::vector m_c; std::vector m_csp; std::vector m_orbitalEnergy; std::vector m_alphaOrbitalEnergy; std::vector m_betaOrbitalEnergy; std::vector m_MOcoeffs; std::vector m_alphaMOcoeffs; std::vector m_betaMOcoeffs; MatrixX m_density; /// Total density matrix MatrixX m_spinDensity; /// Spin density matrix Vector3 m_dipoleMoment; Core::ScfType m_scftype; Core::Array m_frequencies; Core::Array m_IRintensities; Core::Array m_RamanIntensities; Core::Array> m_vibDisplacements; }; } // namespace QuantumIO } // namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/quantumio/genericoutput.cpp000066400000000000000000000056521474375334400236000ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "genericoutput.h" #include #include #include #include "gamessus.h" #include "molden.h" #include "nwchemlog.h" #include "orca.h" #include namespace Avogadro::QuantumIO { GenericOutput::GenericOutput() {} GenericOutput::~GenericOutput() {} std::vector GenericOutput::fileExtensions() const { std::vector extensions; extensions.emplace_back("out"); extensions.emplace_back("output"); extensions.emplace_back("log"); return extensions; } std::vector GenericOutput::mimeTypes() const { return std::vector(); } bool GenericOutput::read(std::istream& in, Core::Molecule& molecule) { // check the stream line-by-line until we see the program name FileFormat* reader = nullptr; std::string line; while (std::getline(in, line)) { if (line.find("Northwest Computational Chemistry Package") != std::string::npos) { // NWChem reader = new NWChemLog; break; } else if (line.find("GAMESS VERSION") != std::string::npos) { // GAMESS-US .. don't know if we can read Firefly or GAMESS-UK reader = new GAMESSUSOutput; break; } else if (line.find("[Molden Format]") != std::string::npos) { // molden with .out extension reader = new MoldenFile; break; } else if (line.find("O R C A") != std::string::npos) { // ORCA reader reader = new ORCAOutput; break; } else if (line.find("xtb:") != std::string::npos) { // xtb reader reader = new Io::XyzFormat; break; } } // if we didn't find a program name, check for cclib or OpenBabel // prefer cclib if it's available if (reader == nullptr) { // check what output is available std::vector readers = Io::FileFormatManager::instance().fileFormatsFromFileExtension( "out", FileFormat::File | FileFormat::Read); // loop through writers to check for "cclib" or "Open Babel" for (const FileFormat* r : readers) { if (r->name() == "cclib") { reader = r->newInstance(); break; } else if (r->identifier().compare(0, 9, "OpenBabel") == 0) { reader = r->newInstance(); break; } } } // rewind the stream in.seekg(0, std::ios::beg); in.clear(); if (reader) { bool success = reader->readFile(fileName(), molecule); delete reader; return success; } else { appendError( "Could not determine the program used to generate this output file."); delete reader; return false; } } } // namespace Avogadro::QuantumIO avogadrolibs-1.100.0/avogadro/quantumio/genericoutput.h000066400000000000000000000027351474375334400232440ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QUANTUMIO_GENERICOUTPUT_H #define AVOGADRO_QUANTUMIO_GENERICOUTPUT_H #include "avogadroquantumioexport.h" #include #include #include namespace Avogadro { namespace QuantumIO { class AVOGADROQUANTUMIO_EXPORT GenericOutput : public Io::FileFormat { public: GenericOutput(); ~GenericOutput() override; Operations supportedOperations() const override { return Read | File | Stream | String; } FileFormat* newInstance() const override { return new GenericOutput; } std::string identifier() const override { return "Avogadro: Generic Output"; } std::string name() const override { return "Generic Output"; } std::string description() const override { return "Generic output format."; } std::string specificationUrl() const override { return ""; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& in, Core::Molecule& molecule) override; bool write(std::ostream&, const Core::Molecule&) override { // Empty, as we do not write output files. return false; } }; } // namespace QuantumIO } // namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/quantumio/molden.cpp000066400000000000000000000263401474375334400221560ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "molden.h" #include #include #include #include using std::cout; using std::endl; using std::string; using std::vector; namespace Avogadro::QuantumIO { using Core::Atom; using Core::GaussianSet; MoldenFile::MoldenFile() : m_coordFactor(1.0), m_electrons(0), m_mode(Unrecognized) { } MoldenFile::~MoldenFile() {} std::vector MoldenFile::fileExtensions() const { std::vector extensions; extensions.emplace_back("mold"); extensions.emplace_back("molf"); extensions.emplace_back("molden"); return extensions; } std::vector MoldenFile::mimeTypes() const { return std::vector(); } bool MoldenFile::read(std::istream& in, Core::Molecule& molecule) { // Read the log file line by line, most sections are terminated by an empty // line, so they should be retained. while (!in.eof() && in.good()) { processLine(in); } auto* basis = new GaussianSet; int nAtom = 0; for (unsigned int i = 0; i < m_aPos.size(); i += 3) { Atom a = molecule.addAtom(static_cast(m_aNums[nAtom++])); a.setPosition3d(Vector3(m_aPos[i], m_aPos[i + 1], m_aPos[i + 2])); } // Do simple bond perception. molecule.perceiveBondsSimple(); molecule.perceiveBondOrders(); molecule.setBasisSet(basis); basis->setMolecule(&molecule); load(basis); if (m_frequencies.size() > 0 && m_frequencies.size() == m_vibDisplacements.size()) { molecule.setVibrationFrequencies(m_frequencies); molecule.setVibrationLx(m_vibDisplacements); // if we don't have intensities, set them all to zero if (m_IRintensities.size() != m_frequencies.size()) { m_IRintensities.resize(m_frequencies.size()); for (unsigned int i = 0; i < m_frequencies.size(); i++) m_IRintensities[i] = 0.0; } molecule.setVibrationIRIntensities(m_IRintensities); if (m_RamanIntensities.size()) molecule.setVibrationRamanIntensities(m_RamanIntensities); } return true; } void MoldenFile::processLine(std::istream& in) { // First truncate the line, remove trailing white space and check for blanks. string line; if (!getline(in, line) || Core::trimmed(line).empty()) return; vector list = Core::split(line, ' '); // Big switch statement checking for various things we are interested in. The // Molden file format uses sections, each starts with a header line of the // form [Atoms], and the beginning of a new section denotes the end of the // last. if (Core::contains(line, "[Atoms]") || Core::contains(line, "[ATOMS]")) { if (list.size() > 1 && Core::contains(list[1], "AU")) m_coordFactor = BOHR_TO_ANGSTROM_D; m_mode = Atoms; } else if (Core::contains(line, "[GTO]")) { m_mode = GTO; } else if (Core::contains(line, "[MO]")) { m_mode = MO; } else if (Core::contains(line, "[FREQ]")) { m_mode = Frequencies; } else if (Core::contains(line, "[FR-NORM-COORD]")) { m_mode = VibrationalModes; } else if (Core::contains(line, "[INT]")) { m_mode = Intensities; } else if (Core::contains(line, "[")) { // unknown section m_mode = Unrecognized; } else { // We are in a section, and must parse the lines in that section. string shell; GaussianSet::orbital shellType; std::streampos currentPos = in.tellg(); // Parsing a line of data in a section - what mode are we in? switch (m_mode) { case Atoms: readAtom(list); break; case GTO: { // TODO: detect dead files and make bullet-proof int atom = Core::lexicalCast(list[0]); getline(in, line); line = Core::trimmed(line); while (!line.empty()) { // Read the shell types in this GTO. list = Core::split(line, ' '); if (list.size() < 1) break; shell = list[0]; shellType = GaussianSet::UU; if (shell == "sp") shellType = GaussianSet::SP; else if (shell == "s") shellType = GaussianSet::S; else if (shell == "p") shellType = GaussianSet::P; else if (shell == "d") shellType = GaussianSet::D; else if (shell == "f") shellType = GaussianSet::F; else if (shell == "g") shellType = GaussianSet::G; if (shellType != GaussianSet::UU) { m_shellTypes.push_back(shellType); m_shelltoAtom.push_back(atom); } else { return; } int numGTOs = Core::lexicalCast(list[1]); m_shellNums.push_back(numGTOs); // Now read all the exponents and contraction coefficients. for (int gto = 0; gto < numGTOs; ++gto) { getline(in, line); line = Core::trimmed(line); list = Core::split(line, ' '); if (list.size() > 1) { m_a.push_back(Core::lexicalCast(list[0])); m_c.push_back(Core::lexicalCast(list[1])); } if (shellType == GaussianSet::SP && list.size() > 2) m_csp.push_back(Core::lexicalCast(list[2])); } // Start reading the next shell. getline(in, line); line = Core::trimmed(line); } } break; case MO: // Parse the occupation, spin, energy, etc (Occup, Spin, Ene). while (!line.empty() && Core::contains(line, "=")) { getline(in, line); line = Core::trimmed(line); list = Core::split(line, ' '); if (Core::contains(line, "Occup")) m_electrons += Core::lexicalCast(list[1]); else if (Core::contains(line, "Ene")) m_orbitalEnergy.push_back(Core::lexicalCast(list[1])); // TODO: track alpha beta spin } // Parse the molecular orbital coefficients. while (!line.empty() && !Core::contains(line, "=") && !Core::contains(line, "[")) { list = Core::split(line, ' '); if (list.size() < 2) break; m_MOcoeffs.push_back(Core::lexicalCast(list[1])); getline(in, line); line = Core::trimmed(line); list = Core::split(line, ' '); } // go back to previous line in.seekg(currentPos); break; case Frequencies: // Parse the frequencies. m_frequencies.clear(); while (!line.empty() && !Core::contains(line, "[")) { line = Core::trimmed(line); m_frequencies.push_back(Core::lexicalCast(line)); currentPos = in.tellg(); getline(in, line); } // go back to previous line in.seekg(currentPos); break; case VibrationalModes: // Parse the vibrational modes. // should be "vibration 1" etc. // then the normal mode displacements m_vibDisplacements.clear(); // shouldn't be more than the number of frequencies while (!line.empty() && !Core::contains(line, "[")) { if (Core::contains(line, "vibration")) { m_vibDisplacements.push_back(Core::Array()); getline(in, line); line = Core::trimmed(line); while (!line.empty() && !Core::contains(line, "[") && !Core::contains(line, "vibration")) { list = Core::split(line, ' '); if (list.size() < 3) break; m_vibDisplacements.back().push_back(Vector3( Core::lexicalCast(list[0]) * BOHR_TO_ANGSTROM_D, Core::lexicalCast(list[1]) * BOHR_TO_ANGSTROM_D, Core::lexicalCast(list[2]) * BOHR_TO_ANGSTROM_D)); currentPos = in.tellg(); getline(in, line); line = Core::trimmed(line); } } else { // we shouldn't hit this, but better to be safe break; } // okay, we're either done reading // or we're at the next vibration if (m_vibDisplacements.size() == m_frequencies.size()) { // reset to make sure we don't miss any other sections // (e.g., intensities) in.seekg(currentPos); break; } } break; case Intensities: // could be just IR or two pieces including Raman while (!line.empty() && !Core::contains(line, "[")) { list = Core::split(line, ' '); m_IRintensities.push_back(Core::lexicalCast(list[0])); if (list.size() == 2) m_RamanIntensities.push_back(Core::lexicalCast(list[1])); if (m_IRintensities.size() == m_frequencies.size()) { // we're done break; } currentPos = in.tellg(); getline(in, line); line = Core::trimmed(line); } break; default: break; } } } void MoldenFile::readAtom(const vector& list) { // element_name number atomic_number x y z if (list.size() < 6) return; m_aNums.push_back(Core::lexicalCast(list[2])); m_aPos.push_back(Core::lexicalCast(list[3]) * m_coordFactor); m_aPos.push_back(Core::lexicalCast(list[4]) * m_coordFactor); m_aPos.push_back(Core::lexicalCast(list[5]) * m_coordFactor); } void MoldenFile::load(GaussianSet* basis) { // Now load up our basis set basis->setElectronCount(m_electrons); // Set up the GTO primitive counter, go through the shells and add them int nGTO = 0; int nSP = 0; // number of SP shells for (unsigned int i = 0; i < m_shellTypes.size(); ++i) { // Handle the SP case separately - this should possibly be a distinct type if (m_shellTypes.at(i) == GaussianSet::SP) { // SP orbital type - currently have to unroll into two shells int s = basis->addBasis(m_shelltoAtom[i] - 1, GaussianSet::S); int p = basis->addBasis(m_shelltoAtom[i] - 1, GaussianSet::P); for (int j = 0; j < m_shellNums[i]; ++j) { basis->addGto(s, m_c[nGTO], m_a[nGTO]); basis->addGto(p, m_csp[nSP], m_a[nGTO]); ++nSP; ++nGTO; } } else { int b = basis->addBasis(m_shelltoAtom[i] - 1, m_shellTypes[i]); for (int j = 0; j < m_shellNums[i]; ++j) { basis->addGto(b, m_c[nGTO], m_a[nGTO]); ++nGTO; } } } // Now to load in the MO coefficients if (m_MOcoeffs.size()) basis->setMolecularOrbitals(m_MOcoeffs); if (m_orbitalEnergy.size()) basis->setMolecularOrbitalEnergy(m_orbitalEnergy); } void MoldenFile::outputAll() { cout << "Shell mappings:\n"; for (unsigned int i = 0; i < m_shellTypes.size(); ++i) cout << i << ": type = " << m_shellTypes.at(i) << ", number = " << m_shellNums.at(i) << ", atom = " << m_shelltoAtom.at(i) << endl; cout << "MO coefficients:\n"; for (double m_MOcoeff : m_MOcoeffs) cout << m_MOcoeff << "\t"; cout << endl; } } // namespace Avogadro::QuantumIO avogadrolibs-1.100.0/avogadro/quantumio/molden.h000066400000000000000000000046401474375334400216220ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QUANTUMIO_MOLDEN_H #define AVOGADRO_QUANTUMIO_MOLDEN_H #include "avogadroquantumioexport.h" #include #include #include #include namespace Avogadro { namespace QuantumIO { class AVOGADROQUANTUMIO_EXPORT MoldenFile : public Io::FileFormat { public: MoldenFile(); ~MoldenFile() override; Operations supportedOperations() const override { return Read | File | Stream | String; } FileFormat* newInstance() const override { return new MoldenFile; } std::string identifier() const override { return "Avogadro: Molden"; } std::string name() const override { return "Molden"; } std::string description() const override { return "Molden file format."; } std::string specificationUrl() const override { return "http://www.cmbi.ru.nl/molden/molden_format.html"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& in, Core::Molecule& molecule) override; bool write(std::ostream&, const Core::Molecule&) override { // Empty, as we do not write out Molden files. return false; } private: void outputAll(); void processLine(std::istream& in); void readAtom(const std::vector& list); void load(Core::GaussianSet* basis); double m_coordFactor; int m_electrons; unsigned int m_numBasisFunctions; std::vector m_aNums; std::vector m_aPos; std::vector m_shellTypes; std::vector m_shellNums; std::vector m_shelltoAtom; std::vector m_a; std::vector m_c; std::vector m_csp; std::vector m_orbitalEnergy; std::vector m_MOcoeffs; Core::Array m_frequencies; Core::Array m_IRintensities; Core::Array m_RamanIntensities; Core::Array> m_vibDisplacements; enum Mode { Atoms, GTO, MO, Frequencies, VibrationalModes, Intensities, Unrecognized }; Mode m_mode; }; } // namespace QuantumIO } // namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/quantumio/mopacaux.cpp000066400000000000000000000361601474375334400225160ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "mopacaux.h" #include #include #include #include using std::cout; using std::endl; using std::string; using std::vector; namespace Avogadro::QuantumIO { using Core::Atom; using Core::SlaterSet; MopacAux::MopacAux() : m_electrons(0) {} MopacAux::~MopacAux() {} std::vector MopacAux::fileExtensions() const { std::vector extensions; extensions.emplace_back("aux"); return extensions; } std::vector MopacAux::mimeTypes() const { return std::vector(); } bool MopacAux::read(std::istream& in, Core::Molecule& molecule) { // Read the log file line by line, most sections are terminated by an empty // line, so they should be retained. while (!in.eof()) processLine(in); auto* basis = new SlaterSet; for (unsigned int i = 0; i < m_atomPos.size(); ++i) { Atom a = molecule.addAtom(static_cast(m_atomNums[i])); a.setPosition3d(m_atomPos[i]); } // Do simple bond perception. molecule.perceiveBondsSimple(); molecule.perceiveBondOrders(); molecule.setBasisSet(basis); basis->setMolecule(&molecule); load(basis); // check if there is vibrational data if (m_frequencies.size() > 0) { // convert the std::vector to Array Core::Array frequencies(m_frequencies.size()); for (unsigned int i = 0; i < m_frequencies.size(); ++i) frequencies[i] = m_frequencies[i]; molecule.setVibrationFrequencies(frequencies); // convert the std::vector to Array Core::Array intensities(m_frequencies.size(), 0.0); if (m_irIntensities.size() == m_frequencies.size()) { for (unsigned int i = 0; i < m_irIntensities.size(); ++i) intensities[i] = m_irIntensities[i]; } molecule.setVibrationIRIntensities(intensities); // wrap the normal modes into a vector of vectors Core::Array> normalModes; Core::Array normalMode; Index atomCount = molecule.atomCount(); for (unsigned int i = 0; i < m_normalModes.size(); ++i) { normalMode.push_back(m_normalModes[i]); if (i % atomCount == 0 && normalMode.size() > 0) { normalModes.push_back(normalMode); normalMode.clear(); } } molecule.setVibrationLx(normalModes); } // add charges and properties molecule.setData("totalCharge", m_charge); molecule.setData("totalSpinMultiplicity", m_spin); molecule.setData("dipoleMoment", m_dipoleMoment); molecule.setData("DeltaH", m_heatOfFormation); molecule.setData("Area", m_area); molecule.setData("Volume", m_volume); if (m_partialCharges.size() > 0) { MatrixX charges(m_partialCharges.size(), 1); for (size_t i = 0; i < m_partialCharges.size(); ++i) charges(i, 0) = m_partialCharges[i]; molecule.setPartialCharges("MOPAC", charges); } // if we have more than one coordinate set if (m_coordSets.size() > 1) { for (unsigned int i = 0; i < m_coordSets.size(); ++i) { Core::Array positions; positions.reserve(molecule.atomCount()); for (size_t j = 0; j < molecule.atomCount(); ++j) { positions.push_back(m_coordSets[i][j]); } molecule.setCoordinate3d(positions, i); } } return true; } void MopacAux::processLine(std::istream& in) { // First truncate the line, remove trailing white space and check string line; if (!getline(in, line) || Core::trimmed(line).empty()) return; string key = Core::trimmed(line); // Big switch statement checking for various things we are interested in if (Core::contains(key, "ATOM_EL")) { int tmp = Core::lexicalCast(key.substr(key.find('[') + 1, 4)); cout << "Number of atoms = " << tmp << endl; m_atomNums = readArrayElements(in, tmp); } else if (Core::contains(key, "HEAT_OF_FORMATION:KCAL/MOL")) { vector list = Core::split(line, '='); if (list.size() > 1) { std::replace(list[1].begin(), list[1].end(), 'D', 'E'); m_heatOfFormation = Core::lexicalCast(list[1]); cout << "Heat of formation = " << m_heatOfFormation << " kcal/mol" << endl; } } else if (Core::contains(key, "AREA:SQUARE ANGSTROMS")) { vector list = Core::split(line, '='); if (list.size() > 1) { std::replace(list[1].begin(), list[1].end(), 'D', 'E'); m_area = Core::lexicalCast(list[1]); cout << "Area = " << m_area << " square Angstroms" << endl; } } else if (Core::contains(key, "VOLUME:CUBIC ANGSTROMS")) { vector list = Core::split(line, '='); if (list.size() > 1) { std::replace(list[1].begin(), list[1].end(), 'D', 'E'); m_volume = Core::lexicalCast(list[1]); cout << "Volume = " << m_volume << " cubic Angstroms" << endl; } } else if (Core::contains(key, "KEYWORDS=")) { // parse for charge and spin std::vector list = Core::split(key, ' '); for (size_t i = 0; i < list.size(); ++i) { if (Core::contains(list[i], "CHARGE=")) { m_charge = Core::lexicalCast(list[i].substr(7)); } else if (Core::contains(list[i], "DOUBLET")) { m_spin = 2; } else if (Core::contains(list[i], "TRIPLET")) { m_spin = 3; } else if (Core::contains(list[i], "QUARTET")) { m_spin = 4; } else if (Core::contains(list[i], "QUINTET")) { m_spin = 5; } else if (Core::contains(list[i], "SEXTET")) { m_spin = 6; } else if (Core::contains(list[i], "SEPTET")) { m_spin = 7; } else if (Core::contains(list[i], "OCTET")) { m_spin = 8; } else if (Core::contains(list[i], "NONET")) { m_spin = 9; } } } else if (Core::contains(key, "DIP_VEC:DEBYE")) { vector list = Core::split(line, '='); if (list.size() > 1) { // split based on spaces std::replace(list[1].begin(), list[1].end(), 'D', 'E'); vector dipole = Core::split(list[1], ' '); if (dipole.size() == 3) { m_dipoleMoment = Vector3(Core::lexicalCast(dipole[0]), Core::lexicalCast(dipole[1]), Core::lexicalCast(dipole[2])); } } cout << "Dipole moment " << m_dipoleMoment.norm() << " Debye" << endl; } else if (Core::contains(key, "AO_ATOMINDEX")) { int tmp = Core::lexicalCast(key.substr(key.find('[') + 1, 4)); cout << "Number of atomic orbitals = " << tmp << endl; m_atomIndex = readArrayI(in, tmp); for (int& i : m_atomIndex) --i; } else if (Core::contains(key, "ATOM_SYMTYPE")) { int tmp = Core::lexicalCast(key.substr(key.find('[') + 1, 4)); cout << "Number of atomic orbital types = " << tmp << endl; m_atomSym = readArraySym(in, tmp); } else if (Core::contains(key, "AO_ZETA")) { int tmp = Core::lexicalCast(key.substr(key.find('[') + 1, 4)); cout << "Number of zeta values = " << tmp << endl; m_zeta = readArrayD(in, tmp); } else if (Core::contains(key, "ATOM_CHARGES")) { int tmp = Core::lexicalCast(key.substr(key.find('[') + 1, 4)); cout << "Number of atomic charges = " << tmp << endl; m_partialCharges = readArrayD(in, tmp); } else if (Core::contains(key, "ATOM_PQN")) { int tmp = Core::lexicalCast(key.substr(key.find('[') + 1, 4)); cout << "Number of PQN values =" << tmp << endl; m_pqn = readArrayI(in, tmp); } else if (Core::contains(key, "NUM_ELECTRONS")) { vector list = Core::split(line, '='); if (list.size() > 1) { m_electrons = Core::lexicalCast(list[1]); cout << "Number of electrons = " << m_electrons << endl; } } else if (Core::contains(key, "ATOM_X")) { int tmp = Core::lexicalCast(key.substr(key.find('[') + 1, 4)); cout << "Number of atomic coordinates = " << tmp << endl; m_atomPos = readArrayVec(in, tmp); m_coordSets.push_back(m_atomPos); } else if (Core::contains(key, "OVERLAP_MATRIX")) { int tmp = Core::lexicalCast(key.substr(key.find('[') + 1, 6)); cout << "Size of lower half triangle of overlap matrix = " << tmp << endl; readOverlapMatrix(in, tmp); } else if (Core::contains(key, "EIGENVECTORS")) { // For large molecules the Eigenvectors counter overflows to [*****] // So just use the square of the m_atomIndex array // QString tmp = key.mid(key.indexOf('[')+1, 6); cout << "Size of eigen vectors matrix = " << m_atomIndex.size() * m_atomIndex.size() << endl; readEigenVectors(in, static_cast(m_atomIndex.size() * m_atomIndex.size())); } else if (Core::contains(key, "TOTAL_DENSITY_MATRIX")) { int tmp = Core::lexicalCast(key.substr(key.find('[') + 1, 6)); cout << "Size of lower half triangle of density matrix = " << tmp << endl; readDensityMatrix(in, tmp); } else if (Core::contains(key, "VIB._FREQ")) { int tmp = Core::lexicalCast(key.substr(key.find('[') + 1, 6)); readVibrationFrequencies(in, tmp); } else if (Core::contains(key, "VIB._T_DIP")) { int tmp = Core::lexicalCast(key.substr(key.find('[') + 1, 6)); readVibrationIntensities(in, tmp); } else if (Core::contains(key, "NORMAL_MODES")) { int tmp = Core::lexicalCast(key.substr(key.find('[') + 1, 6)); readNormalModes(in, tmp); } } void MopacAux::load(SlaterSet* basis) { if (m_atomPos.size() == 0) { cout << "No atoms found in .aux file. Bailing out." << endl; // basis->setIsValid(false); return; } // Now load up our basis set basis->addSlaterIndices(m_atomIndex); basis->addSlaterTypes(m_atomSym); basis->addZetas(m_zeta); basis->addPQNs(m_pqn); basis->setElectronCount(m_electrons); basis->addOverlapMatrix(m_overlap); basis->addEigenVectors(m_eigenVectors); basis->addDensityMatrix(m_density); } vector MopacAux::readArrayElements(std::istream& in, unsigned int n) { vector tmp; while (tmp.size() < n) { string line; getline(in, line); vector list = Core::split(line, ' '); for (auto& i : list) { tmp.push_back( static_cast(Core::Elements::atomicNumberFromSymbol(i))); } } return tmp; } vector MopacAux::readArrayI(std::istream& in, unsigned int n) { vector tmp; while (tmp.size() < n) { string line; getline(in, line); vector list = Core::split(line, ' '); for (auto& i : list) tmp.push_back(Core::lexicalCast(i)); } return tmp; } vector MopacAux::readArrayD(std::istream& in, unsigned int n) { vector tmp; while (tmp.size() < n) { string line; getline(in, line); vector list = Core::split(line, ' '); for (auto& i : list) tmp.push_back(Core::lexicalCast(i)); } return tmp; } vector MopacAux::readArraySym(std::istream& in, unsigned int n) { int type; vector tmp; while (tmp.size() < n) { string line; getline(in, line); vector list = Core::split(line, ' '); for (auto& i : list) { if (i == "S") type = SlaterSet::S; else if (i == "PX") type = SlaterSet::PX; else if (i == "PY") type = SlaterSet::PY; else if (i == "PZ") type = SlaterSet::PZ; else if (i == "X2") type = SlaterSet::X2; else if (i == "XZ") type = SlaterSet::XZ; else if (i == "Z2") type = SlaterSet::Z2; else if (i == "YZ") type = SlaterSet::YZ; else if (i == "XY") type = SlaterSet::XY; else type = SlaterSet::UU; tmp.push_back(type); } } return tmp; } vector MopacAux::readArrayVec(std::istream& in, unsigned int n) { vector tmp(n / 3); double* ptr = tmp[0].data(); unsigned int cnt = 0; while (cnt < n) { string line; getline(in, line); vector list = Core::split(line, ' '); for (auto& i : list) ptr[cnt++] = Core::lexicalCast(i); } return tmp; } bool MopacAux::readVibrationFrequencies(std::istream& in, unsigned int n) { vector tmp = readArrayD(in, n); m_frequencies.insert(m_frequencies.end(), tmp.begin(), tmp.end()); return true; } bool MopacAux::readVibrationIntensities(std::istream& in, unsigned int n) { vector tmp = readArrayD(in, n); m_irIntensities.insert(m_irIntensities.end(), tmp.begin(), tmp.end()); return true; } bool MopacAux::readNormalModes(std::istream& in, unsigned int n) { vector tmp = readArrayVec(in, n); m_normalModes.insert(m_normalModes.end(), tmp.begin(), tmp.end()); return true; } bool MopacAux::readOverlapMatrix(std::istream& in, unsigned int n) { m_overlap.resize(m_zeta.size(), m_zeta.size()); unsigned int cnt = 0; unsigned int i = 0, j = 0; unsigned int f = 1; // Skip the first comment line... string line; getline(in, line); while (cnt < n) { getline(in, line); vector list = Core::split(line, ' '); for (auto& k : list) { // m_overlap.part()(i, j) = list.at(k).toDouble(); m_overlap(i, j) = m_overlap(j, i) = Core::lexicalCast(k); ++i; ++cnt; if (i == f) { // We need to move down to the next row and increment f - lower tri i = 0; ++f; ++j; } } } return true; } bool MopacAux::readEigenVectors(std::istream& in, unsigned int n) { m_eigenVectors.resize(m_zeta.size(), m_zeta.size()); unsigned int cnt = 0; unsigned int i = 0, j = 0; while (cnt < n) { string line; getline(in, line); vector list = Core::split(line, ' '); for (auto& k : list) { m_eigenVectors(i, j) = Core::lexicalCast(k); ++i; ++cnt; if (i == m_zeta.size()) { // We need to move down to the next row and increment f - lower tri i = 0; ++j; } } } return true; } bool MopacAux::readDensityMatrix(std::istream& in, unsigned int n) { m_density.resize(m_zeta.size(), m_zeta.size()); unsigned int cnt = 0; unsigned int i = 0, j = 0; unsigned int f = 1; // Skip the first comment line... string line; getline(in, line); while (cnt < n) { getline(in, line); vector list = Core::split(line, ' '); for (auto& k : list) { // m_overlap.part()(i, j) = list.at(k).toDouble(); m_density(i, j) = m_density(j, i) = Core::lexicalCast(k); ++i; ++cnt; if (i == f) { // We need to move down to the next row and increment f - lower tri i = 0; ++f; ++j; } } } return true; } void MopacAux::outputAll() { cout << "Shell mappings:\n"; for (unsigned int i = 0; i < m_shellTypes.size(); ++i) cout << i << ": type = " << m_shellTypes.at(i) << ", number = " << m_shellNums.at(i) << ", atom = " << m_shelltoAtom.at(i) << endl; cout << "MO coefficients:\n"; for (double m_MOcoeff : m_MOcoeffs) cout << m_MOcoeff << "\t"; cout << endl; } } // namespace Avogadro::QuantumIO avogadrolibs-1.100.0/avogadro/quantumio/mopacaux.h000066400000000000000000000063721474375334400221650ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QUANTUMIO_MOPACAUX_H #define AVOGADRO_QUANTUMIO_MOPACAUX_H #include "avogadroquantumioexport.h" #include #include #include #include namespace Avogadro { namespace QuantumIO { class AVOGADROQUANTUMIO_EXPORT MopacAux : public Io::FileFormat { public: MopacAux(); ~MopacAux() override; void outputAll(); Operations supportedOperations() const override { return Read | File | Stream | String; } FileFormat* newInstance() const override { return new MopacAux; } std::string identifier() const override { return "Avogadro: MOPAC"; } std::string name() const override { return "MOPAC AUX"; } std::string description() const override { return "MOPAC AUX file format."; } std::string specificationUrl() const override { return "http://openmopac.net/manual/auxiliary.html"; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& in, Core::Molecule& molecule) override; bool write(std::ostream&, const Core::Molecule&) override { // Empty, as we do not write out MOPAC AUX files. return false; } private: void processLine(std::istream& in); void load(Core::SlaterSet* basis); std::vector readArrayElements(std::istream& in, unsigned int n); std::vector readArrayI(std::istream& in, unsigned int n); std::vector readArrayD(std::istream& in, unsigned int n); std::vector readArraySym(std::istream& in, unsigned int n); std::vector readArrayVec(std::istream& in, unsigned int n); bool readOverlapMatrix(std::istream& in, unsigned int n); bool readEigenVectors(std::istream& in, unsigned int n); bool readDensityMatrix(std::istream& in, unsigned int n); bool readVibrationFrequencies(std::istream& in, unsigned int n); bool readVibrationIntensities(std::istream& in, unsigned int n); bool readNormalModes(std::istream& in, unsigned int n); int m_electrons; int m_charge = 0; int m_spin = 1; Vector3 m_dipoleMoment; std::vector m_partialCharges; double m_heatOfFormation; double m_area; double m_volume; std::vector m_shellTypes; std::vector m_shellNums; std::vector m_shelltoAtom; std::vector m_c; std::vector m_csp; std::vector m_orbitalEnergy; std::vector m_MOcoeffs; std::vector m_atomIndex; std::vector m_atomSym; std::vector m_atomNums; std::vector m_zeta; std::vector m_pqn; std::vector m_atomPos; std::vector> m_coordSets; std::vector m_frequencies; std::vector m_irIntensities; std::vector m_normalModes; Eigen::MatrixXd m_overlap; /// Overlap matrix Eigen::MatrixXd m_eigenVectors; Eigen::MatrixXd m_density; /// Total density matrix }; } // End namespace QuantumIO } // End namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/quantumio/nwchemjson.cpp000066400000000000000000000256541474375334400230620ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "nwchemjson.h" #include #include #include #include #include #include #include #include namespace Avogadro::QuantumIO { using std::string; using std::vector; using nlohmann::json; using Core::Array; using Core::Atom; using Core::GaussianSet; using Core::Molecule; using Core::split; NWChemJson::NWChemJson() {} NWChemJson::~NWChemJson() {} bool NWChemJson::read(std::istream& file, Molecule& molecule) { json root; try { file >> root; } catch (json::parse_error& e) { appendError("Error parsing JSON: " + string(e.what())); return false; } if (!root.is_object()) { appendError("Error: Input is not a JSON object."); return false; } if (root.find("simulation") == root.end()) { appendError("Error: no \"simulation\" key found."); return false; } json simulation = root["simulation"]; if (simulation.find("calculations") == simulation.end() || !simulation["calculations"].is_array()) { appendError("Error: no \"calculations\" array found."); return false; } // Scan the calculations array for calculationSetup.molecule objects. json calculations = simulation["calculations"]; // Iterate through the objects in the array, and print out any molecules. json moleculeArray = json::array(); json basisSetArray = json::array(); json calculationVib; json molecularOrbitals; int numberOfElectrons = 0; string theory; string xcFunctional; for (const auto& calcObj : calculations) { if (calcObj.is_object()) { string calcType = calcObj.value("calculationType", ""); // Store the last vibrational frequencies calculation object. if (calcType == "vibrationalModes") calculationVib = calcObj; json calcSetup = calcObj.value("calculationSetup", json()); json calcMol = calcSetup.value("molecule", json()); numberOfElectrons = calcSetup.value("numberOfElectrons", -1); if (calcSetup.count("exchangeCorrelationFunctional") && calcSetup["exchangeCorrelationFunctional"].is_array() && !calcSetup["exchangeCorrelationFunctional"].empty()) { json functional = calcSetup["exchangeCorrelationFunctional"][0]; if (functional.is_object()) { xcFunctional = functional.value("xcName", ""); } if (xcFunctional == "B3LYP Method XC Potential") { xcFunctional = "b3lyp"; } } if (calcSetup.count("waveFunctionTheory")) { theory = calcSetup["waveFunctionTheory"].get(); if (theory == "Density Functional Theory") { theory = "dft"; } } if (!calcMol.is_null() && calcMol.is_object()) moleculeArray.push_back(calcMol); json basisSet = calcSetup.value("basisSet", json()); if (!basisSet.is_null() && basisSet.is_object()) basisSetArray.push_back(basisSet); json calcResults = calcObj.value("calculationResults", json()); calcMol = calcResults.value("molecule", json()); if (!calcMol.is_null() && calcMol.is_object()) moleculeArray.push_back(calcMol); // There is currently one id for all, just get the last one we find. if (calcResults.count("molecularOrbitals") && calcResults["molecularOrbitals"].is_object()) { molecularOrbitals = calcResults["molecularOrbitals"]; } } } // For now, we are just grabbing the "last" molecule, and using that. This // needs more complex logic to step through the file and do it properly. json atoms; if (!moleculeArray.empty()) { json finalMol = moleculeArray.back(); atoms = finalMol.value("atoms", json()); } if (atoms.is_array()) { for (auto jsonAtom : atoms) { if (jsonAtom.is_null() || !jsonAtom.is_object()) continue; Atom a = molecule.addAtom( static_cast(jsonAtom.value("elementNumber", 0))); json pos = jsonAtom["cartesianCoordinates"]["value"]; Vector3 position; if (pos.is_array() && pos.size() >= 3) position = Vector3(pos[0], pos[1], pos[2]); string units = jsonAtom["cartesianCoordinates"]["units"]; if (units == "bohr") position *= BOHR_TO_ANGSTROM_D; a.setPosition3d(position); } } // Perceive bonds for the molecule. molecule.perceiveBondsSimple(); molecule.perceiveBondOrders(); // Add in the electronic structure information if available. if (molecularOrbitals.is_object() && molecularOrbitals["atomicOrbitalDescriptions"].is_array()) { json basisSet; if (!basisSetArray.empty()) basisSet = basisSetArray.back(); json orbDesc = molecularOrbitals.value("atomicOrbitalDescriptions", json()); // Figure out the mapping of basis set to molecular orbitals. Array atomNumber; Array atomSymbol; for (auto & i : orbDesc) { string desc = i; vector parts = split(desc, ' '); assert(parts.size() == 3); int num = Core::lexicalCast(parts[0]); if (atomNumber.size() > 0 && atomNumber.back() == num) continue; atomNumber.push_back(num); atomSymbol.push_back(parts[1]); } // Now create the structure, and expand out the orbitals. auto* basis = new GaussianSet; basis->setMolecule(&molecule); string basisSetName; for (size_t i = 0; i < atomSymbol.size(); ++i) { string symbol = atomSymbol[i]; json basisFunctions = basisSet.value("basisFunctions", json()); json currentFunction; for (auto & basisFunction : basisFunctions) { currentFunction = basisFunction; string elementType; if (currentFunction.count("elementLabel")) elementType = currentFunction["elementLabel"].get(); else if (currentFunction.count("elementType")) elementType = currentFunction["elementType"].get(); if (elementType == symbol) break; currentFunction = json(); } if (currentFunction.is_null()) break; if (currentFunction.count("basisSetName")) { if (basisSetName.empty()) { basisSetName = currentFunction["basisSetName"].get(); } else if (basisSetName != currentFunction["basisSetName"]) { basisSetName = "Custom"; } } json contraction = currentFunction.value("basisSetContraction", json()); bool spherical = currentFunction.value("basisSetHarmonicType", "") == "spherical"; for (auto contractionShell : contraction) { string shellType; if (contractionShell.count("basisSetShell")) shellType = contractionShell["basisSetShell"].get(); else if (contractionShell.count("basisSetShellType")) shellType = contractionShell["basisSetShellType"].get(); json exponent = contractionShell.value("basisSetExponent", json()); json coefficient = contractionShell.value("basisSetCoefficient", json()); assert(exponent.size() == coefficient.size()); GaussianSet::orbital type = GaussianSet::UU; if (shellType == "s") type = GaussianSet::S; else if (shellType == "p") type = GaussianSet::P; else if (shellType == "d" && spherical) type = GaussianSet::D5; else if (shellType == "d") type = GaussianSet::D; else if (shellType == "f" && spherical) type = GaussianSet::F7; else if (shellType == "f") type = GaussianSet::F; if (type != GaussianSet::UU) { int b = basis->addBasis(i, type); for (size_t k = 0; k < exponent.size() && k < coefficient.size(); ++k) { basis->addGto(b, coefficient[k], exponent[k]); } } } } // Now to add the molecular orbital coefficients. json moCoeffs = molecularOrbitals.value("molecularOrbital", json()); vector coeffArray; vector energyArray; vector occArray; vector numArray; for (auto currentMO : moCoeffs) { json coeff = currentMO.value("moCoefficients", json()); for (auto & j : coeff) coeffArray.push_back(j); if (currentMO.count("orbitalEnergy")) { energyArray.push_back(currentMO["orbitalEnergy"].value("value", 0.0)); } if (currentMO.count("orbitalOccupancy")) { occArray.push_back( static_cast(currentMO["orbitalOccupancy"])); } if (currentMO.count("orbitalNumber")) { numArray.push_back( static_cast(currentMO["orbitalNumber"])); } } basis->setMolecularOrbitals(coeffArray); basis->setMolecularOrbitalEnergy(energyArray); basis->setMolecularOrbitalOccupancy(occArray); basis->setMolecularOrbitalNumber(numArray); basis->setElectronCount(numberOfElectrons); basis->setFunctionalName(xcFunctional); basis->setName(basisSetName); basis->setTheoryName(theory); molecule.setBasisSet(basis); } // Now to see if there was a vibrational frequencies calculation. if (!calculationVib.is_null() && calculationVib.is_object()) { json normalModes = calculationVib.value("calculationResults", json()) .value("normalModes", json()); if (!normalModes.is_null() && normalModes.is_array()) { Array frequencies; Array intensities; Array> Lx; for (const auto& mode : normalModes) { frequencies.push_back( mode.value("normalModeFrequency", json()).value("value", 0.0)); intensities.push_back(mode.value("normalModeInfraRedIntensity", json()) .value("value", 0.0)); json lx = mode.value("normalModeVector", json()).value("value", json()); if (!lx.empty() && lx.is_array()) { Array modeLx; modeLx.resize(lx.size() / 3); for (size_t k = 0; k < lx.size(); ++k) modeLx[k / 3][k % 3] = lx[k]; Lx.push_back(modeLx); } } molecule.setVibrationFrequencies(frequencies); molecule.setVibrationIRIntensities(intensities); molecule.setVibrationLx(Lx); } } return true; } bool NWChemJson::write(std::ostream&, const Molecule&) { return false; } vector NWChemJson::fileExtensions() const { vector ext; ext.emplace_back("json"); ext.emplace_back("nwjson"); return ext; } vector NWChemJson::mimeTypes() const { vector mime; mime.emplace_back("chemical/x-nwjson"); return mime; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/quantumio/nwchemjson.h000066400000000000000000000030651474375334400225170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QUANTUMIO_NWCHEMJSON_H #define AVOGADRO_QUANTUMIO_NWCHEMJSON_H #include "avogadroquantumioexport.h" #include namespace Avogadro { namespace QuantumIO { /** * @class NWChemJson nwchemjson.h * @brief Implementation of the NWChem JSON format. * @author Marcus D. Hanwell */ class AVOGADROQUANTUMIO_EXPORT NWChemJson : public Io::FileFormat { public: NWChemJson(); ~NWChemJson() override; Operations supportedOperations() const override { return Read | File | Stream | String; } FileFormat* newInstance() const override { return new NWChemJson; } std::string identifier() const override { return "Avogadro: NWCHEMJSON"; } std::string name() const override { return "NWChem JSON"; } std::string description() const override { return "TODO: Describe the format."; } std::string specificationUrl() const override { return ""; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& in, Core::Molecule& molecule) override; bool write(std::ostream& out, const Core::Molecule& molecule) override; }; } // end QuantumIO namespace } // end Avogadro namespace #endif // AVOGADRO_IO_NWCHEMJSON_H avogadrolibs-1.100.0/avogadro/quantumio/nwchemlog.cpp000066400000000000000000000123711474375334400226620ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "nwchemlog.h" #include #include #include #include using std::vector; using std::string; namespace Avogadro::QuantumIO { using Core::Atom; NWChemLog::NWChemLog() { } NWChemLog::~NWChemLog() { } std::vector NWChemLog::fileExtensions() const { std::vector extensions; extensions.emplace_back("nwchem"); return extensions; } std::vector NWChemLog::mimeTypes() const { return std::vector(); } bool NWChemLog::read(std::istream& in, Core::Molecule& molecule) { // Read the log file line by line, most sections are terminated by an empty // line, so they should be retained. while (!in.eof()) processLine(in, molecule); if (0 == molecule.atomCount()){ appendError("Could not find any atomic coordinates! Are you sure this is an NWChem output file?"); return false; } if (m_frequencies.size() > 0 && m_frequencies.size() == m_Lx.size() && m_frequencies.size() == m_intensities.size()) { molecule.setVibrationFrequencies(m_frequencies); molecule.setVibrationIRIntensities(m_intensities); molecule.setVibrationLx(m_Lx); } // GaussianSet *basis = new GaussianSet; // Do simple bond perception. molecule.perceiveBondsSimple(); molecule.perceiveBondOrders(); return true; } void NWChemLog::processLine(std::istream& in, Core::Molecule& mol) { // First truncate the line, remove trailing white space and check string line; if (!getline(in, line) || Core::trimmed(line).empty()) return; string key = Core::trimmed(line); // Big switch statement checking for various things we are interested in if (Core::contains(key, "Output coordinates")) { if (mol.atomCount()) mol.clearAtoms(); readAtoms(in, mol); } else if (Core::contains(key, "P.Frequency")) { readFrequencies(line, in, mol); } else if (Core::contains(key, "Projected Infra")) { readIntensities(in, mol); } } void NWChemLog::readAtoms(std::istream& in, Core::Molecule& mol) { string line; // Skip the next three lines, headers, blanks... for (int i = 0; i < 3; ++i) if (!getline(in, line)) return; while (true) { if (!getline(in, line)) return; vector parts = Core::split(line, ' '); // Keep going until the expected number of components is not seen. if (parts.size() != 6) break; unsigned char element = Core::Elements::atomicNumberFromSymbol(parts[1]); if (element == Avogadro::InvalidElement) { appendError("Invalid element encountered: " + parts[1]); return; } Vector3 p; for (int i = 0; i < 3; ++i) { bool ok = false; p[i] = Core::lexicalCast(parts[i + 3], ok); if (!ok) { appendError("Couldn't convert coordinate component to double: " + parts[i + 3]); return; } } Core::Atom a = mol.addAtom(element); a.setPosition3d(p); } } void NWChemLog::readFrequencies(const std::string& firstLine, std::istream& in, Core::Molecule&) { string line = firstLine; bool ok = false; vector parts = Core::split(firstLine, ' '); if (parts.size() < 2) return; vector frequencies; for (size_t i = 1; i < parts.size(); ++i) frequencies.push_back(Core::lexicalCast(parts[i], ok)); if (!ok) { appendError("Error reading frequencies: " + firstLine); return; } // Skip the blank line after the frequencies. if (!getline(in, line)) return; if (!getline(in, line)) return; parts = Core::split(line, ' '); if (parts.size() < 2) return; vector> cols; cols.resize(parts.size() - 1); // Main block of numbers. while (parts.size() >= 2) { for (size_t i = 1; i < parts.size(); ++i) { cols[i - 1].push_back(Core::lexicalCast(parts[i], ok)); if (!ok) { appendError("Couldn't convert " + parts[i] + " to double."); return; } } if (!getline(in, line)) return; parts = Core::split(line, ' '); } for (size_t i = 0; i < frequencies.size(); ++i) { m_frequencies.push_back(frequencies[i]); Core::Array Lx; for (size_t j = 0; j < cols[i].size(); j += 3) { Lx.push_back(Vector3(cols[i][j + 0], cols[i][j + 1], cols[i][j + 2])); } m_Lx.push_back(Lx); } } void NWChemLog::readIntensities(std::istream& in, Core::Molecule&) { string line; bool ok = false; // Skip the next two lines, headers, blanks... for (int i = 0; i < 2; ++i) if (!getline(in, line)) return; while (true) { if (!getline(in, line)) return; vector parts = Core::split(line, ' '); // Keep going until the expected number of components is not seen. if (parts.size() != 7) break; m_intensities.push_back(Core::lexicalCast(parts[5], ok)); if (!ok) { appendError("Couldn't convert " + parts[5] + " to double."); return; } } } } avogadrolibs-1.100.0/avogadro/quantumio/nwchemlog.h000066400000000000000000000040701474375334400223240ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QUANTUMIO_NWCHEMLOG_H #define AVOGADRO_QUANTUMIO_NWCHEMLOG_H #include "avogadroquantumioexport.h" #include #include #include #include namespace Avogadro { namespace QuantumIO { class AVOGADROQUANTUMIO_EXPORT NWChemLog : public Io::FileFormat { public: NWChemLog(); ~NWChemLog() override; void outputAll(); Operations supportedOperations() const override { return Read | File | Stream | String; } FileFormat* newInstance() const override { return new NWChemLog; } std::string identifier() const override { return "Avogadro: NWChem"; } std::string name() const override { return "NWChem Log"; } std::string description() const override { return "NWChem log file format."; } std::string specificationUrl() const override { return ""; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& in, Core::Molecule& molecule) override; bool write(std::ostream&, const Core::Molecule&) override { // Empty, as we do not write out NWChem log files. return false; } private: void processLine(std::istream& in, Core::Molecule& mol); // Read the atoms, and their geometry. void readAtoms(std::istream& in, Core::Molecule& mol); // Read the projected frequencies. void readFrequencies(const std::string& line, std::istream& in, Core::Molecule& mol); // Read the projected frequency intensities. void readIntensities(std::istream& in, Core::Molecule& mol); Core::Array m_frequencies; Core::Array m_intensities; Core::Array> m_Lx; }; } // End namespace QuantumIO } // End namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/quantumio/orca.cpp000066400000000000000000001133461474375334400216270ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "orca.h" #include #include #include #include #include #include using std::regex; using std::string; using std::vector; namespace Avogadro::QuantumIO { using Core::Array; using Core::Atom; using Core::GaussianSet; ORCAOutput::ORCAOutput() {} ORCAOutput::~ORCAOutput() {} std::vector ORCAOutput::fileExtensions() const { std::vector extensions; extensions.emplace_back("orca"); return extensions; } std::vector ORCAOutput::mimeTypes() const { return std::vector(); } bool ORCAOutput::read(std::istream& in, Core::Molecule& molecule) { // Read the log file line by line auto* basis = new GaussianSet; while (!in.eof()) processLine(in, basis); // Set up the molecule int nAtom = 0; for (unsigned int i = 0; i < m_atomNums.size(); i++) { Vector3 pos = m_atomPos[i] * BOHR_TO_ANGSTROM; molecule.addAtom(static_cast(m_atomNums[nAtom++]), pos); } if (0 == molecule.atomCount()) { appendError("Could not find any atomic coordinates! Are you sure this is " "an ORCA output file?"); return false; } // this should be the final coordinate set (e.g. the optimized geometry) molecule.setCoordinate3d(molecule.atomPositions3d(), 0); if (m_coordSets.size() > 1) { for (unsigned int i = 0; i < m_coordSets.size(); i++) { Array positions; positions.reserve(molecule.atomCount()); for (size_t j = 0; j < molecule.atomCount(); ++j) { positions.push_back(m_coordSets[i][j] * BOHR_TO_ANGSTROM); } molecule.setCoordinate3d(positions, i + 1); } } // guess bonds and bond orders molecule.perceiveBondsSimple(); molecule.perceiveBondOrders(); if (m_frequencies.size() > 0 && m_frequencies.size() == m_vibDisplacements.size() && m_frequencies.size() == m_IRintensities.size()) { molecule.setVibrationFrequencies(m_frequencies); molecule.setVibrationIRIntensities(m_IRintensities); molecule.setVibrationLx(m_vibDisplacements); if (m_RamanIntensities.size()) molecule.setVibrationRamanIntensities(m_RamanIntensities); } if (m_electronicTransitions.size() > 0 && m_electronicTransitions.size() == m_electronicIntensities.size()) { MatrixX electronicData(m_electronicTransitions.size(), 2); for (size_t i = 0; i < m_electronicTransitions.size(); ++i) { electronicData(i, 0) = m_electronicTransitions[i]; electronicData(i, 1) = m_electronicIntensities[i]; } molecule.setSpectra("Electronic", electronicData); if (m_electronicRotations.size() == m_electronicTransitions.size()) { MatrixX electronicRotations(m_electronicTransitions.size(), 2); for (size_t i = 0; i < m_electronicTransitions.size(); ++i) { electronicRotations(i, 0) = m_electronicTransitions[i]; electronicRotations(i, 1) = m_electronicRotations[i]; } molecule.setSpectra("CircularDichroism", electronicRotations); } } if (m_nmrShifts.size() > 0) { MatrixX nmrData(m_nmrShifts.size(), 2); // nmr_shifts has an entry for every atom even if not computed for (size_t i = 0; i < m_nmrShifts.size(); ++i) { nmrData(i, 0) = m_nmrShifts[i]; nmrData(i, 1) = 1.0; } molecule.setSpectra("NMR", nmrData); } // check bonds from calculated bond orders if (m_bondOrders.size() > 0) { for (unsigned int i = 0; i < m_bondOrders.size(); i++) { // m_bondOrders[i][0] is the first atom // m_bondOrders[i][1] is the second atom // m_bondOrders[i][2] is the bond order if (m_bondOrders[i].size() > 2) { auto bond = molecule.bond(m_bondOrders[i][0], m_bondOrders[i][1]); if (bond.isValid() && bond.order() != m_bondOrders[i][2]) { // if the bond order is different, change it bond.setOrder(static_cast(m_bondOrders[i][2])); } } } } molecule.setBasisSet(basis); basis->setMolecule(&molecule); load(basis); // we have to do a few things *after* any modifications to bonds / atoms // because those automatically clear partial charges and data // add the partial charges if (m_partialCharges.size() > 0) { for (auto it = m_partialCharges.begin(); it != m_partialCharges.end(); ++it) { molecule.setPartialCharges(it->first, it->second); } } molecule.setData("totalCharge", m_charge); molecule.setData("totalSpinMultiplicity", m_spin); molecule.setData("dipoleMoment", m_dipoleMoment); molecule.setData("totalEnergy", m_totalEnergy); if (m_energies.size() > 1) molecule.setData("energies", m_energies); return true; } void ORCAOutput::processLine(std::istream& in, GaussianSet* basis) { // First truncate the line, remove trailing white space and check string line; if (!getline(in, line) || Core::trimmed(line).empty()) return; string key = Core::trimmed(line); vector list; int nGTOs = 0; float vibScaling = 1.0f; if (Core::contains(key, "CARTESIAN COORDINATES (A.U.)")) { m_coordFactor = 1.; // leave the coords in BOHR .... m_currentMode = Atoms; // if there are any current coordinates, push them back if (m_atomPos.size() > 0) { m_coordSets.push_back(m_atomPos); } m_atomPos.clear(); m_atomNums.clear(); m_atomLabel.clear(); getline(in, key); // skip ----- line getline(in, key); // column titles } else if (Core::contains(key, "BASIS SET INFORMATION")) { if (!Core::contains(key, "AUXILIARY")) { // skip auxiliary basis set infos m_currentMode = GTO; getline(in, key); // skip ----- line // Number of groups of distinct atoms getline(in, key); list = Core::split(key, ' '); if (list.size() > 3) { m_nGroups = Core::lexicalCast(list[2]); } else { return; } getline(in, key); // skip blank line for (int i = 0; i < m_nGroups; ++i) { getline(in, key); // skip group information } getline(in, key); // skip blank line for (unsigned int i = 0; i < m_atomNums.size(); ++i) { getline(in, key); // skip group information } // now skip // blank line // ---------------------------- // # Basis set for element : x // ---------------------------- // blank line for (unsigned int i = 0; i < 6; ++i) { getline(in, key); } } } else if (Core::contains(key, "Total Charge")) { list = Core::split(key, ' '); if (list.size() > 4) m_charge = Core::lexicalCast(list[4]); } else if (Core::contains(key, "Multiplicity")) { list = Core::split(key, ' '); if (list.size() > 3) m_spin = Core::lexicalCast(list[3]); } else if (Core::contains(key, "FINAL SINGLE POINT ENERGY")) { list = Core::split(key, ' '); if (list.size() > 4) m_totalEnergy = Core::lexicalCast(list[4]); m_energies.push_back(m_totalEnergy); } else if (Core::contains(key, "TOTAL NUMBER OF BASIS SET")) { m_currentMode = NotParsing; // no longer reading GTOs } else if (Core::contains(key, "NUMBER OF CARTESIAN GAUSSIAN BASIS")) { m_currentMode = NotParsing; // no longer reading GTOs } else if (Core::contains(key, "Number of Electrons")) { list = Core::split(key, ' '); m_electrons = Core::lexicalCast(list[5]); } else if (Core::contains(key, "Total Dipole Moment")) { list = Core::split(key, ' '); m_dipoleMoment = Eigen::Vector3d(Core::lexicalCast(list[4]), Core::lexicalCast(list[5]), Core::lexicalCast(list[6])); // convert from atomic units to Debye // e.g. https://en.wikipedia.org/wiki/Debye m_dipoleMoment *= 2.54174628; } else if (Core::contains(key, "Mayer bond orders")) { m_currentMode = BondOrders; // starts at the next line } else if (Core::contains( key, "ABSORPTION SPECTRUM VIA TRANSITION ELECTRIC DIPOLE MOMENTS")) { m_currentMode = Electronic; for (int i = 0; i < 4; ++i) { getline(in, key); // skip header } // starts at the next line } else if (Core::contains(key, "CD SPECTRUM") && !Core::contains(key, "TRANSITION VELOCITY DIPOLE")) { m_currentMode = ECD; for (int i = 0; i < 4; ++i) { getline(in, key); // skip header } } else if (Core::contains(key, "ORBITAL ENERGIES")) { m_currentMode = OrbitalEnergies; getline(in, key); // skip ------------ getline(in, key); // check if SPIN UP ORBITALS are present if (Core::contains(key, "SPIN UP ORBITALS")) { m_openShell = true; m_readBeta = false; } else { m_openShell = false; m_readBeta = false; } getline(in, key); // skip column titles } else if (Core::contains(key, "SPIN DOWN ORBITALS")) { m_currentMode = OrbitalEnergies; m_openShell = true; m_readBeta = true; getline(in, key); // skip column headers } else if (Core::contains(key, "MOLECULAR ORBITALS")) { m_currentMode = MO; getline(in, key); //------------ } else if (Core::contains(key, "HIRSHFELD ANALYSIS")) { m_currentMode = HirshfeldCharges; m_chargeType = "Hirshfeld"; for (unsigned int i = 0; i < 6; ++i) { getline(in, key); // skip header } } else if (Core::contains(key, "MBIS ANALYSIS")) { // MBIS analysis is similar to Hirshfeld, but with different headers m_currentMode = HirshfeldCharges; m_chargeType = "MBIS"; for (unsigned int i = 0; i < 9; ++i) { getline(in, key); // skip header } } else if (Core::contains(key, "CHELPG Charges")) { // similar to standard charges m_currentMode = Charges; m_chargeType = "CHELPG"; getline(in, key); // skip ------------ } else if (Core::contains(key, "ATOMIC CHARGES")) { m_currentMode = Charges; // figure out what type of charges we have list = Core::split(key, ' '); if (list.size() > 2) { m_chargeType = Core::trimmed(list[0]); // e.g. MULLIKEN or LOEWDIN } // lowercase everything except the first letter for (unsigned int i = 1; i < m_chargeType.size(); ++i) { m_chargeType[i] = tolower(m_chargeType[i]); } getline(in, key); // skip ------------ } else if (Core::contains(key, "VIBRATIONAL FREQUENCIES")) { m_currentMode = Frequencies; getline(in, key); // skip ------------ getline(in, key); // skip blank line getline(in, key); // scaling factor // Scaling factor for frequencies = 1.000000000 list = Core::split(key, ' '); if (list.size() > 6) vibScaling = Core::lexicalCast(list[5]); getline(in, key); // skip blank line } else if (Core::contains(key, "NORMAL MODES")) { m_currentMode = VibrationalModes; getline(in, key); // skip ------------ getline(in, key); // skip blank line getline(in, key); // skip comment getline(in, key); // skip more comments getline(in, key); // skip even more comment getline(in, key); // skip blank line } else if (Core::contains(key, "IR SPECTRUM")) { m_currentMode = IR; getline(in, key); // skip ------------ getline(in, key); // skip blank line getline(in, key); // skip column titles getline(in, key); // skip more column titles getline(in, key); // skip ------------ } else if (Core::contains(key, "RAMAN SPECTRUM")) { m_currentMode = Raman; getline(in, key); // skip ------------ getline(in, key); // skip blank line getline(in, key); // skip column titles getline(in, key); // skip ------------ } else if (Core::contains(key, "CHEMICAL SHIELDING SUMMARY (ppm)")) { m_currentMode = NMR; for (int i = 0; i < 4; ++i) { getline(in, key); // skip header } } else { vector> columns; unsigned int numColumns, numRows; numColumns = 0; numRows = 0; // parsing a line -- what mode are we in? switch (m_currentMode) { case Atoms: { if (key.empty()) break; list = Core::split(key, ' '); while (!key.empty()) { if (list.size() < 8) { break; } Eigen::Vector3d pos( Core::lexicalCast(list[5]) * m_coordFactor, Core::lexicalCast(list[6]) * m_coordFactor, Core::lexicalCast(list[7]) * m_coordFactor); unsigned char atomicNum = Core::Elements::atomicNumberFromSymbol(Core::trimmed(list[1])); m_atomNums.push_back(atomicNum); m_atomPos.push_back(pos); m_atomLabel.push_back(Core::trimmed(list[1])); getline(in, key); key = Core::trimmed(key); list = Core::split(key, ' '); } m_currentMode = NotParsing; break; } case HirshfeldCharges: { // should start at the first atom if (key.empty()) break; Eigen::MatrixXd charges(m_atomNums.size(), 1); charges.setZero(); list = Core::split(key, ' '); while (!key.empty()) { if (list.size() < 4) { break; } // e.g. index atom charge spin // e.g. 0 O -0.714286 0.000 int atomIndex = Core::lexicalCast(list[0]); double charge = Core::lexicalCast(list[2]); charges(atomIndex, 0) = charge; getline(in, key); key = Core::trimmed(key); list = Core::split(key, ' '); } m_partialCharges[m_chargeType] = charges; m_currentMode = NotParsing; break; } case Charges: { // should start at the first atom if (key.empty()) break; Eigen::MatrixXd charges(m_atomNums.size(), 1); charges.setZero(); list = Core::split(key, ' '); while (!key.empty()) { if (list.size() != 4) { break; } // e.g. 0 O : -0.714286 int atomIndex = Core::lexicalCast(list[0]); double charge = Core::lexicalCast(list[3]); charges(atomIndex, 0) = charge; getline(in, key); key = Core::trimmed(key); list = Core::split(key, ' '); } m_partialCharges[m_chargeType] = charges; m_currentMode = NotParsing; break; } case BondOrders: { if (key.empty()) break; m_bondOrders.clear(); while (key[0] == 'B') { // @todo .. parse the bonds based on character position // e.g. B( 0-Ru, 1-C ) : 0.4881 B( 0-Ru, 4-C ) : 0.6050 Index firstAtom = Core::lexicalCast(key.substr(2, 3)); Index secondAtom = Core::lexicalCast(key.substr(9, 3)); double bondOrder = Core::lexicalCast(key.substr(18, 9)); if (bondOrder > 1.6) { std::vector bond; bond.push_back(firstAtom); bond.push_back(secondAtom); bond.push_back(static_cast(std::round(bondOrder))); m_bondOrders.push_back(bond); } if (key.size() > 54 && key[28] == 'B') { firstAtom = Core::lexicalCast(key.substr(30, 3)); secondAtom = Core::lexicalCast(key.substr(37, 3)); bondOrder = Core::lexicalCast(key.substr(46, 9)); if (bondOrder > 1.6) { std::vector bond; bond.push_back(firstAtom); bond.push_back(secondAtom); bond.push_back(static_cast(std::round(bondOrder))); m_bondOrders.push_back(bond); } } if (key.size() > 82 && key[56] == 'B') { firstAtom = Core::lexicalCast(key.substr(58, 3)); secondAtom = Core::lexicalCast(key.substr(65, 3)); bondOrder = Core::lexicalCast(key.substr(74, 9)); if (bondOrder > 1.6) { std::vector bond; bond.push_back(firstAtom); bond.push_back(secondAtom); bond.push_back(static_cast(std::round(bondOrder))); m_bondOrders.push_back(bond); } } getline(in, key); key = Core::trimmed(key); } m_currentMode = NotParsing; } case OrbitalEnergies: { if (key.empty()) break; // should start at the first orbital if (!m_readBeta) m_orbitalEnergy.clear(); else m_betaOrbitalEnergy.clear(); list = Core::split(key, ' '); while (!key.empty()) { if (list.size() != 4) { break; } // energy in Hartree in 3rd column in eV in 4th column double energy = Core::lexicalCast(list[3]); if (!m_readBeta) m_orbitalEnergy.push_back(energy); else m_betaOrbitalEnergy.push_back(energy); getline(in, key); key = Core::trimmed(key); list = Core::split(key, ' '); } m_currentMode = NotParsing; break; } case Frequencies: { // should start at the first frequency - include zeros if (key.empty()) break; list = Core::split(key, ' '); while (!key.empty()) { // imaginary frequencies can have an additional comment: // ***imaginary mode*** if (list.size() != 3 && (list.size() != 5 || list[3] != "***imaginary" || list[4] != "mode***")) { break; } // e.g. 0: 0.00 cm**-1 double freq = Core::lexicalCast(list[1]); m_frequencies.push_back(freq); getline(in, key); key = Core::trimmed(key); list = Core::split(key, ' '); } // okay, now set up the normal mode arrays m_vibDisplacements.resize(m_frequencies.size()); m_IRintensities.resize(m_frequencies.size()); // we don't bother with Raman, because that's less common for (unsigned int i = 0; i < m_frequencies.size(); i++) { m_IRintensities[i] = 0.0; m_vibDisplacements[i].resize(m_atomNums.size()); for (unsigned int j = 0; j < m_atomNums.size(); j++) m_vibDisplacements[i].push_back(Eigen::Vector3d()); } m_currentMode = NotParsing; break; } case VibrationalModes: { if (key.empty()) break; list = Core::split(key, ' '); vector modeIndex; bool invalid_index = false; while (!key.empty()) { // first we get a set of column numbers // e.g. 1 2 3 4 5 6 7 8 9 10 modeIndex.clear(); for (const auto& index_str : list) { auto index = Core::lexicalCast(index_str); if (index >= m_frequencies.size()) { invalid_index = true; break; } modeIndex.push_back(index); } // invalid column index if (invalid_index) break; // now we read the displacements .. there should be 3N lines // x,y,z for each atom getline(in, key); key = Core::trimmed(key); list = Core::split(key, ' '); for (unsigned int i = 0; i < 3 * m_atomNums.size(); i++) { unsigned int atomIndex = i / 3; unsigned int coordIndex = i % 3; for (unsigned int j = 0; j < modeIndex.size(); j++) { m_vibDisplacements[modeIndex[j]][atomIndex][coordIndex] = Core::lexicalCast(list[j + 1]); } getline(in, key); key = Core::trimmed(key); list = Core::split(key, ' '); } } m_currentMode = NotParsing; break; } case IR: { if (key.empty()) break; list = Core::split(key, ' '); while (!key.empty()) { // e.g. 6: 1711.76 0.014736 74.47 0.002686 (-0.021704 0.027180 // 0.038427) if (list.size() < 7) { break; } // the first entry might be 5 or 6 because of removed rotations / // translations auto index = Core::lexicalCast(list[0]); // invalid index if (index >= m_frequencies.size()) break; double intensity = Core::lexicalCast(list[3]); m_IRintensities[index] = intensity; getline(in, key); key = Core::trimmed(key); list = Core::split(key, ' '); } m_currentMode = NotParsing; break; } case Raman: { if (key.empty()) break; list = Core::split(key, ' '); while (!key.empty()) { // e.g. 6: 76.62 0.000000 0.465517 if (list.size() != 4) { break; } // the first entry might be 5 or 6 because of removed rotations / // translations auto index = Core::lexicalCast(list[0]); // invalid index if (index >= m_frequencies.size()) break; if (m_RamanIntensities.empty()) { while (m_RamanIntensities.size() < index) { m_RamanIntensities.push_back(0.0); } } // index, frequency, activity, depolarization double activity = Core::lexicalCast(list[2]); m_RamanIntensities.push_back(activity); getline(in, key); key = Core::trimmed(key); list = Core::split(key, ' '); } m_currentMode = NotParsing; break; } case Electronic: { if (key.empty()) break; list = Core::split(key, ' '); double wavenumbers; while (!key.empty()) { // should have 8 columns if (list.size() != 8) { getline(in, key); key = Core::trimmed(key); list = Core::split(key, ' '); continue; // skip any spin-forbidden transitions } wavenumbers = Core::lexicalCast(list[1]); // convert to eV m_electronicTransitions.push_back(wavenumbers / 8065.544); m_electronicIntensities.push_back(Core::lexicalCast(list[3])); getline(in, key); key = Core::trimmed(key); list = Core::split(key, ' '); if (list.size() < 2) break; // hit the blank line } m_currentMode = NotParsing; } case ECD: { if (key.empty()) break; list = Core::split(key, ' '); double wavenumbers; while (!key.empty()) { // should have 7 columns if (list.size() != 7) { getline(in, key); key = Core::trimmed(key); list = Core::split(key, ' '); continue; // skip any spin-forbidden transitions } wavenumbers = Core::lexicalCast(list[1]); // convert to eV // m_electronicTransitions.push_back(wavenumbers / 8065.544); m_electronicRotations.push_back(Core::lexicalCast(list[3])); getline(in, key); key = Core::trimmed(key); list = Core::split(key, ' '); if (list.size() < 2) break; // hit the blank line } m_currentMode = NotParsing; } case NMR: { if (key.empty()) break; list = Core::split(key, ' '); // default to filling m_nmrShifts with zeros m_nmrShifts.resize(m_atomNums.size(), 0.0); while (!key.empty()) { // should have 4 columns if (list.size() != 4) { break; } // e.g. 1 C 0.0000 0.0000 0.0000 0.0000 int atomIndex = Core::lexicalCast(list[0]); double shift = Core::lexicalCast(list[2]); // ignore the anisotropy for now m_nmrShifts[atomIndex] = shift; getline(in, key); key = Core::trimmed(key); list = Core::split(key, ' '); } m_currentMode = NotParsing; break; } case GTO: { // // should start at the first newGTO if (key.empty()) break; nGTOs = 0; list = Core::split(key, ' '); int nShells; // init all vectors etc. m_basisAtomLabel.clear(); m_orcaNumShells.resize(0); m_basisFunctions.resize(0); m_orcaShellTypes.resize(0); m_a.resize(0); m_c.resize(0); m_shellNums.resize(0); m_shellTypes.resize(0); m_shelltoAtom.resize(0); while (Core::trimmed(list[0]) == "NewGTO") { m_basisAtomLabel.push_back(Core::trimmed(list[1])); getline(in, key); key = Core::trimmed(key); list = Core::split(key, ' '); nShells = 0; m_basisFunctions.push_back( new std::vector*>); shellFunctions.resize(0); shellTypes.resize(0); while (Core::trimmed(list[0]) != "end;") { int nFunc = Core::lexicalCast(Core::trimmed(list[1])); shellTypes.push_back(orbitalIdx(Core::trimmed(list[0]))); shellFunctions.push_back(nFunc); m_basisFunctions.at(nGTOs)->push_back( new std::vector(nFunc)); for (int i = 0; i < nFunc; i++) { getline(in, key); key = Core::trimmed(key); list = Core::split(key, ' '); m_basisFunctions.at(nGTOs)->at(nShells)->at(i).x() = Core::lexicalCast(list[1]); // exponent m_basisFunctions.at(nGTOs)->at(nShells)->at(i).y() = Core::lexicalCast(list[2]); // coeff } nShells++; getline(in, key); key = Core::trimmed(key); list = Core::split(key, ' '); } m_orcaShellTypes.push_back( std::vector(shellTypes.size())); m_orcaShellTypes.at(nGTOs) = shellTypes; m_orcaNumShells.push_back(std::vector(shellFunctions.size())); m_orcaNumShells.at(nGTOs) = shellFunctions; nGTOs++; getline(in, key); getline(in, key); getline(in, key); key = Core::trimmed(key); list = Core::split(key, ' '); if (list.size() == 0) break; // unexpected structure - suppose no more NewGTOs } // create input for gaussian basisset int nBasis = nGTOs; int nAtoms = m_atomLabel.size(); m_currentAtom = 0; for (int i = 0; i < nAtoms; i++) { m_currentAtom++; for (int j = 0; j < nBasis; j++) { if (m_atomLabel.at(i) == m_basisAtomLabel.at(j)) { for (unsigned int k = 0; k < m_orcaNumShells.at(j).size(); k++) { for (int l = 0; l < m_orcaNumShells.at(j).at(k); l++) { m_a.push_back(m_basisFunctions.at(j)->at(k)->at(l).x()); m_c.push_back(m_basisFunctions.at(j)->at(k)->at(l).y()); } m_shellNums.push_back(m_orcaNumShells.at(j).at(k)); m_shellTypes.push_back(m_orcaShellTypes.at(j).at(k)); m_shelltoAtom.push_back(m_currentAtom); } break; } } } m_currentMode = NotParsing; break; } case MO: { m_MOcoeffs.clear(); // if the orbitals were punched multiple times m_orbitalEnergy.clear(); // we can get the energies here std::vector orcaOrbitals; while (!Core::trimmed(key).empty()) { // currently reading the sequence number getline(in, key); // energies list = Core::split(key, ' '); // convert these all to double and add to m_orbitalEnergy for (unsigned int i = 0; i < list.size(); i++) { // convert from Hartree to eV m_orbitalEnergy.push_back(Core::lexicalCast(list[i]) * 27.2114); } getline(in, key); // occupations getline(in, key); // skip ----------- getline(in, key); // now we've got coefficients // coefficients are optionally a -, one or two digits, a decimal // point, and then 6 digits or just one or two digits a decimal point // and then 6 digits we can use a regex to split the line regex rx("[-]?[0-9]{1,2}[.][0-9]{6}"); auto key_begin = std::sregex_iterator(key.begin(), key.end(), rx); auto key_end = std::sregex_iterator(); list.clear(); for (std::sregex_iterator i = key_begin; i != key_end; ++i) { list.push_back(i->str()); } numColumns = list.size(); columns.resize(numColumns); while (list.size() > 0) { // get the '2s' or '1dx2y2' piece from the line // so we can re-order the orbitals later std::vector pieces = Core::split(key, ' '); orcaOrbitals.push_back(pieces[1]); for (unsigned int i = 0; i < numColumns; ++i) { columns[i].push_back(Core::lexicalCast(list[i])); } getline(in, key); key_begin = std::sregex_iterator(key.begin(), key.end(), rx); key_end = std::sregex_iterator(); list.clear(); for (std::sregex_iterator i = key_begin; i != key_end; ++i) { list.push_back(i->str()); } if (list.size() != numColumns) break; } // ok, we've finished one batch of MO coeffs // now reorder the p orbitals from "orcaStyle" (pz, px,py) // to expected Avogadro (px,py,pz) int idx = 0; while (idx < orcaOrbitals.size()) { if (Core::contains(orcaOrbitals.at(idx), "pz")) { for (unsigned int i = 0; i < numColumns; i++) { if (idx + 1 >= columns[i].size()) break; std::swap(columns[i].at(idx), columns[i].at(idx + 1)); } idx++; for (unsigned int i = 0; i < numColumns; i++) { if (idx + 1 >= columns[i].size()) break; std::swap(columns[i].at(idx), columns[i].at(idx + 1)); } idx++; idx++; } else { idx++; } } // Now we need to re-order the MO coeffs, so we insert one MO at a // time for (unsigned int i = 0; i < numColumns; ++i) { numRows = columns[i].size(); for (unsigned int j = 0; j < numRows; ++j) { m_MOcoeffs.push_back(columns[i][j]); } } columns.clear(); orcaOrbitals.clear(); } // finished parsing MOs if (m_MOcoeffs.size() != numRows * numRows) { m_orcaSuccess = false; } m_numBasisFunctions = numRows; if (m_openShell) { // TODO: parse both alpha and beta orbitals m_BetaMOcoeffs.clear(); // if the orbitals were punched multiple times m_betaOrbitalEnergy.clear(); // we can get the energies here getline(in, key); while (!Core::trimmed(key).empty()) { // currently reading the sequence number getline(in, key); // energies list = Core::split(key, ' '); // convert these all to double and add to m_orbitalEnergy for (unsigned int i = 0; i < list.size(); i++) { // convert from Hartree to eV m_orbitalEnergy.push_back(Core::lexicalCast(list[i]) * 27.2114); } getline(in, key); // symmetries getline(in, key); // skip ----------- getline(in, key); // now we've got coefficients regex rx("[-]?[0-9]{1,2}[.][0-9]{6}"); auto key_begin = std::sregex_iterator(key.begin(), key.end(), rx); auto key_end = std::sregex_iterator(); list.clear(); for (std::sregex_iterator i = key_begin; i != key_end; ++i) { list.push_back(i->str()); } numColumns = list.size(); columns.resize(numColumns); while (list.size() > 0) { // get the '2s' or '1dx2y2' piece from the line // so we can re-order the orbitals later std::vector pieces = Core::split(key, ' '); orcaOrbitals.push_back(pieces[1]); // columns.resize(numColumns); for (unsigned int i = 0; i < numColumns; ++i) { columns[i].push_back(Core::lexicalCast(list[i])); } auto key_begin = std::sregex_iterator(key.begin(), key.end(), rx); auto key_end = std::sregex_iterator(); list.clear(); for (std::sregex_iterator i = key_begin; i != key_end; ++i) { list.push_back(i->str()); } if (list.size() != numColumns) break; } // ok, we've finished one batch of MO coeffs // now reorder the p orbitals from "orcaStyle" (pz, px,py) to // expected Avogadro (px,py,pz) int idx = 0; while (idx < orcaOrbitals.size()) { if (Core::contains(orcaOrbitals.at(idx), "pz")) { for (unsigned int i = 0; i < numColumns; i++) { if (idx + 1 >= columns[i].size()) break; std::swap(columns[i].at(idx), columns[i].at(idx + 1)); } idx++; for (unsigned int i = 0; i < numColumns; i++) { if (idx + 1 >= columns[i].size()) break; std::swap(columns[i].at(idx), columns[i].at(idx + 1)); } idx++; idx++; } else { idx++; } } // Now we need to re-order the MO coeffs, so we insert one MO at a // time for (unsigned int i = 0; i < numColumns; ++i) { numRows = columns[i].size(); for (unsigned int j = 0; j < numRows; ++j) { m_BetaMOcoeffs.push_back(columns[i][j]); } } columns.clear(); orcaOrbitals.clear(); if (Core::trimmed(key).empty()) getline(in, key); // skip the blank line after the MOs } // finished parsing 2nd. MOs if (m_MOcoeffs.size() != numRows * numRows) { m_orcaSuccess = false; } m_numBasisFunctions = numRows; } m_currentMode = NotParsing; break; } default:; } // end switch } // end if (mode) } void ORCAOutput::load(GaussianSet* basis) { // Now load up our basis set basis->setElectronCount(m_electrons); // Set up the GTO primitive counter, go through the shells and add them int nGTO = 0; int nSP = 0; // number of SP shells for (unsigned int i = 0; i < m_shellTypes.size(); ++i) { // Handle the SP case separately - this should possibly be a distinct type if (m_shellTypes.at(i) == GaussianSet::SP) { // SP orbital type - currently have to unroll into two shells int tmpGTO = nGTO; int s = basis->addBasis(m_shelltoAtom.at(i) - 1, GaussianSet::S); for (int j = 0; j < m_shellNums.at(i); ++j) { basis->addGto(s, m_c.at(nGTO), m_a.at(nGTO)); ++nGTO; } int p = basis->addBasis(m_shelltoAtom.at(i) - 1, GaussianSet::P); for (int j = 0; j < m_shellNums.at(i); ++j) { basis->addGto(p, m_csp.at(nSP), m_a.at(tmpGTO)); ++tmpGTO; ++nSP; } } else { int b = basis->addBasis(m_shelltoAtom.at(i) - 1, m_shellTypes.at(i)); for (int j = 0; j < m_shellNums.at(i); ++j) { basis->addGto(b, m_c.at(nGTO), m_a.at(nGTO)); ++nGTO; } } } // Now to load in the MO coefficients if (m_MOcoeffs.size()) basis->setMolecularOrbitals(m_MOcoeffs); if (m_BetaMOcoeffs.size()) basis->setMolecularOrbitals(m_BetaMOcoeffs, Core::BasisSet::Beta); if (m_orbitalEnergy.size()) basis->setMolecularOrbitalEnergy(m_orbitalEnergy); if (m_betaOrbitalEnergy.size()) basis->setMolecularOrbitalEnergy(m_betaOrbitalEnergy, Core::BasisSet::Beta); // TODO: set orbital symmetries m_homo = ceil(m_electrons / 2.0); basis->generateDensityMatrix(); } GaussianSet::orbital ORCAOutput::orbitalIdx(std::string txt) { if (txt == "S") return GaussianSet::S; if (txt == "SP") return GaussianSet::SP; if (txt == "P") return GaussianSet::P; if (txt == "D") return GaussianSet::D5; //// orca only uses Spherical - 5 d components if (txt == "D5") return GaussianSet::D5; if (txt == "F") return GaussianSet::F7; //// orca only uses Spherical - 7 f components if (txt == "F7") return GaussianSet::F7; if (txt == "G") return GaussianSet::G9; //// orca only uses Spherical - 9 g components if (txt == "G9") return GaussianSet::G9; if (txt == "H") return GaussianSet::H11; //// orca only uses Spherical - 11 h /// components if (txt == "H11") return GaussianSet::H11; if (txt == "I") return GaussianSet::I13; //// orca only uses Spherical - 13 i /// components if (txt == "I13") return GaussianSet::I13; return GaussianSet::UU; } } // namespace Avogadro::QuantumIO avogadrolibs-1.100.0/avogadro/quantumio/orca.h000066400000000000000000000073061474375334400212720ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_QUANTUMIO_ORCA_H #define AVOGADRO_QUANTUMIO_ORCA_H #include "avogadroquantumioexport.h" #include #include #include #include #include namespace Avogadro { namespace QuantumIO { class AVOGADROQUANTUMIO_EXPORT ORCAOutput : public Io::FileFormat { public: ORCAOutput(); ~ORCAOutput() override; Operations supportedOperations() const override { return Read | File | Stream | String; } FileFormat* newInstance() const override { return new ORCAOutput; } std::string identifier() const override { return "Avogadro: Orca"; } std::string name() const override { return "Orca"; } std::string description() const override { return "Orca output format."; } std::string specificationUrl() const override { return ""; } std::vector fileExtensions() const override; std::vector mimeTypes() const override; bool read(std::istream& in, Core::Molecule& molecule) override; bool write(std::ostream&, const Core::Molecule&) override { // Empty, as we do not write out Orca output files. return false; } private: void outputAll(); void processLine(std::istream& in, Core::GaussianSet* basis); void load(Core::GaussianSet* basis); // OrcaStuff void orcaWarningMessage(const std::string& m); Core::GaussianSet::orbital orbitalIdx(std::string txt); bool m_orcaSuccess; std::vector m_atomLabel; std::vector m_basisAtomLabel; std::vector m_atomNums; std::vector m_atomPos; std::vector> m_coordSets; std::vector m_energies; Vector3 m_dipoleMoment; std::vector> m_bondOrders; std::vector shellFunctions; std::vector shellTypes; std::vector> m_orcaNumShells; std::vector> m_orcaShellTypes; int m_nGroups; std::vector*>*> m_basisFunctions; enum mode { Atoms, GTO, MO, OrbitalEnergies, Charges, HirshfeldCharges, Frequencies, VibrationalModes, IR, Raman, Electronic, ECD, // electronic circular dichroism NMR, BondOrders, NotParsing, Unrecognized }; double m_coordFactor; mode m_currentMode; int m_electrons; bool m_openShell; bool m_readBeta; int m_homo; int m_charge; int m_spin; double m_totalEnergy; int m_currentAtom; unsigned int m_numBasisFunctions; std::vector m_shellTypes; std::vector m_shellNums; std::vector m_shelltoAtom; std::vector m_a; std::vector m_c; std::vector m_csp; std::vector m_orbitalEnergy; std::vector m_MOcoeffs; std::vector m_betaOrbitalEnergy; std::vector m_BetaMOcoeffs; std::string m_chargeType; std::map m_partialCharges; Core::Array m_frequencies; Core::Array m_IRintensities; Core::Array m_RamanIntensities; Core::Array> m_vibDisplacements; Core::Array m_electronicTransitions; // in eV Core::Array m_electronicIntensities; Core::Array m_electronicRotations; // for CD Core::Array m_nmrShifts; // for NMR (in ppm) }; } // namespace QuantumIO } // namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/rendering/000077500000000000000000000000001474375334400201225ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/rendering/CMakeLists.txt000066400000000000000000000060101474375334400226570ustar00rootroot00000000000000find_package(OpenGL REQUIRED) find_package(GLEW REQUIRED) if(WIN32 AND NOT BUILD_SHARED_LIBS) add_definitions(-DGLEW_STATIC) endif() add_library(Rendering) avogadro_headers(Rendering arcsector.h arcstrip.h arrowgeometry.h avogadrogl.h avogadrorendering.h beziergeometry.h bsplinegeometry.h bufferobject.h camera.h cartoongeometry.h curvegeometry.h cylindergeometry.h dashedlinegeometry.h drawable.h geometrynode.h geometryvisitor.h groupnode.h glrenderer.h glrendervisitor.h linestripgeometry.h meshgeometry.h node.h plyvisitor.h povrayvisitor.h primitive.h quad.h quadoutline.h scene.h shader.h shaderprogram.h solidpipeline.h spheregeometry.h textlabel2d.h textlabel3d.h textlabelbase.h textproperties.h textrenderstrategy.h texture2d.h transformnode.h visitor.h volumegeometry.h vrmlvisitor.h ) target_sources(Rendering PRIVATE arcsector.cpp arcstrip.cpp arrowgeometry.cpp beziergeometry.cpp bufferobject.cpp bsplinegeometry.cpp cartoongeometry.cpp camera.cpp curvegeometry.cpp cylindergeometry.cpp dashedlinegeometry.cpp drawable.cpp geometrynode.cpp geometryvisitor.cpp groupnode.cpp glrenderer.cpp glrendervisitor.cpp linestripgeometry.cpp meshgeometry.cpp node.cpp plyvisitor.cpp povrayvisitor.cpp quad.cpp quadoutline.cpp scene.cpp shader.cpp shaderprogram.cpp solidpipeline.cpp spheregeometry.cpp textlabel2d.cpp textlabel3d.cpp textlabelbase.cpp textproperties.cpp textrenderstrategy.cpp texture2d.cpp transformnode.cpp visitor.cpp volumegeometry.cpp vrmlvisitor.cpp ambientocclusionspheregeometry.cpp ) set(shader_files "arrow_vs.glsl" "cylinders_fs.glsl" "cylinders_vs.glsl" "dashedline_fs.glsl" "dashedline_vs.glsl" "linestrip_fs.glsl" "linestrip_vs.glsl" "mesh_fs.glsl" "mesh_opaque_fs.glsl" "mesh_vs.glsl" "solid_vs.glsl" "solid_first_fs.glsl" "spheres_fs.glsl" "spheres_vs.glsl" "sphere_ao_depth_vs.glsl" "sphere_ao_depth_fs.glsl" "sphere_ao_bake_vs.glsl" "sphere_ao_bake_fs.glsl" "sphere_ao_render_vs.glsl" "sphere_ao_render_fs.glsl" "textlabelbase_fs.glsl" "textlabelbase_vs.glsl" ) foreach(file ${shader_files}) get_filename_component(file_we ${file} NAME_WE) set(src ${CMAKE_CURRENT_SOURCE_DIR}/${file}) set(resh ${CMAKE_CURRENT_BINARY_DIR}/${file_we}.h) list(APPEND shader_h_files ${resh}) add_custom_command( OUTPUT ${resh} DEPENDS ${src} encodefile COMMAND encodefile ARGS ${src} ${resh} ${file_we} COMMENT "Encoding ${src}" ) endforeach() target_sources(Rendering PRIVATE FILE_SET shaders TYPE HEADERS BASE_DIRS ${CMAKE_CURRENT_BINARY_DIR} FILES ${shader_h_files}) avogadro_add_library(Rendering) target_link_libraries(Rendering PUBLIC Avogadro::Headers PRIVATE Avogadro::Core # Needed for an emum in residue.h that we should move, maybe others. GLEW::GLEW OpenGL::GL) if(USE_3DCONNEXION AND (WIN32 OR APPLE)) target_compile_definitions(Rendering PUBLIC _3DCONNEXION) endif() avogadrolibs-1.100.0/avogadro/rendering/ambientocclusionspheregeometry.cpp000066400000000000000000001104121474375334400271460ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "ambientocclusionspheregeometry.h" #include "camera.h" #include "scene.h" #include "bufferobject.h" #include "shader.h" #include "shaderprogram.h" #include "visitor.h" namespace { #include "sphere_ao_bake_fs.h" #include "sphere_ao_bake_vs.h" #include "sphere_ao_depth_fs.h" #include "sphere_ao_depth_vs.h" #include "sphere_ao_render_fs.h" #include "sphere_ao_render_vs.h" const int num_ao_points = 162; const float ao_points[] = { 0.850650808352f, 0.525731112119f, 0.0f, -0.850650808352f, 0.525731112119f, 0.0f, 0.850650808352f, -0.525731112119f, 0.0f, -0.850650808352f, -0.525731112119f, 0.0f, 0.525731112119f, 0.0f, 0.850650808352f, 0.525731112119f, 0.0f, -0.850650808352f, -0.525731112119f, 0.0f, 0.850650808352f, -0.525731112119f, 0.0f, -0.850650808352f, 0.0f, 0.850650808352f, 0.525731112119f, 0.0f, -0.850650808352f, 0.525731112119f, 0.0f, 0.850650808352f, -0.525731112119f, 0.0f, -0.850650808352f, -0.525731112119f, 0.5f, 0.809016994375f, 0.309016994375f, 0.309016994375f, 0.5f, 0.809016994375f, 0.809016994375f, 0.309016994375f, 0.5f, 0.809016994375f, 0.309016994375f, -0.5f, 0.309016994375f, 0.5f, -0.809016994375f, 0.5f, 0.809016994375f, -0.309016994375f, 0.809016994375f, -0.309016994375f, 0.5f, 0.309016994375f, -0.5f, 0.809016994375f, 0.5f, -0.809016994375f, 0.309016994375f, 0.5f, -0.809016994375f, -0.309016994375f, 0.309016994375f, -0.5f, -0.809016994375f, 0.809016994375f, -0.309016994375f, -0.5f, -0.809016994375f, 0.309016994375f, 0.5f, -0.309016994375f, 0.5f, 0.809016994375f, -0.5f, 0.809016994375f, 0.309016994375f, -0.5f, 0.809016994375f, -0.309016994375f, -0.309016994375f, 0.5f, -0.809016994375f, -0.809016994375f, 0.309016994375f, -0.5f, -0.5f, -0.809016994375f, 0.309016994375f, -0.309016994375f, -0.5f, 0.809016994375f, -0.809016994375f, -0.309016994375f, 0.5f, -0.809016994375f, -0.309016994375f, -0.5f, -0.309016994375f, -0.5f, -0.809016994375f, -0.5f, -0.809016994375f, -0.309016994375f, 0.0f, 1.0f, 0.0f, 0.0f, -1.0f, 0.0f, 1.0f, 0.0f, 0.0f, -1.0f, 0.0f, 0.0f, 0.0f, 0.0f, 1.0f, 0.0f, 0.0f, -1.0f, 0.702046444776f, 0.69378047756f, 0.16062203564f, 0.688190960236f, 0.587785252292f, 0.425325404176f, 0.862668480416f, 0.433888564553f, 0.259891913008f, 0.16062203564f, 0.702046444776f, 0.69378047756f, 0.425325404176f, 0.688190960236f, 0.587785252292f, 0.259891913008f, 0.862668480416f, 0.433888564553f, 0.69378047756f, 0.16062203564f, 0.702046444776f, 0.587785252292f, 0.425325404176f, 0.688190960236f, 0.433888564553f, 0.259891913008f, 0.862668480416f, 0.862668480416f, 0.433888564553f, -0.259891913008f, 0.688190960236f, 0.587785252292f, -0.425325404176f, 0.702046444776f, 0.69378047756f, -0.16062203564f, 0.433888564553f, 0.259891913008f, -0.862668480416f, 0.587785252292f, 0.425325404176f, -0.688190960236f, 0.69378047756f, 0.16062203564f, -0.702046444776f, 0.259891913008f, 0.862668480416f, -0.433888564553f, 0.425325404176f, 0.688190960236f, -0.587785252292f, 0.16062203564f, 0.702046444776f, -0.69378047756f, 0.862668480416f, -0.433888564553f, 0.259891913008f, 0.688190960236f, -0.587785252292f, 0.425325404176f, 0.702046444776f, -0.69378047756f, 0.16062203564f, 0.433888564553f, -0.259891913008f, 0.862668480416f, 0.587785252292f, -0.425325404176f, 0.688190960236f, 0.69378047756f, -0.16062203564f, 0.702046444776f, 0.259891913008f, -0.862668480416f, 0.433888564553f, 0.425325404176f, -0.688190960236f, 0.587785252292f, 0.16062203564f, -0.702046444776f, 0.69378047756f, 0.702046444776f, -0.69378047756f, -0.16062203564f, 0.688190960236f, -0.587785252292f, -0.425325404176f, 0.862668480416f, -0.433888564553f, -0.259891913008f, 0.16062203564f, -0.702046444776f, -0.69378047756f, 0.425325404176f, -0.688190960236f, -0.587785252292f, 0.259891913008f, -0.862668480416f, -0.433888564553f, 0.69378047756f, -0.16062203564f, -0.702046444776f, 0.587785252292f, -0.425325404176f, -0.688190960236f, 0.433888564553f, -0.259891913008f, -0.862668480416f, -0.862668480416f, 0.433888564553f, 0.259891913008f, -0.688190960236f, 0.587785252292f, 0.425325404176f, -0.702046444776f, 0.69378047756f, 0.16062203564f, -0.433888564553f, 0.259891913008f, 0.862668480416f, -0.587785252292f, 0.425325404176f, 0.688190960236f, -0.69378047756f, 0.16062203564f, 0.702046444776f, -0.259891913008f, 0.862668480416f, 0.433888564553f, -0.425325404176f, 0.688190960236f, 0.587785252292f, -0.16062203564f, 0.702046444776f, 0.69378047756f, -0.702046444776f, 0.69378047756f, -0.16062203564f, -0.688190960236f, 0.587785252292f, -0.425325404176f, -0.862668480416f, 0.433888564553f, -0.259891913008f, -0.16062203564f, 0.702046444776f, -0.69378047756f, -0.425325404176f, 0.688190960236f, -0.587785252292f, -0.259891913008f, 0.862668480416f, -0.433888564553f, -0.69378047756f, 0.16062203564f, -0.702046444776f, -0.587785252292f, 0.425325404176f, -0.688190960236f, -0.433888564553f, 0.259891913008f, -0.862668480416f, -0.702046444776f, -0.69378047756f, 0.16062203564f, -0.688190960236f, -0.587785252292f, 0.425325404176f, -0.862668480416f, -0.433888564553f, 0.259891913008f, -0.16062203564f, -0.702046444776f, 0.69378047756f, -0.425325404176f, -0.688190960236f, 0.587785252292f, -0.259891913008f, -0.862668480416f, 0.433888564553f, -0.69378047756f, -0.16062203564f, 0.702046444776f, -0.587785252292f, -0.425325404176f, 0.688190960236f, -0.433888564553f, -0.259891913008f, 0.862668480416f, -0.862668480416f, -0.433888564553f, -0.259891913008f, -0.688190960236f, -0.587785252292f, -0.425325404176f, -0.702046444776f, -0.69378047756f, -0.16062203564f, -0.433888564553f, -0.259891913008f, -0.862668480416f, -0.587785252292f, -0.425325404176f, -0.688190960236f, -0.69378047756f, -0.16062203564f, -0.702046444776f, -0.259891913008f, -0.862668480416f, -0.433888564553f, -0.425325404176f, -0.688190960236f, -0.587785252292f, -0.16062203564f, -0.702046444776f, -0.69378047756f, 0.525731112119f, 0.850650808352f, 0.0f, 0.0f, 0.961938357784f, -0.273266528913f, 0.26286555606f, 0.951056516295f, -0.162459848116f, 0.26286555606f, 0.951056516295f, 0.162459848116f, 0.0f, 0.961938357784f, 0.273266528913f, -0.525731112119f, 0.850650808352f, 0.0f, -0.26286555606f, 0.951056516295f, 0.162459848116f, -0.26286555606f, 0.951056516295f, -0.162459848116f, 0.525731112119f, -0.850650808352f, 0.0f, 0.0f, -0.961938357784f, 0.273266528913f, 0.26286555606f, -0.951056516295f, 0.162459848116f, 0.26286555606f, -0.951056516295f, -0.162459848116f, 0.0f, -0.961938357784f, -0.273266528913f, -0.525731112119f, -0.850650808352f, 0.0f, -0.26286555606f, -0.951056516295f, 0.162459848116f, -0.26286555606f, -0.951056516295f, -0.162459848116f, 0.850650808352f, 0.0f, 0.525731112119f, 0.961938357784f, -0.273266528913f, 0.0f, 0.951056516295f, -0.162459848116f, 0.26286555606f, 0.951056516295f, 0.162459848116f, 0.26286555606f, 0.961938357784f, 0.273266528913f, 0.0f, 0.850650808352f, 0.0f, -0.525731112119f, 0.951056516295f, 0.162459848116f, -0.26286555606f, 0.951056516295f, -0.162459848116f, -0.26286555606f, -0.850650808352f, 0.0f, 0.525731112119f, -0.961938357784f, 0.273266528913f, 0.0f, -0.951056516295f, 0.162459848116f, 0.26286555606f, -0.951056516295f, -0.162459848116f, 0.26286555606f, -0.961938357784f, -0.273266528913f, 0.0f, -0.850650808352f, 0.0f, -0.525731112119f, -0.951056516295f, -0.162459848116f, -0.26286555606f, -0.951056516295f, 0.162459848116f, -0.26286555606f, 0.0f, 0.525731112119f, 0.850650808352f, -0.273266528913f, 0.0f, 0.961938357784f, -0.162459848116f, 0.26286555606f, 0.951056516295f, 0.162459848116f, 0.26286555606f, 0.951056516295f, 0.273266528913f, 0.0f, 0.961938357784f, 0.0f, -0.525731112119f, 0.850650808352f, 0.162459848116f, -0.26286555606f, 0.951056516295f, -0.162459848116f, -0.26286555606f, 0.951056516295f, 0.0f, 0.525731112119f, -0.850650808352f, 0.273266528913f, 0.0f, -0.961938357784f, 0.162459848116f, 0.26286555606f, -0.951056516295f, -0.162459848116f, 0.26286555606f, -0.951056516295f, -0.273266528913f, 0.0f, -0.961938357784f, 0.0f, -0.525731112119f, -0.850650808352f, -0.162459848116f, -0.26286555606f, -0.951056516295f, 0.162459848116f, -0.26286555606f, -0.951056516295f, }; } // namespace #include "avogadrogl.h" #include using std::cout; using std::endl; namespace Avogadro::Rendering { class AmbientOcclusionRenderer { public: virtual ~AmbientOcclusionRenderer() {} virtual void renderDepth(const Eigen::Matrix4f& modelView, const Eigen::Matrix4f& projection) = 0; virtual void renderAO(const Eigen::Matrix4f& modelView, const Eigen::Matrix4f& projection, GLint textureSize, float numDirections) = 0; }; class AmbientOcclusionBaker { public: AmbientOcclusionBaker(AmbientOcclusionRenderer* renderer, GLint textureSize_) : m_renderer(renderer), m_textureSize(textureSize_), m_depthTexture(0), m_depthFBO(0), m_aoTexture(0), m_aoFBO(0) { initialize(); } void destroy() { // delete framebuffers glDeleteFramebuffers(1, &m_depthFBO); glDeleteFramebuffers(1, &m_aoFBO); // delete depth texture glDeleteTextures(1, &m_depthTexture); // note: ao texture not deleted since it contains the computed data... } GLint textureSize() const { return m_textureSize; } GLuint aoTexture() const { return m_aoTexture; } void accumulateAO(const Vector3f& center, float radius) { // save OpenGL state m_openglState.save(); // set the viewport glViewport(0, 0, m_textureSize, m_textureSize); // set the clear depth value glClearDepth(1.0f); // set the clear color glClearColor(0.0, 0.0, 0.0, 1.0); // enable polygon offset to resolve depth fighting glEnable(GL_POLYGON_OFFSET_FILL); glPolygonOffset(2.0f, 4.0f); // enable alpha blending glEnable(GL_BLEND); glBlendFunc(GL_ONE, GL_ONE); // bind the depth texture for depth lookup glActiveTexture(GL_TEXTURE0); glBindTexture(GL_TEXTURE_2D, m_depthTexture); Camera camera; camera.calculateOrthographic(-radius, radius, -radius, radius, -radius, radius); Eigen::Matrix4f projection(camera.projection().matrix()); // clear draw buffer once, AO wil be accumulated using blending glBindFramebuffer(GL_FRAMEBUFFER, m_aoFBO); glClear(GL_COLOR_BUFFER_BIT); glBindFramebuffer(GL_FRAMEBUFFER, 0); for (int i = 0; i < num_ao_points; ++i) { // random light direction Vector3f dir(ao_points[i * 3], ao_points[i * 3 + 1], ao_points[i * 3 + 2]); camera.lookAt(center + dir, center, Vector3f(0, 1, 0)); Eigen::Matrix4f modelView = camera.modelView().matrix(); // render depth to texture renderDepth(modelView, projection); // accumulate AO renderAO(modelView, projection, num_ao_points); } // load OpenGL state m_openglState.load(); } private: void initialize() { // create depth texture & FBO createDepthTexture(); createDepthFBO(); // create AO texture & FBO createAOTexture(); createAOFBO(); } void checkFramebufferStatus() { // check framebuffer status GLenum status = glCheckFramebufferStatus(GL_FRAMEBUFFER); switch (status) { case GL_FRAMEBUFFER_COMPLETE: std::cerr << "GL_FRAMEBUFFER_COMPLETE" << std::endl; break; case GL_FRAMEBUFFER_UNDEFINED: std::cerr << "GL_FRAMEBUFFER_UNDEFINED" << std::endl; break; case GL_FRAMEBUFFER_INCOMPLETE_ATTACHMENT: std::cerr << "GL_FRAMEBUFFER_INCOMPLETE_ATTACHMENT" << std::endl; break; case GL_FRAMEBUFFER_INCOMPLETE_MISSING_ATTACHMENT: std::cerr << "GL_FRAMEBUFFER_INCOMPLETE_MISSING_ATTACHMENT" << std::endl; break; case GL_FRAMEBUFFER_INCOMPLETE_DRAW_BUFFER: std::cerr << "GL_FRAMEBUFFER_INCOMPLETE_DRAW_BUFFER" << std::endl; break; case GL_FRAMEBUFFER_INCOMPLETE_READ_BUFFER: std::cerr << "GL_FRAMEBUFFER_INCOMPLETE_READ_BUFFER" << std::endl; break; case GL_FRAMEBUFFER_UNSUPPORTED: std::cerr << "GL_FRAMEBUFFER_UNSUPPORTED" << std::endl; break; case GL_FRAMEBUFFER_INCOMPLETE_MULTISAMPLE: std::cerr << "GL_FRAMEBUFFER_INCOMPLETE_MULTISAMPLE" << std::endl; break; case GL_FRAMEBUFFER_INCOMPLETE_LAYER_TARGETS: std::cerr << "GL_FRAMEBUFFER_INCOMPLETE_LAYER_TARGETS" << std::endl; break; default: std::cerr << "GL_FRAMEBUFFER_???" << std::endl; break; } } void createDepthTexture(GLenum internalFormat = GL_DEPTH_COMPONENT32) { // create depth texture glGenTextures(1, &m_depthTexture); // bind the depth texture glBindTexture(GL_TEXTURE_2D, m_depthTexture); // allocate storage for the texture glTexImage2D(GL_TEXTURE_2D, // target 0, // level internalFormat, // internal format m_textureSize, m_textureSize, // texture size 0, // border GL_DEPTH_COMPONENT, // format GL_FLOAT, // type nullptr); // data // set the filtering modes glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_MIN_FILTER, GL_LINEAR); glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_MAG_FILTER, GL_LINEAR); // set depth comparison mode // this does not work with nvidia driver, works with intel 3000... // glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_COMPARE_MODE, // GL_COMPARE_REF_TO_TEXTURE); // glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_COMPARE_FUNC, GL_LEQUAL); // set wrap modes glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_WRAP_S, GL_CLAMP_TO_EDGE); glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_WRAP_T, GL_CLAMP_TO_EDGE); // unbind texture glBindTexture(GL_TEXTURE_2D, 0); } void createDepthFBO() { // create FBO to render depth into glGenFramebuffers(1, &m_depthFBO); glBindFramebuffer(GL_FRAMEBUFFER, m_depthFBO); // attach the depth texture to the depth FBO glFramebufferTexture2D(GL_FRAMEBUFFER, GL_DEPTH_ATTACHMENT, GL_TEXTURE_2D, m_depthTexture, 0); // disable draw and read buffer glDrawBuffer(GL_NONE); glReadBuffer(GL_NONE); // check framebuffer status // checkFramebufferStatus(); // debug... // unbind framebuffer glBindFramebuffer(GL_FRAMEBUFFER, 0); } void renderDepth(const Eigen::Matrix4f& modelView, const Eigen::Matrix4f& projection) { // bind framebuffer glBindFramebuffer(GL_FRAMEBUFFER, m_depthFBO); // enable depth test glEnable(GL_DEPTH_TEST); // clear depth buffer glClear(GL_DEPTH_BUFFER_BIT); // render the scene m_renderer->renderDepth(modelView, projection); // unbind framebuffer glBindFramebuffer(GL_FRAMEBUFFER, 0); } void createAOTexture() { // create AO texture glGenTextures(1, &m_aoTexture); // bind the AO texture glBindTexture(GL_TEXTURE_2D, m_aoTexture); // allocate storage for the texture glTexImage2D(GL_TEXTURE_2D, // target 0, // level GL_RGBA, // internal format m_textureSize, m_textureSize, // texture size 0, // border GL_RGBA, // format GL_UNSIGNED_BYTE, // type nullptr); // data // set the filtering modes glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_MIN_FILTER, GL_LINEAR); glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_MAG_FILTER, GL_LINEAR); // set wrap modes glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_WRAP_S, GL_CLAMP_TO_EDGE); glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_WRAP_T, GL_CLAMP_TO_EDGE); // unbind texture glBindTexture(GL_TEXTURE_2D, 0); } void createAOFBO() { // create FBO to render depth into glGenFramebuffers(1, &m_aoFBO); glBindFramebuffer(GL_FRAMEBUFFER, m_aoFBO); // attach the depth texture to the depth FBO glFramebufferTexture2D(GL_FRAMEBUFFER, GL_COLOR_ATTACHMENT0, GL_TEXTURE_2D, m_aoTexture, 0); // disable draw and read buffer glReadBuffer(GL_NONE); // check framebuffer status // checkFramebufferStatus(); // debug... // unbind framebuffer glBindFramebuffer(GL_FRAMEBUFFER, 0); } void renderAO(const Eigen::Matrix4f& modelView, const Eigen::Matrix4f& projection, int numDirections) { // bind framebuffer glBindFramebuffer(GL_FRAMEBUFFER, m_aoFBO); // disable depth testing glDisable(GL_DEPTH_TEST); // render the scene m_renderer->renderAO(modelView, projection, m_textureSize, static_cast(numDirections)); // unbind framebuffer glBindFramebuffer(GL_FRAMEBUFFER, 0); } struct OpenGLState { void save() { // bound texture glGetIntegerv(GL_TEXTURE_BINDING_2D, &boundTexture); // viewport glGetIntegerv(GL_VIEWPORT, viewport); // depth glGetBooleanv(GL_DEPTH_TEST, &depthTest); glGetFloatv(GL_DEPTH_CLEAR_VALUE, &clearDepthValue); // color glGetBooleanv(GL_BLEND, &blend); glGetIntegerv(GL_BLEND_SRC, &blendSrc); glGetIntegerv(GL_BLEND_DST, &blendDst); glGetFloatv(GL_COLOR_CLEAR_VALUE, clearColor); // polygon offset polygonOffset = glIsEnabled(GL_POLYGON_OFFSET_FILL); glGetFloatv(GL_POLYGON_OFFSET_FACTOR, &polygonOffsetFactor); glGetFloatv(GL_POLYGON_OFFSET_UNITS, &polygonOffsetUnits); } void load() { // bound texture glBindTexture(GL_TEXTURE_2D, boundTexture); // viewport glViewport(viewport[0], viewport[1], viewport[2], viewport[3]); // depth if (!depthTest) glDisable(GL_DEPTH_TEST); else glEnable(GL_DEPTH_TEST); glClearDepth(clearDepthValue); // color glClearColor(clearColor[0], clearColor[1], clearColor[2], clearColor[3]); if (!blend) glDisable(GL_BLEND); else glEnable(GL_BLEND); glBlendFunc(blendSrc, blendDst); } // bound texture GLint boundTexture; // viewport GLint viewport[4]; // depth GLboolean depthTest; GLfloat clearDepthValue; // color GLfloat clearColor[4]; GLboolean blend; GLint blendSrc, blendDst; // polygon offset GLboolean polygonOffset; GLfloat polygonOffsetFactor; GLfloat polygonOffsetUnits; }; OpenGLState m_openglState; AmbientOcclusionRenderer* m_renderer; GLint m_textureSize; GLuint m_depthTexture; GLuint m_depthFBO; GLuint m_aoTexture; GLuint m_aoFBO; }; class SphereAmbientOcclusionRenderer : public AmbientOcclusionRenderer { public: SphereAmbientOcclusionRenderer(BufferObject& vbo, BufferObject& ibo, int numSpheres, int numVertices, int numIndices) : m_vbo(vbo), m_ibo(ibo), m_numSpheres(numSpheres), m_numVertices(numVertices), m_numIndices(numIndices) { initialize(); } void renderDepth(const Eigen::Matrix4f& modelView, const Eigen::Matrix4f& projection) override { // bind buffer objects m_vbo.bind(); m_ibo.bind(); m_depthProgram.bind(); // set the uniforms if (!m_depthProgram.setUniformValue("u_modelView", modelView)) { cout << m_depthProgram.error() << endl; } if (!m_depthProgram.setUniformValue("u_projection", projection)) { cout << m_depthProgram.error() << endl; } // set the attributes if (!m_depthProgram.enableAttributeArray("a_pos")) cout << m_depthProgram.error() << endl; if (!m_depthProgram.useAttributeArray("a_pos", ColorTextureVertex::vertexOffset(), sizeof(ColorTextureVertex), FloatType, 3, ShaderProgram::NoNormalize)) { cout << m_depthProgram.error() << endl; } if (!m_depthProgram.enableAttributeArray("a_corner")) cout << m_depthProgram.error() << endl; if (!m_depthProgram.useAttributeArray( "a_corner", ColorTextureVertex::textureCoordOffset(), sizeof(ColorTextureVertex), FloatType, 2, ShaderProgram::NoNormalize)) { cout << m_depthProgram.error() << endl; } // draw glDrawRangeElements(GL_TRIANGLES, 0, static_cast(m_numVertices), static_cast(m_numIndices), GL_UNSIGNED_INT, (const GLvoid*)nullptr); m_vbo.release(); m_ibo.release(); m_depthProgram.disableAttributeArray("a_pos"); m_depthProgram.disableAttributeArray("a_corner"); m_depthProgram.release(); } void renderAO(const Eigen::Matrix4f& modelView, const Eigen::Matrix4f& projection, GLint textureSize, float numDirections) override { // bind buffer objects m_vbo.bind(); m_ibo.bind(); m_aoProgram.bind(); // set the uniforms if (!m_aoProgram.setUniformValue("u_modelView", modelView)) { cout << m_aoProgram.error() << endl; } if (!m_aoProgram.setUniformValue("u_projection", projection)) { cout << m_aoProgram.error() << endl; } if (!m_aoProgram.setUniformValue("u_textureSize", static_cast(textureSize))) { cout << m_aoProgram.error() << endl; } if (!m_aoProgram.setUniformValue( "u_tileSize", 1.0f / std::ceil(std::sqrt(static_cast(m_numSpheres))))) { cout << m_aoProgram.error() << endl; } if (!m_aoProgram.setUniformValue("u_depthTex", 0)) { cout << m_aoProgram.error() << endl; } if (!m_aoProgram.setUniformValue("u_intensity", 1.0f / (0.3f * numDirections))) { cout << m_aoProgram.error() << endl; } // set the attributes if (!m_aoProgram.enableAttributeArray("a_pos")) cout << m_aoProgram.error() << endl; if (!m_aoProgram.useAttributeArray("a_pos", ColorTextureVertex::vertexOffset(), sizeof(ColorTextureVertex), FloatType, 3, ShaderProgram::NoNormalize)) { cout << m_aoProgram.error() << endl; } if (!m_aoProgram.enableAttributeArray("a_corner")) cout << m_aoProgram.error() << endl; if (!m_aoProgram.useAttributeArray("a_corner", ColorTextureVertex::textureCoordOffset(), sizeof(ColorTextureVertex), FloatType, 2, ShaderProgram::NoNormalize)) { cout << m_aoProgram.error() << endl; } if (!m_aoProgram.enableAttributeArray("a_tileOffset")) cout << m_aoProgram.error() << endl; if (!m_aoProgram.useAttributeArray( "a_tileOffset", ColorTextureVertex::textureCoord2Offset(), sizeof(ColorTextureVertex), FloatType, 2, ShaderProgram::NoNormalize)) { cout << m_aoProgram.error() << endl; } // draw glDrawRangeElements(GL_TRIANGLES, 0, static_cast(m_numVertices), static_cast(m_numIndices), GL_UNSIGNED_INT, (const GLvoid*)nullptr); m_vbo.release(); m_ibo.release(); m_aoProgram.disableAttributeArray("a_pos"); m_aoProgram.disableAttributeArray("a_corner"); m_aoProgram.disableAttributeArray("a_tileOffset"); m_aoProgram.release(); } void destroy() { // depth shader m_depthProgram.detachShader(m_depthVertexShader); m_depthProgram.detachShader(m_depthFragmentShader); m_depthFragmentShader.cleanup(); m_depthVertexShader.cleanup(); // ao shader m_aoProgram.detachShader(m_aoVertexShader); m_aoProgram.detachShader(m_aoFragmentShader); m_aoVertexShader.cleanup(); m_aoFragmentShader.cleanup(); } private: void initialize() { // compile depth shaders m_depthVertexShader.setType(Shader::Vertex); m_depthVertexShader.setSource(sphere_ao_depth_vs); if (!m_depthVertexShader.compile()) cout << m_depthVertexShader.error() << endl; m_depthFragmentShader.setType(Shader::Fragment); m_depthFragmentShader.setSource(sphere_ao_depth_fs); if (!m_depthFragmentShader.compile()) cout << m_depthFragmentShader.error() << endl; // link depth program m_depthProgram.attachShader(m_depthVertexShader); m_depthProgram.attachShader(m_depthFragmentShader); if (!m_depthProgram.link()) cout << m_depthProgram.error() << endl; // compile AO shaders m_aoVertexShader.setType(Shader::Vertex); m_aoVertexShader.setSource(sphere_ao_bake_vs); if (!m_aoVertexShader.compile()) cout << m_aoVertexShader.error() << endl; m_aoFragmentShader.setType(Shader::Fragment); m_aoFragmentShader.setSource(sphere_ao_bake_fs); if (!m_aoFragmentShader.compile()) cout << m_aoFragmentShader.error() << endl; // link AO program m_aoProgram.attachShader(m_aoVertexShader); m_aoProgram.attachShader(m_aoFragmentShader); if (!m_aoProgram.link()) cout << m_aoProgram.error() << endl; } Shader m_depthVertexShader; Shader m_depthFragmentShader; ShaderProgram m_depthProgram; Shader m_aoVertexShader; Shader m_aoFragmentShader; ShaderProgram m_aoProgram; BufferObject& m_vbo; BufferObject& m_ibo; int m_numSpheres; int m_numVertices; int m_numIndices; }; class AmbientOcclusionSphereGeometry::Private { public: Private() : aoTextureSize(1024) {} BufferObject vbo; BufferObject ibo; Shader vertexShader; Shader fragmentShader; ShaderProgram program; size_t numberOfVertices; size_t numberOfIndices; Eigen::Matrix4f translate; int aoTextureSize; int aoTexture; }; AmbientOcclusionSphereGeometry::AmbientOcclusionSphereGeometry() : m_dirty(false), d(new Private) {} AmbientOcclusionSphereGeometry::AmbientOcclusionSphereGeometry( const AmbientOcclusionSphereGeometry& other) : Drawable(other), m_spheres(other.m_spheres), m_indices(other.m_indices), m_dirty(true), d(new Private) {} AmbientOcclusionSphereGeometry::~AmbientOcclusionSphereGeometry() { delete d; } void AmbientOcclusionSphereGeometry::accept(Visitor& visitor) { visitor.visit(*this); } void AmbientOcclusionSphereGeometry::update() { if (m_indices.empty() || m_spheres.empty()) return; // Check if the VBOs are ready, if not get them ready. if (!d->vbo.ready() || m_dirty) { std::vector sphereIndices; std::vector sphereVertices; sphereIndices.reserve(m_indices.size() * 4); sphereVertices.reserve(m_spheres.size() * 4); int nSpheres = static_cast(m_spheres.size()); int nSpheresSquared = static_cast(std::ceil(std::sqrt(static_cast(nSpheres)))); float tileSize = 1.0f / static_cast(nSpheresSquared); float halfTileSize = tileSize / 2.0f; int tileX = 0; int tileY = 0; auto itIndex = m_indices.begin(); auto itSphere = m_spheres.begin(); // calculate center Vector3f center(Vector3f::Zero()); for (auto & m_sphere : m_spheres) center += m_sphere.center; center /= static_cast(nSpheres); /* d->translate = Eigen::Matrix4f::Identity(); d->translate(0, 3) = center.x(); d->translate(1, 3) = center.y(); d->translate(2, 3) = center.z(); */ // calculate radius float radius = 0.0f; for (auto & m_sphere : m_spheres) if ((m_sphere.center - center).norm() > radius) radius = (m_sphere.center - center).norm(); for (unsigned int i = 0; itIndex != m_indices.end() && itSphere != m_spheres.end(); ++i, ++itIndex, ++itSphere) { // Use our packed data structure... float r = itSphere->radius; unsigned int index = 4 * static_cast(*itIndex); ColorTextureVertex vert( itSphere->center, itSphere->color, Vector2f(-r, -r), Vector2f(halfTileSize + tileSize * static_cast(tileX), halfTileSize + tileSize * static_cast(tileY))); sphereVertices.push_back(vert); vert.textureCoord = Vector2f(-r, r); sphereVertices.push_back(vert); vert.textureCoord = Vector2f(r, -r); sphereVertices.push_back(vert); vert.textureCoord = Vector2f(r, r); sphereVertices.push_back(vert); // 6 indexed vertices to draw a quad... sphereIndices.push_back(index + 0); sphereIndices.push_back(index + 1); sphereIndices.push_back(index + 2); sphereIndices.push_back(index + 3); sphereIndices.push_back(index + 2); sphereIndices.push_back(index + 1); ++tileX; if (tileX >= nSpheresSquared) { // start new tile row tileX = 0; ++tileY; } } d->vbo.upload(sphereVertices, BufferObject::ArrayBuffer); d->ibo.upload(sphereIndices, BufferObject::ElementArrayBuffer); d->numberOfVertices = sphereVertices.size(); d->numberOfIndices = sphereIndices.size(); SphereAmbientOcclusionRenderer aoSphereRenderer( d->vbo, d->ibo, static_cast(m_spheres.size()), static_cast(d->numberOfVertices), static_cast(d->numberOfIndices)); AmbientOcclusionBaker baker(&aoSphereRenderer, d->aoTextureSize); baker.accumulateAO(center, radius + 2.0f); d->aoTexture = baker.aoTexture(); baker.destroy(); aoSphereRenderer.destroy(); m_dirty = false; } // Build and link the shader if it has not been used yet. if (d->vertexShader.type() == Shader::Unknown) { d->vertexShader.setType(Shader::Vertex); d->vertexShader.setSource(sphere_ao_render_vs); d->fragmentShader.setType(Shader::Fragment); d->fragmentShader.setSource(sphere_ao_render_fs); if (!d->vertexShader.compile()) cout << d->vertexShader.error() << endl; if (!d->fragmentShader.compile()) cout << d->fragmentShader.error() << endl; d->program.attachShader(d->vertexShader); d->program.attachShader(d->fragmentShader); if (!d->program.link()) cout << d->program.error() << endl; } } void AmbientOcclusionSphereGeometry::render(const Camera& camera) { if (m_indices.empty() || m_spheres.empty()) return; // Prepare the VBOs, IBOs and shader program if necessary. update(); glActiveTexture(GL_TEXTURE0); glBindTexture(GL_TEXTURE_2D, d->aoTexture); if (!d->program.bind()) cout << d->program.error() << endl; d->vbo.bind(); d->ibo.bind(); // Set up our attribute arrays. if (!d->program.enableAttributeArray("a_pos")) cout << d->program.error() << endl; if (!d->program.useAttributeArray("a_pos", ColorTextureVertex::vertexOffset(), sizeof(ColorTextureVertex), FloatType, 3, ShaderProgram::NoNormalize)) { cout << d->program.error() << endl; } if (!d->program.enableAttributeArray("a_corner")) cout << d->program.error() << endl; if (!d->program.useAttributeArray( "a_corner", ColorTextureVertex::textureCoordOffset(), sizeof(ColorTextureVertex), FloatType, 2, ShaderProgram::NoNormalize)) { cout << d->program.error() << endl; } if (!d->program.enableAttributeArray("a_tileOffset")) cout << d->program.error() << endl; if (!d->program.useAttributeArray( "a_tileOffset", ColorTextureVertex::textureCoord2Offset(), sizeof(ColorTextureVertex), FloatType, 2, ShaderProgram::NoNormalize)) { cout << d->program.error() << endl; } if (!d->program.enableAttributeArray("a_color")) cout << d->program.error() << endl; if (!d->program.useAttributeArray( "a_color", ColorTextureVertex::colorOffset(), sizeof(ColorTextureVertex), UCharType, 3, ShaderProgram::Normalize)) { cout << d->program.error() << endl; } // Set up our uniforms if (!d->program.setUniformValue("u_modelView", camera.modelView().matrix())) { cout << d->program.error() << endl; } if (!d->program.setUniformValue( "u_invModelView", Eigen::Matrix3f( camera.modelView().matrix().block<3, 3>(0, 0).inverse()))) { cout << d->program.error() << endl; } if (!d->program.setUniformValue("u_projection", camera.projection().matrix())) { cout << d->program.error() << endl; } if (!d->program.setUniformValue("u_tex", 0)) { cout << d->program.error() << endl; } // To avoid texture interpolation from neighboring tiles, texture coords are // scaled such that half a texel is removed from all sides of a tile. // width of a singl texel in texture coordinates [0, 1] float texel = 1.0f / static_cast(d->aoTextureSize); // with of a single tile in texture coordinates [0, 1] float tile = 1.f / std::ceil(std::sqrt(static_cast(m_spheres.size()))); // The uv coordinates, centered around the tileOffset are originally in the // range [-1, 1]. The denominator below ensures that these are scaled to // values matching exactly one tile. The numerator is one minus a factor // to ensure half a tile on each side is never reached to avoid texture // interpolation taking values from neighboring texels into account. if (!d->program.setUniformValue( "u_texScale", (1.0f - 2.0f * texel / tile) / (2.0f * std::ceil(std::sqrt( static_cast(m_spheres.size())))))) { cout << d->program.error() << endl; } // Render the loaded spheres using the shader and bound VBO. glDrawRangeElements(GL_TRIANGLES, 0, static_cast(d->numberOfVertices), static_cast(d->numberOfIndices), GL_UNSIGNED_INT, (const GLvoid*)nullptr); d->vbo.release(); d->ibo.release(); d->program.disableAttributeArray("a_pos"); d->program.disableAttributeArray("a_color"); d->program.disableAttributeArray("a_corner"); d->program.disableAttributeArray("a_tileOffset"); d->program.release(); } std::multimap AmbientOcclusionSphereGeometry::hits( const Vector3f& rayOrigin, const Vector3f& rayEnd, const Vector3f& rayDirection) const { std::multimap result; // Check for intersection. for (size_t i = 0; i < m_spheres.size(); ++i) { const SphereColor& sphere = m_spheres[i]; Vector3f distance = sphere.center - rayOrigin; float B = distance.dot(rayDirection); float C = distance.dot(distance) - (sphere.radius * sphere.radius); float D = B * B - C; // Test for intersection if (D < 0) continue; // Test for clipping if (B < 0 || (sphere.center - rayEnd).dot(rayDirection) > 0) continue; Identifier id; id.molecule = m_identifier.molecule; id.type = m_identifier.type; id.index = i; if (id.type != InvalidType) { auto rootD = static_cast(sqrt(D)); float depth = std::min(std::abs(B + rootD), std::abs(B - rootD)); result.insert(std::pair(depth, id)); } } return result; } void AmbientOcclusionSphereGeometry::addSphere(const Vector3f& position, const Vector3ub& color, float radius, size_t index) { m_dirty = true; m_spheres.push_back(SphereColor(position, radius, color)); m_indices.push_back(index == MaxIndex ? m_indices.size() : index); } void AmbientOcclusionSphereGeometry::clear() { m_spheres.clear(); m_indices.clear(); } } // End namespace Avogadro avogadrolibs-1.100.0/avogadro/rendering/ambientocclusionspheregeometry.h000066400000000000000000000072711474375334400266230ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_AMBIENTOCCLUSIONSPHEREGEOMETRY_H #define AVOGADRO_RENDERING_AMBIENTOCCLUSIONSPHEREGEOMETRY_H #include "drawable.h" #include #include #include namespace Avogadro { namespace Rendering { /** * @class AmbientOcclusionSphereGeometry ambientocclusionspheregeometry.h * * @brief The AmbientOcclusionSphereGeometry class contains one or more spheres. * @author Tim Vandermeersch * * This Drawable is capable of storing the geometry for one or more spheres. * A sphere is defined by a center point, a radius and a color. If the * spheres are not a densely packed one-to-one mapping with the objects indices * they can also optionally use an identifier that will point to some numeric * ID for the purposes of picking. * * Unlike the SphereGeometry class, this class also supports ambient occlusion. */ class AVOGADRORENDERING_EXPORT AmbientOcclusionSphereGeometry : public Drawable { public: AmbientOcclusionSphereGeometry(); AmbientOcclusionSphereGeometry(const AmbientOcclusionSphereGeometry& other); ~AmbientOcclusionSphereGeometry() override; AmbientOcclusionSphereGeometry& operator=(AmbientOcclusionSphereGeometry); friend void swap(AmbientOcclusionSphereGeometry& lhs, AmbientOcclusionSphereGeometry& rhs); /** * Accept a visit from our friendly visitor. */ void accept(Visitor&) override; /** * @brief Update the VBOs, IBOs etc ready for rendering. */ void update(); /** * @brief Render the sphere geometry. * @param camera The current camera to be used for rendering. */ void render(const Camera& camera) override; /** * Return the primitives that are hit by the ray. * @param rayOrigin Origin of the ray. * @param rayEnd End point of the ray. * @param rayDirection Normalized direction of the ray. * @return Sorted collection of primitives that were hit. */ std::multimap hits( const Vector3f& rayOrigin, const Vector3f& rayEnd, const Vector3f& rayDirection) const override; /** * Add a sphere to the geometry object. */ void addSphere(const Vector3f& position, const Vector3ub& color, float radius, size_t index = MaxIndex); /** * Get a reference to the spheres. */ Core::Array& spheres() { return m_spheres; } const Core::Array& spheres() const { return m_spheres; } /** * Clear the contents of the node. */ void clear() override; /** * Get the number of spheres in the node object. */ size_t size() const { return m_spheres.size(); } private: Core::Array m_spheres; Core::Array m_indices; bool m_dirty; class Private; Private* d; }; inline AmbientOcclusionSphereGeometry& AmbientOcclusionSphereGeometry:: operator=(AmbientOcclusionSphereGeometry other) { using std::swap; swap(*this, other); return *this; } inline void swap(AmbientOcclusionSphereGeometry& lhs, AmbientOcclusionSphereGeometry& rhs) { using std::swap; swap(static_cast(lhs), static_cast(rhs)); swap(lhs.m_spheres, rhs.m_spheres); swap(lhs.m_indices, rhs.m_indices); lhs.m_dirty = rhs.m_dirty = true; } } // End namespace Rendering } // End namespace Avogadro #endif // AVOGADRO_RENDERING_AMBIENTOCCLUSIONSPHEREGEOMETRY_H avogadrolibs-1.100.0/avogadro/rendering/arcsector.cpp000066400000000000000000000033201474375334400226110ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "arcsector.h" using Avogadro::Core::Array; namespace Avogadro::Rendering { void ArcSector::setArcSector(const Vector3f& origin, const Vector3f& startEdge, const Vector3f& normal, float degreesCCW, float resolutionDeg) { // Prepare rotation, calculate sizes const auto numTriangles = static_cast(std::fabs(std::ceil(degreesCCW / resolutionDeg))); const auto numVerts = static_cast(numTriangles + 2); const float stepAngleRads = (degreesCCW / static_cast(numTriangles)) * DEG_TO_RAD_F; const Eigen::AngleAxisf rot(stepAngleRads, normal); // Generate normal array Array norms(numVerts, normal); // Generate vertices Array verts(numVerts); auto vertsInserter(verts.begin()); auto vertsEnd(verts.end()); Vector3f radial = startEdge; *(vertsInserter++) = origin; *(vertsInserter++) = origin + radial; while (vertsInserter != vertsEnd) *(vertsInserter++) = origin + (radial = rot * radial); // Generate indices Array indices(numTriangles * 3); auto indexInserter(indices.begin()); auto indexEnd(indices.end()); for (unsigned int i = 1; indexInserter != indexEnd; ++i) { *(indexInserter++) = 0; *(indexInserter++) = i; *(indexInserter++) = i + 1; } clear(); addVertices(verts, norms); addTriangles(indices); } } // End namespace Avogadro::Rendering avogadrolibs-1.100.0/avogadro/rendering/arcsector.h000066400000000000000000000035221474375334400222620ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_ARCSECTOR_H #define AVOGADRO_RENDERING_ARCSECTOR_H #include "meshgeometry.h" #include namespace Avogadro { namespace Rendering { /** * @class ArcSector arcsector.h * * @brief The ArcSector class is a convenience class for creating an arc * disk (e.g., part of a circle) from a MeshGeometry. * @see ArcStrip for the edge of a circle. */ class AVOGADRORENDERING_EXPORT ArcSector : public MeshGeometry { public: ArcSector() {} ~ArcSector() override {} /** * Define the sector. * @param origin Center of the circle from which the arc is cut. * @param startEdge A vector defining an leading edge of the sector. The * direction is used to fix the sector's rotation about the origin, and the * length defines the radius of the sector. * @param normal The normal direction to the plane of the sector. * @param degreesCCW The extent of the sector, measured counter-clockwise from * startEdge in degrees. * @param resolutionDeg The radial width of each triangle used in the sector * approximation in degrees. This will be adjusted to fit an integral number * of triangles in the sector. Smaller triangles (better approximations) are * chosen if adjustment is needed. */ void setArcSector(const Vector3f& origin, const Vector3f& startEdge, const Vector3f& normal, float degreesCCW, float resolutionDeg); }; } // End namespace Rendering } // End namespace Avogadro #endif // AVOGADRO_RENDERING_ARCSECTOR_H avogadrolibs-1.100.0/avogadro/rendering/arcstrip.cpp000066400000000000000000000024031474375334400224540ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "arcstrip.h" namespace Avogadro::Rendering { void ArcStrip::setArc(const Vector3f& origin, const Vector3f& start, const Vector3f& normal, float degreesCCW, float resolutionDeg, float lineWidth) { // Prepare rotation, calculate sizes const auto resolution = static_cast(std::fabs(std::ceil(degreesCCW / resolutionDeg))); const auto numVerts = static_cast(resolution + 1); const float stepAngleRads = (degreesCCW / static_cast(resolution)) * DEG_TO_RAD_F; const Eigen::AngleAxisf rot(stepAngleRads, normal); // Generate vertices Core::Array verts(numVerts); auto vertsInserter(verts.begin()); auto vertsEnd(verts.end()); Vector3f radial = start; *(vertsInserter++) = origin + radial; while (vertsInserter != vertsEnd) *(vertsInserter++) = origin + (radial = rot * radial); clear(); addLineStrip(verts, lineWidth); } } // End namespace Avogadro::Rendering avogadrolibs-1.100.0/avogadro/rendering/arcstrip.h000066400000000000000000000032641474375334400221270ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_ARCSTRIP_H #define AVOGADRO_RENDERING_ARCSTRIP_H #include "linestripgeometry.h" #include namespace Avogadro { namespace Rendering { /** * @class ArcStrip arcstrip.h * * @brief The ArcStrip class is a convenience class for creating an arc * line (e.g., the edge of a circle). */ class AVOGADRORENDERING_EXPORT ArcStrip : public LineStripGeometry { public: ArcStrip() {} ~ArcStrip() override {} /** * Define the arc. * @param origin Center of the circle from which the arc is cut. * @param start A vector pointing from the origin to the start of the arc. * @param normal The normal direction to the plane of the circle. * @param degreesCCW The extent of the arc, measured counter-clockwise from * start in degrees. * @param resolutionDeg The radial width of each segment used in the arc * approximation, in degrees. This will be adjusted to fit an integral number * of segments into the arc. Smaller segments (better approximations) are * chosen if adjustment is needed. * @param lineWidth The width of the line. */ void setArc(const Vector3f& origin, const Vector3f& start, const Vector3f& normal, float degreesCCW, float resolutionDeg, float lineWidth); }; } // End namespace Rendering } // End namespace Avogadro #endif // AVOGADRO_RENDERING_ARCSTRIP_H avogadrolibs-1.100.0/avogadro/rendering/arrow_vs.glsl000066400000000000000000000002671474375334400226540ustar00rootroot00000000000000attribute vec4 vertex; uniform mat4 modelView; uniform mat4 projection; void main() { gl_FrontColor = vec4(0.0, 1.0, 0.0, 1.0); gl_Position = projection * modelView * vertex; } avogadrolibs-1.100.0/avogadro/rendering/arrowgeometry.cpp000066400000000000000000000120301474375334400235300ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "arrowgeometry.h" #include "avogadrogl.h" #include "bufferobject.h" #include "camera.h" #include "scene.h" #include "shader.h" #include "shaderprogram.h" #include "visitor.h" #include #include #include #include namespace { #include "arrow_vs.h" } using Avogadro::Vector3f; using Avogadro::Vector3ub; using Avogadro::Vector4ub; using std::cout; using std::endl; namespace Avogadro::Rendering { class ArrowGeometry::Private { public: Private() {} Shader vertexShader; ShaderProgram program; }; ArrowGeometry::ArrowGeometry() : m_dirty(false), d(new Private), m_color(0, 255, 0) { } ArrowGeometry::ArrowGeometry(const ArrowGeometry& other) : Drawable(other), m_vertices(other.m_vertices), m_lineStarts(other.m_lineStarts), m_color(other.m_color), m_dirty(true), d(new Private) { } ArrowGeometry::~ArrowGeometry() { delete d; } void ArrowGeometry::accept(Visitor& visitor) { visitor.visit(*this); } void ArrowGeometry::update() { if (m_vertices.empty()) return; // Build and link the shader if it has not been used yet. if (d->vertexShader.type() == Shader::Unknown) { d->vertexShader.setType(Shader::Vertex); d->vertexShader.setSource(arrow_vs); if (!d->vertexShader.compile()) cout << d->vertexShader.error() << endl; d->program.attachShader(d->vertexShader); if (!d->program.link()) cout << d->program.error() << endl; } } void ArrowGeometry::render(const Camera& camera) { if (m_vertices.empty()) return; // Prepare the shader program if necessary. update(); if (!d->program.bind()) cout << d->program.error() << endl; // Set up our uniforms (model-view and projection matrices right now). if (!d->program.setUniformValue("modelView", camera.modelView().matrix())) { cout << d->program.error() << endl; } if (!d->program.setUniformValue("projection", camera.projection().matrix())) { cout << d->program.error() << endl; } // Render the arrows using the shader. for (auto& m_vertice : m_vertices) { Vector3f v3 = m_vertice.first + 0.8 * (m_vertice.second - m_vertice.first); drawLine(m_vertice.first, v3, 2); drawCone(v3, m_vertice.second, 0.05, 1.0); } d->program.release(); } void ArrowGeometry::clear() { m_vertices.clear(); m_lineStarts.clear(); m_dirty = true; } void ArrowGeometry::drawLine(const Vector3f& start, const Vector3f& end, double lineWidth) { // Draw a line between two points of the specified thickness glPushAttrib(GL_LIGHTING_BIT); glDisable(GL_LIGHTING); glLineWidth(lineWidth); // Draw the line glBegin(GL_LINE_STRIP); glVertex3fv(start.data()); glVertex3fv(end.data()); glEnd(); glPopAttrib(); } void ArrowGeometry::drawCone(const Vector3f& base, const Vector3f& cap, double baseRadius, double) { const int CONE_TESS_LEVEL = 30; // This draws a cone which will be most useful for drawing arrows etc. Vector3f axis = cap - base; Vector3f axisNormalized = axis.normalized(); Vector3f ortho1, ortho2; ortho1 = axisNormalized.unitOrthogonal(); ortho1 *= baseRadius; ortho2 = axisNormalized.cross(ortho1); // Draw the cone // unfortunately we can't use a GL_TRIANGLE_FAN because this would force // having a common normal vector at the tip. for (int j = 0; j < CONE_TESS_LEVEL; j++) { const double alphaStep = 2.0 * M_PI / CONE_TESS_LEVEL; double alpha = j * alphaStep; double alphaNext = alpha + alphaStep; double alphaPrec = alpha - alphaStep; Vector3f v = sin(alpha) * ortho1 + cos(alpha) * ortho2 + base; Vector3f vNext = sin(alphaNext) * ortho1 + cos(alphaNext) * ortho2 + base; Vector3f vPrec = sin(alphaPrec) * ortho1 + cos(alphaPrec) * ortho2 + base; Vector3f n = (cap - v).cross(v - vPrec).normalized(); Vector3f nNext = (cap - vNext).cross(vNext - v).normalized(); glBegin(GL_TRIANGLES); glColor3ub(m_color[0], m_color[1], m_color[2]); glNormal3fv((n + nNext).normalized().data()); glVertex3fv(cap.data()); glNormal3fv(nNext.data()); glVertex3fv(vNext.data()); glNormal3fv(n.data()); glVertex3fv(v.data()); glEnd(); } // Now to draw the base glBegin(GL_TRIANGLE_FAN); glNormal3fv((-axisNormalized).eval().data()); glVertex3fv(base.data()); for (int j = 0; j <= CONE_TESS_LEVEL; j++) { double alpha = -j * M_PI / (CONE_TESS_LEVEL / 2.0); Vector3f v = cos(alpha) * ortho1 + sin(alpha) * ortho2 + base; glVertex3fv(v.data()); } glEnd(); } void ArrowGeometry::addSingleArrow(const Vector3f& pos1, const Vector3f& pos2) { m_vertices.reserve(m_vertices.size() + 1); m_vertices.push_back(std::pair(pos1, pos2)); m_dirty = true; } } // namespace Avogadro::Rendering avogadrolibs-1.100.0/avogadro/rendering/arrowgeometry.h000066400000000000000000000050641474375334400232060ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_ARROWGEOMETRY_H #define AVOGADRO_RENDERING_ARROWGEOMETRY_H #include "drawable.h" #include namespace Avogadro { namespace Rendering { /** * @class ArrowGeometry arrowgeometry.h * * @brief The ArrowGeometry class is used to store sets of line strips. */ class AVOGADRORENDERING_EXPORT ArrowGeometry : public Drawable { public: static const size_t InvalidIndex; ArrowGeometry(); ArrowGeometry(const ArrowGeometry& other); ~ArrowGeometry(); ArrowGeometry& operator=(ArrowGeometry); friend void swap(ArrowGeometry& lhs, ArrowGeometry& rhs); /** * Accept a visit from our friendly visitor. */ void accept(Visitor&) override; /** * @brief Render the arrows. * @param camera The current camera to be used for rendering. */ void render(const Camera& camera) override; /** * Clear the contents of the node. */ void clear() override; void drawLine(const Vector3f& start, const Vector3f& end, double lineWidth); void drawCone(const Vector3f& base, const Vector3f& cap, double baseRadius, double); /** * Add a single arrow object. * @param pos1 The start coordinate of the arrow. * @param pos2 The end coordinate of the arrow. * @{ */ void addSingleArrow(const Vector3f& pos1, const Vector3f& pos2); /** @} */ /** The vertex array. */ Core::Array> vertices() const { return m_vertices; } /** Set the color of the arrow */ void setColor(const Vector3ub& c) { m_color = c; } private: /** * @brief Update the shaders ready for rendering. */ void update(); Core::Array> m_vertices; Core::Array m_lineStarts; Vector3ub m_color; bool m_dirty; class Private; Private* d; }; inline ArrowGeometry& ArrowGeometry::operator=(ArrowGeometry other) { using std::swap; swap(*this, other); return *this; } inline void swap(ArrowGeometry& lhs, ArrowGeometry& rhs) { using std::swap; swap(static_cast(lhs), static_cast(rhs)); swap(lhs.m_vertices, rhs.m_vertices); lhs.m_dirty = rhs.m_dirty = true; } } // End namespace Rendering } // End namespace Avogadro #endif // AVOGADRO_RENDERING_ARROWGEOMETRY_H avogadrolibs-1.100.0/avogadro/rendering/avogadrogl.h000066400000000000000000000013131474375334400224160ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_AVOGADROGL_H #define AVOGADRO_RENDERING_AVOGADROGL_H /** * GLEW should always be in the same place, but Apple likes to move gl.h. * This header should be used instead of including the GL headers directly * in order to work around different layouts. */ #include #ifdef __APPLE__ #include #else #include #endif #endif // AVOGADRO_RENDERING_AVOGADROGL_H avogadrolibs-1.100.0/avogadro/rendering/avogadrorendering.h000066400000000000000000000035631474375334400240020ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRORENDERING_H #define AVOGADRORENDERING_H namespace Avogadro { namespace Rendering { /** * @brief The RenderPass enum is used to identify different stages in * multipass rendering. */ enum RenderPass { /** * Default value -- no rendering is currently happening. */ NotRendering = 0, /** * Solid geometry is being drawn. Alpha blending disabled, depth testing is * enabled. Additionally, any screen-space shaders act here. */ SolidPass, /** * Opaque geometry is being drawn. Alpha blending disabled, depth testing is * enabled. */ OpaquePass, /** * Translucent geometry is being drawn. Depth testing is disabled, and alpha * blending is enabled using the equivalent of the OpenGL call * @code glBlendFunc(GL_SRC_ALPHA, GL_ONE_MINUS_SRC_ALPHA) @endcode */ TranslucentPass, /** * 3D geometry is being drawn over the Opaque and Translucent rendering. * Depth testing is disabled, and alpha blending is enabled using the * equivalent of the OpenGL call * @code glBlendFunc(GL_SRC_ALPHA, GL_ONE_MINUS_SRC_ALPHA) @endcode */ Overlay3DPass, /** * 2D drawables are being rendered over the 3D scene. The * modelview matrix is identity, and the projection matrix is configured to * an orthographic projection that matches the viewport. Valid Z values are * [-1, 1], and the origin is in the bottom-left corner. Depth testing is * disabled, and alpha blending is performed the same as in TranslucentPass. */ Overlay2DPass }; } // end namespace Rendering } // end namespace Avogadro #endif // AVOGADRORENDERING_H avogadrolibs-1.100.0/avogadro/rendering/beziergeometry.cpp000066400000000000000000000016271474375334400236700ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "beziergeometry.h" namespace Avogadro::Rendering { BezierGeometry::BezierGeometry() : CurveGeometry() {} Vector3f BezierGeometry::computeCurvePoint( float t, const std::list& points) const { Vector3f h = Vector3f::Ones(); float u = 1.0f - t; float n1 = points.size(); float w = 1.0f / n1; float k = 0.0f; Vector3f Q(w, w, w); for (const auto& p : points) { for (size_t i = 0; i < 3; ++i) { h[i] = h[i] * t * (n1 - k) * w; h[i] = h[i] / (k * u * w + h[i]); Q[i] = (1.0f - h[i]) * Q[i] + h[i] * p->pos[i]; } k += 1.0f; } return Q; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/rendering/beziergeometry.h000066400000000000000000000013561474375334400233340ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_BEZIERGEOMETRY_H #define AVOGADRO_RENDERING_BEZIERGEOMETRY_H #include "curvegeometry.h" namespace Avogadro { namespace Rendering { class AVOGADRORENDERING_EXPORT BezierGeometry : public CurveGeometry { public: BezierGeometry(); protected: Vector3f computeCurvePoint(float t, const std::list& points) const override; }; } // End namespace Rendering } // End namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/rendering/bsplinegeometry.cpp000066400000000000000000000041141474375334400240360ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "bsplinegeometry.h" namespace Avogadro::Rendering { BSplineGeometry::BSplineGeometry() : CurveGeometry() {} BSplineGeometry::BSplineGeometry(bool flat) : CurveGeometry(flat) {} float B(float i, float k, float t, float knot) { float ti = knot * i; // t_i float ti1 = knot * (i + 1.0f); // t_(i+1) if (k == 1) { if (ti <= t && t < ti1) { return 1.0f; } else { return 0.0f; } } float tik = knot * (i + k); // t_(i+k) float tik1 = knot * (i + k - 1.0f); // t_(i+k-1) float a1 = (t - ti) / (tik1 - ti); float a2 = B(i, k - 1, t, knot); float b1 = (tik - t) / (tik - ti1); float b2 = B(i + 1, k - 1, t, knot); return a1 * a2 + b1 * b2; } Vector3f BSplineGeometry::computeCurvePoint( float t, const std::list& points) const { // degree: linear = 1, quadratic = 2, cubic = 3 float k = 3.0f; // how many points in either way for approximation const int lookahead = 10; // #knot segments = #control points + #degree + 1 float m = 2 * lookahead + k + 1.0f; float knot = 1.0f / m; Vector3f Q = Vector3f::Zero(); float i = 0.0f; auto it = points.begin(); const auto end = points.end(); int size = static_cast(points.size()); // start from a lookbehind distance rather than at the beginning int startIndex = (size * t) - lookahead; if (startIndex < 0) startIndex = 0; else if (startIndex > size - 2 * lookahead) startIndex = size - 2 * lookahead; float t2 = (t - startIndex / (float) size) * size / (2 * lookahead); for (; startIndex > 0 && it != end; --startIndex, ++it) {} // only read a certain number of elements from here size_t count = 2 * lookahead; for (; count && it != end; --count, ++it) { Q += (*it)->pos * B(i, k, t2, knot); i += 1.0f; } return Q; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/rendering/bsplinegeometry.h000066400000000000000000000014201474375334400235000ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_BSPLINEGEOMETRY_H #define AVOGADRO_RENDERING_BSPLINEGEOMETRY_H #include "curvegeometry.h" namespace Avogadro { namespace Rendering { class AVOGADRORENDERING_EXPORT BSplineGeometry : public CurveGeometry { public: BSplineGeometry(); BSplineGeometry(bool flat); protected: Vector3f computeCurvePoint(float t, const std::list& points) const override; }; } // End namespace Rendering } // End namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/rendering/bufferobject.cpp000066400000000000000000000040401474375334400232640ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "bufferobject.h" #include "avogadrogl.h" namespace Avogadro::Rendering { namespace { inline GLenum convertType(BufferObject::ObjectType type) { switch (type) { default: case BufferObject::ArrayBuffer: return GL_ARRAY_BUFFER; case BufferObject::ElementArrayBuffer: return GL_ELEMENT_ARRAY_BUFFER; } } } struct BufferObject::Private { Private() : handle(0) {} GLenum type; GLuint handle; }; BufferObject::BufferObject(ObjectType type_) : d(new Private), m_dirty(true) { if (type_ == ArrayBuffer) d->type = GL_ARRAY_BUFFER; else d->type = GL_ELEMENT_ARRAY_BUFFER; } BufferObject::~BufferObject() { if (d->handle != 0) glDeleteBuffers(1, &d->handle); delete d; } BufferObject::ObjectType BufferObject::type() const { if (d->type == GL_ARRAY_BUFFER) return ArrayBuffer; else return ElementArrayBuffer; } Index BufferObject::handle() const { return static_cast(d->handle); } bool BufferObject::bind() { if (!d->handle) return false; glBindBuffer(d->type, d->handle); return true; } bool BufferObject::release() { if (!d->handle) return false; glBindBuffer(d->type, 0); return true; } bool BufferObject::uploadInternal(const void* buffer, size_t size, ObjectType objectType) { GLenum objectTypeGl = convertType(objectType); if (d->handle == 0) { glGenBuffers(1, &d->handle); d->type = objectTypeGl; } else if (d->type != objectTypeGl) { m_error = "Trying to upload array buffer to incompatible buffer."; return false; } glBindBuffer(d->type, d->handle); glBufferData(d->type, size, static_cast(buffer), GL_STATIC_DRAW); m_dirty = false; return true; } } // End Avogadro namespace avogadrolibs-1.100.0/avogadro/rendering/bufferobject.h000066400000000000000000000054531474375334400227420ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_BUFFEROBJECT_H #define AVOGADRO_RENDERING_BUFFEROBJECT_H #include "avogadrorenderingexport.h" #include #include "scene.h" #include // For member variables. #include // For API. namespace Avogadro { namespace Rendering { /** * @class BufferObject bufferobject.h * @brief Buffer object to store geometry/attribute data on the GPU. * @author Marcus D. Hanwell * * This class creates GPU buffer object, and uploads the data to the GPU. */ class AVOGADRORENDERING_EXPORT BufferObject { public: enum ObjectType { ArrayBuffer, ElementArrayBuffer }; BufferObject(ObjectType type = ArrayBuffer); ~BufferObject(); /** Get the type of the buffer object. */ ObjectType type() const; /** Get the handle of the buffer object. */ Index handle() const; /** Determine if the buffer object is ready to be used. */ bool ready() const { return m_dirty == false; } /** * Upload data to the buffer object. The BufferObject::type() must match * @a type or be uninitialized. * * The ContainerT type must have tightly packed values of * ContainerT::value_type accessible by reference via ContainerT::operator[]. * Additionally, the standard size() and empty() methods must be implemented. * The std::vector and Avogadro::Core::Array classes are examples of such * supported containers. */ template bool upload(const ContainerT& array, ObjectType type); /** Bind the buffer object ready for rendering. * @note Only one ARRAY_BUFFER and one ELEMENT_ARRAY_BUFFER may be bound at * any time. */ bool bind(); /** Release the buffer. This should be done after rendering is complete. */ bool release(); /** Return a string describing errors. */ std::string error() const { return m_error; } private: bool uploadInternal(const void* buffer, size_t size, ObjectType objectType); struct Private; Private* d; bool m_dirty; std::string m_error; }; template inline bool BufferObject::upload(const ContainerT& array, BufferObject::ObjectType objectType) { if (array.empty()) { m_error = "Refusing to upload empty array."; return false; } return uploadInternal(&array[0], array.size() * sizeof(typename ContainerT::value_type), objectType); } } // End Rendering namespace } // End Avogadro namespace #endif // AVOGADRO_RENDERING_BUFFEROBJECT_H avogadrolibs-1.100.0/avogadro/rendering/camera.cpp000066400000000000000000000137731474375334400220710ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "camera.h" #include #include namespace Avogadro::Rendering { Camera::Camera() : m_width(0), m_height(0), m_projectionType(Perspective), m_orthographicScale(1.0), m_data(new EigenData), m_focus(NAN, NAN, NAN) { m_data->projection.setIdentity(); m_data->modelView.setIdentity(); } Camera::Camera(const Camera& o) : m_width(o.m_width), m_height(o.m_height), m_projectionType(o.m_projectionType), m_orthographicScale(o.m_orthographicScale), m_data(new EigenData(*o.m_data)) {} Camera& Camera::operator=(const Camera& o) { if (this != &o) { m_width = o.m_width; m_height = o.m_height; m_projectionType = o.m_projectionType; m_orthographicScale = o.m_orthographicScale; m_data = std::move(std::unique_ptr(new EigenData(*o.m_data))); } return *this; } Camera::~Camera() {} void Camera::translate(const Vector3f& translate_) { m_data->modelView.translate(translate_); } void Camera::preTranslate(const Vector3f& translate_) { m_data->modelView.pretranslate(translate_); } void Camera::rotate(float angle, const Vector3f& axis) { m_data->modelView.rotate(Eigen::AngleAxisf(angle, axis)); } void Camera::preRotate(float angle, const Vector3f& axis) { m_data->modelView.prerotate(Eigen::AngleAxisf(angle, axis)); } void Camera::scale(float s) { if (m_projectionType == Perspective) m_data->modelView.scale(s); else m_orthographicScale *= s; } void Camera::lookAt(const Vector3f& eye, const Vector3f& center, const Vector3f& up) { Vector3f f = (center - eye).normalized(); Vector3f u = up.normalized(); Vector3f s = f.cross(u).normalized(); u = s.cross(f); m_data->modelView.setIdentity(); m_data->modelView(0, 0) = s.x(); m_data->modelView(0, 1) = s.y(); m_data->modelView(0, 2) = s.z(); m_data->modelView(1, 0) = u.x(); m_data->modelView(1, 1) = u.y(); m_data->modelView(1, 2) = u.z(); m_data->modelView(2, 0) = -f.x(); m_data->modelView(2, 1) = -f.y(); m_data->modelView(2, 2) = -f.z(); m_data->modelView(0, 3) = -s.dot(eye); m_data->modelView(1, 3) = -u.dot(eye); m_data->modelView(2, 3) = f.dot(eye); } float Camera::distance(const Vector3f& point) const { return (m_data->modelView * point).norm(); } Vector3f Camera::project(const Vector3f& point) const { Eigen::Matrix4f mvp = m_data->projection.matrix() * m_data->modelView.matrix(); Vector4f tPoint(point.x(), point.y(), point.z(), 1.0f); tPoint = mvp * tPoint; Vector3f result( static_cast(m_width) * (tPoint.x() / tPoint.w() + 1.0f) / 2.0f, static_cast(m_height) * (tPoint.y() / tPoint.w() + 1.0f) / 2.0f, (tPoint.z() / tPoint.w() + 1.0f) / 2.0f); return result; } Vector3f Camera::unProject(const Vector3f& point) const { Eigen::Matrix4f mvp = m_data->projection.matrix() * m_data->modelView.matrix(); Vector4f result( 2.0f * point.x() / static_cast(m_width) - 1.0f, 2.0f * (static_cast(m_height) - point.y()) / static_cast(m_height) - 1.0f, 2.0f * point.z() - 1.0f, 1.0f); result = mvp.matrix().inverse() * result; return Vector3f(result.x() / result.w(), result.y() / result.w(), result.z() / result.w()); } Vector3f Camera::unProject(const Vector2f& point, const Vector3f& reference) const { return unProject(Vector3f(point.x(), point.y(), project(reference).z())); } void Camera::calculatePerspective(float fieldOfView, float aspectRatio, float zNear, float zFar) { m_data->projection.setIdentity(); float f = 1.0f / std::tan(fieldOfView * float(M_PI) / 360.0f); m_data->projection(0, 0) = f / aspectRatio; m_data->projection(1, 1) = f; m_data->projection(2, 2) = (zNear + zFar) / (zNear - zFar); m_data->projection(2, 3) = (2.0f * zFar * zNear) / (zNear - zFar); m_data->projection(3, 2) = -1; m_data->projection(3, 3) = 0; } void Camera::calculatePerspective(float fieldOfView, float zNear, float zFar) { calculatePerspective( fieldOfView, static_cast(m_width) / static_cast(m_height), zNear, zFar); } void Camera::calculateOrthographic(float left, float right, float bottom, float top, float zNear, float zFar) { left *= m_orthographicScale; right *= m_orthographicScale; bottom *= m_orthographicScale; top *= m_orthographicScale; m_data->projection.setIdentity(); m_data->projection(0, 0) = 2.0f / (right - left); m_data->projection(0, 3) = -(right + left) / (right - left); m_data->projection(1, 1) = 2.0f / (top - bottom); m_data->projection(1, 3) = -(top + bottom) / (top - bottom); m_data->projection(2, 2) = -2.0f / (zFar - zNear); m_data->projection(2, 3) = -(zFar + zNear) / (zFar - zNear); m_data->projection(3, 3) = 1; } void Camera::setViewport(int w, int h) { m_width = w; m_height = h; } void Camera::setProjection(const Eigen::Affine3f& transform) { m_data->projection = transform; } void Camera::setModelView(const Eigen::Affine3f& transform) { m_data->modelView = transform; } void Camera::calculatePerspective(float left, float right, float bottom, float top, float zNear, float zFar) { m_data->projection.setIdentity(); m_data->projection(0, 0) = (2.0f * zNear) / (right - left); m_data->projection(1, 1) = (2.0f * zNear) / (top - bottom); m_data->projection(0, 2) = (right + left) / (right - left); m_data->projection(1, 2) = (top + bottom) / (top - bottom); m_data->projection(2, 2) = -(zFar + zNear) / (zFar - zNear); m_data->projection(3, 2) = -1.0f; m_data->projection(2, 3) = -(2.0f * zFar * zNear) / (zFar - zNear); m_data->projection(3, 3) = 0.0f; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/rendering/camera.h000066400000000000000000000160711474375334400215300ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_CAMERA_H #define AVOGADRO_RENDERING_CAMERA_H #include "avogadrorenderingexport.h" #include // For vector types. #include // For member variables. #include namespace Avogadro { namespace Rendering { enum Projection { Perspective, Orthographic }; // Separate Eigen datastructures to ensure sufficient memory alignment. struct EigenData { EIGEN_MAKE_ALIGNED_OPERATOR_NEW Eigen::Affine3f projection; Eigen::Affine3f modelView; }; /** * @class Camera camera.h * @brief The Camera class provides utility functionality useful in camera's * used with 3D scenes. * @author Marcus D. Hanwell */ class AVOGADRORENDERING_EXPORT Camera { public: Camera(); Camera(const Camera& o); Camera& operator=(const Camera& o); ~Camera(); /** * Translate the camera's model view matrix using the supplied translation * vector @p translate. */ void translate(const Vector3f& translate); /** * Pretranslate the camera's model view matrix using the supplied translation * vector @p translate. */ void preTranslate(const Vector3f& translate); /** * Rotate the camera about the supplied @p axis by @p angle (degrees). */ void rotate(float angle, const Vector3f& axis); /** * Prerotate the camera about the supplied @p axis by @p angle (degrees). */ void preRotate(float angle, const Vector3f& axis); /** * Modify the matrix, to give the effect of zooming in or out. */ void scale(float scale); /** * Set the model-view matrix to the "look at" transformation matrix. * @param eye the position of the eye/camera. * @param center the position to look at. * @param up the vector pointing up. */ void lookAt(const Vector3f& eye, const Vector3f& center, const Vector3f& up); /** * Distance to supplied point @p point and the camera. */ float distance(const Vector3f& point) const; /** * Projects a point from the scene to the window. */ Vector3f project(const Vector3f& point) const; /** * Unprojects a point from the window to the scene. */ Vector3f unProject(const Vector3f& point) const; /** * Unprojects a point from the window to the scene, using the supplied * reference point (defaults to the origin if nothing is supplied). */ Vector3f unProject(const Vector2f& point, const Vector3f& reference = Vector3f::Zero()) const; /** * Calculate the perspective projection matrix. * @param fieldOfView angle in degrees in the y direction. * @param aspectRatio is the ratio of width to height. * @param zNear is the distance from the viewer to the near clipping plane. * @param zFar is the distance from the viewer to the far clipping plane. */ void calculatePerspective(float fieldOfView, float aspectRatio, float zNear, float zFar); /** * Calculate the perspective projection matrix. Computes the aspect ratio * from the width and height stored by the Camera object. * @param fieldOfView angle in degrees in the y direction. * @param zNear is the distance from the viewer to the near clipping plane. * @param zFar is the distance from the viewer to the far clipping plane. */ void calculatePerspective(float fieldOfView, float zNear, float zFar); /** * Calculate the perspective projection matrix using frustum planes * coordinates. * @param left left vertical clipping plane. * @param right right vertical clipping plane. * @param bottom bottom horizontal clipping plane. * @param top top horizontal clipping plane. * @param zNear distance to the near clipping plane. * @param zFar distance to the far clipping plane. */ void calculatePerspective(float left, float right, float bottom, float top, float zNear, float zFar); /** * Calculate the orthographic projection matrix. * @param left left vertical clipping plane. * @param right right vertical clipping plane. * @param bottom bottom horizontal clipping plane. * @param top top horizontal clipping plane. * @param zNear distance to the near clipping plane. * @param zFar distance to the far clipping plane. */ void calculateOrthographic(float left, float right, float bottom, float top, float zNear, float zFar); /** * Set the dimensions of the viewport in pixels. */ void setViewport(int w, int h); /** * Get the width of the viewport in pixels. */ int width() const { return m_width; } /** * Get the height of the viewport in pixels. */ int height() const { return m_height; } /** * Set the model view matrix to the identity. This resets the model view * matrix. */ void setIdentity() { m_data->modelView.setIdentity(); } /** * Set the projection transform. */ void setProjection(const Eigen::Affine3f& transform); /** * Get a reference to the projection matrix. */ const Eigen::Affine3f& projection() const; /** * Set the model view transform. */ void setModelView(const Eigen::Affine3f& transform); /** Get a reference to the model view matrix. */ const Eigen::Affine3f& modelView() const; /** * Set the projection type for this camera (Perspective or Orthographic). * @param proj The projection type to use. */ void setProjectionType(Projection proj) { m_projectionType = proj; } /** * Get the projection type the camera is using. * @return The current projection type. */ Projection projectionType() const { return m_projectionType; } /** * Set the orthographic scale, this defaults to 1.0. Affects calculation of * the orthographic projection matrix. * @param newScale The factor to scale orthographic projection by. */ void setOrthographicScale(float newScale) { m_orthographicScale = newScale; } /** * Get the value of the orthographic scale, defaults to 1.0. * @return The current value of the orthographic scale. */ float orthographicScale() const { return m_orthographicScale; } /** * Set focused point. Navigation actions shall occur relative to it. * Note that this method does not cause any change in camera matrices. */ void setFocus(const Eigen::Vector3f &newFocus) { m_focus = newFocus; } /** * Get focused point. Navigation actions shall occur relative to it. */ Vector3f focus() const { return m_focus; } private: int m_width; int m_height; Projection m_projectionType; float m_orthographicScale; std::unique_ptr m_data; Eigen::Vector3f m_focus; }; inline const Eigen::Affine3f& Camera::projection() const { return m_data->projection; } inline const Eigen::Affine3f& Camera::modelView() const { return m_data->modelView; } } // namespace Rendering } // namespace Avogadro #endif // AVOGADRO_RENDERING_CAMERA_H avogadrolibs-1.100.0/avogadro/rendering/cartoongeometry.cpp000066400000000000000000000102561474375334400240530ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "cartoongeometry.h" #include namespace Avogadro::Rendering { using Core::Residue; using std::vector; const float Cartoon::ELIPSE_RATIO = 0.75f; Cartoon::Cartoon() : BSplineGeometry(false), m_minRadius(-1.0f), m_maxRadius(-1.0f) {} Cartoon::Cartoon(float minRadius, float maxRadius) : BSplineGeometry(false), m_minRadius(minRadius), m_maxRadius(maxRadius) {} vector Cartoon::computeCirclePoints(const Eigen::Affine3f& a, const Eigen::Affine3f& b, bool flat) const { unsigned int circleResolution = flat ? 2 : 20; const float resolutionRadians = 2.0f * static_cast(M_PI) / static_cast(circleResolution); vector result; float elipseA = flat ? 0.999f : ELIPSE_RATIO; float elipseB = 1.0f - elipseA; float e = std::sqrt(1.0f - ((elipseB * elipseB) / (elipseA * elipseA))); float c = elipseA * e; for (unsigned int i = 0; i < circleResolution; ++i) { float theta = resolutionRadians * i; float r = (elipseA * (1.0f - (e * e))) / (1.0f + e * std::cos(theta)); Vector3f elipse = Vector3f(r * std::sin(theta), 0.0f, c + r * std::cos(theta)); ColorNormalVertex vert1; vert1.normal = a.linear() * elipse; vert1.vertex = a * elipse; result.push_back(vert1); ColorNormalVertex vert2; vert2.normal = b.linear() * elipse; vert2.vertex = b * elipse; result.push_back(vert2); } return result; } float arrowFunction(float t) { float result; const float maxPoint = 0.7f; if (t < maxPoint) { // normalize t using max point and scale it so that adding will be between // [minimumRadius, 1] result = t / maxPoint; } else { // starting with 1 and go decreassing t = (t - maxPoint) / (1.0f - maxPoint); result = 1.0f - t; result = result < 0.3 ? 0.3 : result; } return result; } float Cartoon::computeScale(size_t index, float p, float radius) const { if (index > m_type.size()) return radius; float t = (m_type[index].second + p) / 0.80f; t = t > 1.0f ? 1.0f : t; switch (m_type[index].first) { default: case Undefined: return radius; case Body: return m_minRadius; case Arrow: if (m_type[index].second == 0) { return (arrowFunction(1.0f - t) * m_maxRadius) + m_minRadius; } else { return 0.3 * m_maxRadius + m_minRadius; } case Head: return ((1.0f - t) * (m_maxRadius - m_minRadius)) + (1.0f * m_minRadius); case Tail: return (t * (m_maxRadius - m_minRadius)) + (1.0f * m_minRadius); } } CartoonType secondaryToCartoonType(Residue::SecondaryStructure sec) { switch (sec) { case Residue::SecondaryStructure::betaSheet: return Arrow; case Residue::SecondaryStructure::alphaHelix: return Tail; case Residue::SecondaryStructure::helix310: return Tail; case Residue::SecondaryStructure::piHelix: return Tail; default: return Body; } } void Cartoon::addPoint(const Vector3f& pos, const Vector3ub& color, size_t group, size_t id, Residue::SecondaryStructure sec) { CartoonType ct = secondaryToCartoonType(sec); size_t idCartoon = 0; if (m_type.size() > 0) { idCartoon = ct == m_type.back().first && m_type.size() > (SKIPPED + 1) ? m_type.back().second + 1 : 0; if (Tail == m_type.back().first && ct == Body) { for (size_t i = m_type.size(), j = 0; i > 0 && j < std::ceil(m_type.back().second / 2.0f); --i, ++j) { m_type[i - 1].first = Head; m_type[i - 1].second = j; } } if (ct == Arrow && m_type.back().first == Arrow) { m_type.back().second = 1; idCartoon = 0; } } m_type.emplace_back(ct, idCartoon); BSplineGeometry::addPoint(pos, color, m_minRadius, group, id); } } // namespace Avogadro::Rendering avogadrolibs-1.100.0/avogadro/rendering/cartoongeometry.h000066400000000000000000000027551474375334400235250ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_CARTOON_H #define AVOGADRO_RENDERING_CARTOON_H #include "bsplinegeometry.h" #include namespace Avogadro { namespace Rendering { enum CartoonType { Undefined = -1, // constant small radius Body = 0, // constant big radius Arrow = 3, // arrow head Head = 2, // decreasing Tail = 1 // increasing }; class AVOGADRORENDERING_EXPORT Cartoon : public BSplineGeometry { public: Cartoon(); Cartoon(float minRadius, float maxRadius); static const float ELIPSE_RATIO; void addPoint(const Vector3f& pos, const Vector3ub& color, size_t group, size_t id, Core::Residue::SecondaryStructure sec); protected: // create an ellipsis and adapt it to the affine A std::vector computeCirclePoints(const Eigen::Affine3f& a, const Eigen::Affine3f& b, bool flat) const override; float computeScale(size_t index, float t, float scale) const override; std::vector> m_type; float m_minRadius, m_maxRadius; }; } // namespace Rendering } // namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/rendering/curvegeometry.cpp000066400000000000000000000236031474375334400235320ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "curvegeometry.h" #include "camera.h" #include "scene.h" #include "visitor.h" namespace { #include "cylinders_fs.h" #include "cylinders_vs.h" } // namespace #include "avogadrogl.h" #include #include #include using std::cout; using std::endl; namespace Avogadro::Rendering { using Core::Array; const size_t CurveGeometry::SKIPPED = 1; CurveGeometry::CurveGeometry() : m_dirty(true), m_canBeFlat(true) { setRenderPass(SolidPass); } CurveGeometry::CurveGeometry(bool flat) : m_dirty(true), m_canBeFlat(flat) { setRenderPass(SolidPass); } CurveGeometry::~CurveGeometry() { for (auto& l : m_lines) { delete l; } } std::vector CurveGeometry::computeCirclePoints( const Eigen::Affine3f& a, const Eigen::Affine3f& b, bool flat) const { unsigned int circleResolution = flat ? 1 : 12; const float resolutionRadians = 2.0f * static_cast(M_PI) / static_cast(circleResolution); std::vector result; for (unsigned int i = 0; i < circleResolution; ++i) { float theta = i * resolutionRadians; Vector3f circle = Vector3f(std::cos(theta), 0.0f, std::sin(theta)); ColorNormalVertex vert1; vert1.normal = a.linear() * circle; vert1.vertex = a * circle; vert1.color = Vector3ub(0, 0, 0); result.push_back(vert1); ColorNormalVertex vert2; vert2.normal = b.linear() * circle; vert2.vertex = b * circle; vert2.color = Vector3ub(0, 0, 0); result.push_back(vert2); } return result; } float CurveGeometry::computeScale(size_t, float, float scale) const { return scale; } void CurveGeometry::update(int index) { // compute the middle points Line* line = m_lines[index]; unsigned int lineResolution = line->flat ? 20 : 15; size_t qttyPoints = line->points.size(); const size_t qttySegments = lineResolution * qttyPoints; Vector3f previous; std::vector points; size_t top = qttyPoints <= 4 ? 0 : line->points.size() - 4; auto it = line->points.begin(); for (size_t i = SKIPPED; i < top; ++i) { for (size_t j = 0; j < lineResolution; ++j) { float t = (i * lineResolution + j) / float(qttySegments); auto p = computeCurvePoint(t, line->points); if (i > SKIPPED) { Eigen::Matrix3f m; m.col(1) = (p - previous).normalized(); m.col(0) = m.col(1).unitOrthogonal() * -1.0f; if (i > SKIPPED + 1) { const auto& previousAngle = points.back().linear().col(0); float angle = previousAngle.dot(m.col(0)); // avoid nans if (std::isnan(angle)) { m.col(0) = previousAngle; break; // if angle > 90 flip it } else if (angle <= 0.0f) { m.col(0) *= -1.0f; } angle = previousAngle.dot(m.col(0)); float degrees = (std::acos(angle / (m.col(0).norm() * previousAngle.norm())) * RAD_TO_DEG_F); // if angle is > 25º get the bisector while (degrees > 25.0f) { m.col(0) = (m.col(0) + previousAngle).normalized(); angle = previousAngle.dot(m.col(0)); degrees = (std::acos(angle / (m.col(0).norm() * previousAngle.norm())) * RAD_TO_DEG_F); } } m.col(2) = m.col(0).cross(m.col(1)) * -1.0f; Eigen::Affine3f affine; affine.translation() = p; affine.linear() = m; float r = !m_canBeFlat || !line->flat ? computeScale(i, j / static_cast(lineResolution), line->radius) : 0.01f; affine.scale(r); points.push_back(affine); } previous = p; } ++it; } // prepare VBO and EBO std::vector indices; std::vector vertices; it = line->points.begin(); if (line->points.size() > 3) { it = std::next(it, 3); } for (size_t i = 1; i < points.size(); ++i) { if (i % lineResolution == 0) { ++it; } std::vector radials = computeCirclePoints(points[i], points[i - 1], line->flat); for (auto r : radials) { r.color = (*it)->color; vertices.push_back(r); } const auto tubeStart = static_cast( vertices.size() - (line->flat && m_canBeFlat ? radials.size() : 0)); for (unsigned int j = 0; j < radials.size() / 2; ++j) { unsigned int r1 = j + j; unsigned int r2 = (j != 0 ? r1 : radials.size()) - 2; indices.push_back(tubeStart + r1); indices.push_back(tubeStart + r1 + 1); indices.push_back(tubeStart + r2); indices.push_back(tubeStart + r2); indices.push_back(tubeStart + r1 + 1); indices.push_back(tubeStart + r2 + 1); } } line->vbo.upload(vertices, BufferObject::ArrayBuffer); line->ibo.upload(indices, BufferObject::ElementArrayBuffer); line->numberOfVertices = vertices.size(); line->numberOfIndices = indices.size(); line->dirty = false; } void CurveGeometry::accept(Visitor& visitor) { visitor.visit(*this); } void checkShaderInfo(ShaderInfo& shaderInfo, const std::string& fs, const std::string& vs) { if (shaderInfo.vertexShader.type() == Shader::Unknown) { shaderInfo.vertexShader.setType(Shader::Vertex); shaderInfo.vertexShader.setSource(vs); shaderInfo.fragmentShader.setType(Shader::Fragment); shaderInfo.fragmentShader.setSource(fs); if (!shaderInfo.vertexShader.compile()) cout << shaderInfo.vertexShader.error() << endl; if (!shaderInfo.fragmentShader.compile()) cout << shaderInfo.fragmentShader.error() << endl; shaderInfo.program.attachShader(shaderInfo.vertexShader); shaderInfo.program.attachShader(shaderInfo.fragmentShader); if (!shaderInfo.program.link()) cout << shaderInfo.program.error() << endl; } } void CurveGeometry::processShaderError(bool error) { if (error) { cout << m_shaderInfo.program.error() << endl; } } void CurveGeometry::render(const Camera& camera) { if (m_dirty) { checkShaderInfo(m_shaderInfo, cylinders_fs, cylinders_vs); m_dirty = false; } if (!m_dirty) { processShaderError(!m_shaderInfo.program.bind()); processShaderError(!m_shaderInfo.program.setUniformValue( "modelView", camera.modelView().matrix())); processShaderError(!m_shaderInfo.program.setUniformValue( "projection", camera.projection().matrix())); Eigen::Matrix3f normalMatrix = camera.modelView().linear().inverse().transpose(); processShaderError( !m_shaderInfo.program.setUniformValue("normalMatrix", normalMatrix)); for (size_t i = 0; i < m_lines.size(); ++i) { Line* line = m_lines[i]; if (line->dirty) { update(i); } line->vbo.bind(); line->ibo.bind(); processShaderError(!m_shaderInfo.program.enableAttributeArray("vertex")); processShaderError(!m_shaderInfo.program.useAttributeArray( "vertex", ColorNormalVertex::vertexOffset(), sizeof(ColorNormalVertex), FloatType, 3, ShaderProgram::NoNormalize)); processShaderError(!m_shaderInfo.program.enableAttributeArray("color")); processShaderError(!m_shaderInfo.program.useAttributeArray( "color", ColorNormalVertex::colorOffset(), sizeof(ColorNormalVertex), UCharType, 3, ShaderProgram::Normalize)); processShaderError(!m_shaderInfo.program.enableAttributeArray("normal")); processShaderError(!m_shaderInfo.program.useAttributeArray( "normal", ColorNormalVertex::normalOffset(), sizeof(ColorNormalVertex), FloatType, 3, ShaderProgram::NoNormalize)); if (line->flat && m_canBeFlat) { glLineWidth(-line->radius); } glDrawRangeElements(line->flat && m_canBeFlat ? GL_LINE_STRIP : GL_TRIANGLES, 0, static_cast(line->numberOfVertices), static_cast(line->numberOfIndices), GL_UNSIGNED_INT, reinterpret_cast(0)); line->vbo.release(); line->ibo.release(); m_shaderInfo.program.disableAttributeArray("vector"); m_shaderInfo.program.disableAttributeArray("color"); m_shaderInfo.program.disableAttributeArray("normal"); } m_shaderInfo.program.release(); } } void CurveGeometry::addPoint(const Vector3f& pos, const Vector3ub& color, float radius, size_t group, size_t id) { if (m_indexMap.find(group) == m_indexMap.end()) { m_indexMap[group] = m_lines.size(); m_lines.push_back(new Line(radius)); } m_lines[m_indexMap[group]]->radius = radius; m_lines[m_indexMap[group]]->flat = radius < 0.0f; m_lines[m_indexMap[group]]->add(new Point(pos, color, id)); } Array CurveGeometry::areaHits(const Frustrum& f) const { Array result; // Check for intersection. for (const auto& line : m_lines) { size_t skip = 0; std::queue previous; for (const auto& point : line->points) { previous.push(point->id); if (skip < 2) { ++skip; continue; } int in = 0; for (; in < 4; ++in) { float dist = (point->pos - f.points[2 * in]).dot(f.planes[in]); if (dist > 0.0f) { // Outside of our frustrum, break. break; } } if (in == 4) { // The center is within the four planes that make our frustrum - hit. Identifier id; id.molecule = m_identifier.molecule; id.type = m_identifier.type; id.index = previous.front(); result.push_back(id); } previous.pop(); } } return result; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/rendering/curvegeometry.h000066400000000000000000000051471474375334400232020ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_CURVEGEOMETRY_H #define AVOGADRO_RENDERING_CURVEGEOMETRY_H #include "bufferobject.h" #include "drawable.h" #include "shader.h" #include "shaderprogram.h" #include #include #include #include namespace Avogadro { namespace Rendering { struct ShaderInfo { Shader vertexShader; Shader fragmentShader; ShaderProgram program; }; struct Point { Point(const Vector3f& p, const Vector3ub& c, size_t i) : pos(p), color(c), id(i) {} Vector3f pos; Vector3ub color; size_t id; }; struct Line { Line() : dirty(true), flat(true), radius(0.0f) {} explicit Line(float r) : dirty(true), radius(r) { flat = r < 0.0f; } ~Line() { for (auto& p : points) { delete p; } } void add(Point* point) { points.push_back(point); dirty = true; } std::list points; bool dirty; bool flat; // use GL_POINTS float radius; BufferObject vbo; BufferObject ibo; // EBO/IBO size_t numberOfVertices; size_t numberOfIndices; }; class AVOGADRORENDERING_EXPORT CurveGeometry : public Drawable { public: CurveGeometry(); CurveGeometry(bool flat); ~CurveGeometry() override; /** * Accept a visit from our friendly visitor. */ void accept(Visitor& visitor) override; /** * @brief Render the cylinder geometry. * @param camera The current camera to be used for rendering. */ void render(const Camera& camera) override; void addPoint(const Vector3f& pos, const Vector3ub& color, float radius, size_t group, size_t id); const std::vector& lines() const { return m_lines; }; const static size_t SKIPPED; protected: std::vector m_lines; std::map m_indexMap; ShaderInfo m_shaderInfo; bool m_dirty; bool m_canBeFlat; virtual void update(int index); virtual Vector3f computeCurvePoint(float t, const std::list& points) const = 0; virtual std::vector computeCirclePoints( const Eigen::Affine3f& a, const Eigen::Affine3f& b, bool flat) const; virtual float computeScale(size_t index, float t, float scale) const; void processShaderError(bool error); Core::Array areaHits(const Frustrum& f) const override; }; } // End namespace Rendering } // End namespace Avogadro #endif avogadrolibs-1.100.0/avogadro/rendering/cylindergeometry.cpp000066400000000000000000000243721474375334400242230ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "cylindergeometry.h" #include "camera.h" #include "scene.h" #include "visitor.h" #include "bufferobject.h" #include "shader.h" #include "shaderprogram.h" namespace { #include "cylinders_fs.h" #include "cylinders_vs.h" } // namespace #include "avogadrogl.h" #include #include using std::cout; using std::endl; namespace Avogadro::Rendering { class CylinderGeometry::Private { public: Private() {} BufferObject vbo; BufferObject ibo; inline static Shader* vertexShader = nullptr; inline static Shader* fragmentShader = nullptr; inline static ShaderProgram* program = nullptr; size_t numberOfVertices; size_t numberOfIndices; }; CylinderGeometry::CylinderGeometry() : m_dirty(false), d(new Private) { setRenderPass(SolidPass); } CylinderGeometry::CylinderGeometry(const CylinderGeometry& other) : Drawable(other), m_cylinders(other.m_cylinders), m_indices(other.m_indices), m_indexMap(other.m_indexMap), m_dirty(true), d(new Private) { setRenderPass(SolidPass); } CylinderGeometry::~CylinderGeometry() { delete d; } void CylinderGeometry::accept(Visitor& visitor) { visitor.visit(*this); } void CylinderGeometry::update() { if (m_indices.empty() || m_cylinders.empty()) return; // Check if the VBOs are ready, if not get them ready. if (!d->vbo.ready() || m_dirty) { // Set some defaults for our cylinders. const unsigned int resolution = 8; // points per circle const float resolutionRadians = 2.0f * static_cast(M_PI) / static_cast(resolution); std::vector radials; radials.reserve(resolution); std::vector cylinderIndices; std::vector cylinderVertices; // cylinderIndices.reserve(m_indices.size() * 4); // cylinderVertices.reserve(m_cylinders.size() * 4); auto itIndex = m_indices.begin(); auto itCylinder = m_cylinders.begin(); for (unsigned int i = 0; itIndex != m_indices.end() && itCylinder != m_cylinders.end(); ++i, ++itIndex, ++itCylinder) { const Vector3f& position1 = itCylinder->end1; const Vector3f& position2 = itCylinder->end2; const Vector3f direction = (position2 - position1).normalized(); float radius = itCylinder->radius; // Generate the radial vectors Vector3f radialVec = direction.unitOrthogonal() * radius; Eigen::AngleAxisf transform(resolutionRadians, direction); radials.clear(); for (unsigned int j = 0; j < resolution; ++j) { radials.push_back(radialVec); radialVec = transform * radialVec; } // Cylinder ColorNormalVertex vert(itCylinder->color, -direction, position1); ColorNormalVertex vert2(itCylinder->color2, -direction, position1); const auto tubeStart = static_cast(cylinderVertices.size()); for (auto& radial : radials) { vert.normal = radial; vert.vertex = position1 + radial; cylinderVertices.push_back(vert); vert2.normal = vert.normal; vert2.vertex = position2 + radial; cylinderVertices.push_back(vert2); } // Now to stitch it together. for (unsigned int j = 0; j < resolution; ++j) { unsigned int r1 = j + j; unsigned int r2 = (j != 0 ? r1 : resolution + resolution) - 2; cylinderIndices.push_back(tubeStart + r1); cylinderIndices.push_back(tubeStart + r1 + 1); cylinderIndices.push_back(tubeStart + r2); cylinderIndices.push_back(tubeStart + r2); cylinderIndices.push_back(tubeStart + r1 + 1); cylinderIndices.push_back(tubeStart + r2 + 1); } } d->vbo.upload(cylinderVertices, BufferObject::ArrayBuffer); d->ibo.upload(cylinderIndices, BufferObject::ElementArrayBuffer); d->numberOfVertices = cylinderVertices.size(); d->numberOfIndices = cylinderIndices.size(); m_dirty = false; } // Build and link the shader if it has not been used yet. if (d->vertexShader == nullptr) { d->vertexShader = new Shader; d->vertexShader->setType(Shader::Vertex); d->vertexShader->setSource(cylinders_vs); d->fragmentShader = new Shader; d->fragmentShader->setType(Shader::Fragment); d->fragmentShader->setSource(cylinders_fs); if (!d->vertexShader->compile()) cout << d->vertexShader->error() << endl; if (!d->fragmentShader->compile()) cout << d->fragmentShader->error() << endl; if (d->program == nullptr) d->program = new ShaderProgram; d->program->attachShader(*d->vertexShader); d->program->attachShader(*d->fragmentShader); if (!d->program->link()) cout << d->program->error() << endl; } } void CylinderGeometry::render(const Camera& camera) { if (m_indices.empty() || m_cylinders.empty()) return; // Prepare the VBOs, IBOs and shader program if necessary. update(); if (!d->program->bind()) cout << d->program->error() << endl; d->vbo.bind(); d->ibo.bind(); // Set up our attribute arrays. if (!d->program->enableAttributeArray("vertex")) cout << d->program->error() << endl; if (!d->program->useAttributeArray( "vertex", ColorNormalVertex::vertexOffset(), sizeof(ColorNormalVertex), FloatType, 3, ShaderProgram::NoNormalize)) { cout << d->program->error() << endl; } if (!d->program->enableAttributeArray("color")) cout << d->program->error() << endl; if (!d->program->useAttributeArray("color", ColorNormalVertex::colorOffset(), sizeof(ColorNormalVertex), UCharType, 3, ShaderProgram::Normalize)) { cout << d->program->error() << endl; } if (!d->program->enableAttributeArray("normal")) cout << d->program->error() << endl; if (!d->program->useAttributeArray( "normal", ColorNormalVertex::normalOffset(), sizeof(ColorNormalVertex), FloatType, 3, ShaderProgram::NoNormalize)) { cout << d->program->error() << endl; } // Set up our uniforms (model-view and projection matrices right now). if (!d->program->setUniformValue("modelView", camera.modelView().matrix())) { cout << d->program->error() << endl; } if (!d->program->setUniformValue("projection", camera.projection().matrix())) { cout << d->program->error() << endl; } if (!d->program->setUniformValue("opacity", m_opacity)) { cout << d->program->error() << endl; } Matrix3f normalMatrix = camera.modelView().linear().inverse().transpose(); if (!d->program->setUniformValue("normalMatrix", normalMatrix)) std::cout << d->program->error() << std::endl; // Render the loaded spheres using the shader and bound VBO. glDrawRangeElements(GL_TRIANGLES, 0, static_cast(d->numberOfVertices), static_cast(d->numberOfIndices), GL_UNSIGNED_INT, reinterpret_cast(0)); d->vbo.release(); d->ibo.release(); d->program->disableAttributeArray("vector"); d->program->disableAttributeArray("color"); d->program->disableAttributeArray("normal"); d->program->release(); } std::multimap CylinderGeometry::hits( const Vector3f& rayOrigin, const Vector3f& rayEnd, const Vector3f& rayDirection) const { std::multimap result; for (size_t i = 0; i < m_cylinders.size(); ++i) { const CylinderColor& cylinder = m_cylinders[i]; // Check for cylinder intersection with the ray. Vector3f ao = rayOrigin - cylinder.end1; Vector3f ab = cylinder.end2 - cylinder.end1; Vector3f aoxab = ao.cross(ab); Vector3f vxab = rayDirection.cross(ab); float A = vxab.dot(vxab); float B = 2.0f * vxab.dot(aoxab); float C = aoxab.dot(aoxab) - ab.dot(ab) * (cylinder.radius * cylinder.radius); float D = B * B - 4.0f * A * C; // no intersection if (D < 0.0f) continue; float t = std::min((-B + std::sqrt(D)) / (2.0f * A), (-B - std::sqrt(D)) / (2.0f * A)); Vector3f ip = rayOrigin + (rayDirection * t); Vector3f ip1 = ip - cylinder.end1; Vector3f ip2 = ip - (cylinder.end1 + ab); // intersection below base or above top of the cylinder if (ip1.dot(ab) < 0.0f || ip2.dot(ab) > 0.0f) continue; // Test for clipping Vector3f distance = ip - rayOrigin; if (distance.dot(rayDirection) < 0.0f || (ip - rayEnd).dot(rayDirection) > 0.0f) continue; Identifier id; id.molecule = m_identifier.molecule; id.type = m_identifier.type; id.index = i; if (m_indexMap.size()) id.index = m_indexMap.find(i)->second; if (id.type != InvalidType) { float depth = distance.norm(); result.insert(std::pair(depth, id)); } } return result; } void CylinderGeometry::addCylinder(const Vector3f& pos1, const Vector3f& pos2, float radius, const Vector3ub& color) { addCylinder(pos1, pos2, radius, color, color); } void CylinderGeometry::addCylinder(const Vector3f& pos1, const Vector3f& pos2, float radius, const Vector3ub& colorStart, const Vector3ub& colorEnd) { m_dirty = true; m_cylinders.emplace_back(pos1, pos2, radius, colorStart, colorEnd); m_indices.push_back(m_indices.size()); } void CylinderGeometry::addCylinder(const Vector3f& pos1, const Vector3f& pos2, float radius, const Vector3ub& color, size_t index) { m_indexMap[m_cylinders.size()] = index; addCylinder(pos1, pos2, radius, color, color); } void CylinderGeometry::addCylinder(const Vector3f& pos1, const Vector3f& pos2, float radius, const Vector3ub& colorStart, const Vector3ub& colorEnd, size_t index) { m_indexMap[m_cylinders.size()] = index; addCylinder(pos1, pos2, radius, colorStart, colorEnd); } void CylinderGeometry::clear() { m_cylinders.clear(); m_indices.clear(); m_indexMap.clear(); } } // namespace Avogadro::Rendering avogadrolibs-1.100.0/avogadro/rendering/cylindergeometry.h000066400000000000000000000121051474375334400236570ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_CYLINDERGEOMETRY_H #define AVOGADRO_RENDERING_CYLINDERGEOMETRY_H #include "drawable.h" #include namespace Avogadro { namespace Rendering { struct CylinderColor { CylinderColor(const Vector3f& pos1, const Vector3f& pos2, float r, const Vector3ub& c, const Vector3ub& c2 = Vector3ub::Zero()) : end1(pos1), end2(pos2), radius(r), color(c), color2(c2) { } Vector3f end1; Vector3f end2; float radius; Vector3ub color; Vector3ub color2; }; /** * @class CylinderGeometry cylindergeometry.h * * @brief The CylinderGeometry contains one or more cylinders. * @author Marcus D. Hanwell */ class AVOGADRORENDERING_EXPORT CylinderGeometry : public Drawable { public: CylinderGeometry(); CylinderGeometry(const CylinderGeometry& other); ~CylinderGeometry() override; CylinderGeometry& operator=(CylinderGeometry); friend void swap(CylinderGeometry& lhs, CylinderGeometry& rhs); /** * Accept a visit from our friendly visitor. */ void accept(Visitor&) override; /** * @brief Update the VBOs, IBOs etc ready for rendering. */ void update(); /** * @brief Render the cylinder geometry. * @param camera The current camera to be used for rendering. */ void render(const Camera& camera) override; /** * Return the primitives that are hit by the ray. * @param rayOrigin Origin of the ray. * @param rayEnd End point of the ray. * @param rayDirection Normalized direction of the ray. * @return Sorted collection of primitives that were hit. */ std::multimap hits( const Vector3f& rayOrigin, const Vector3f& rayEnd, const Vector3f& rayDirection) const override; /** * @brief Add a cylinder to the geometry object. * @param pos1 Base of the cylinder axis. * @param pos2 Top of the cylinder axis. * @param radius Radius of the cylinder. * @param color Color the cylinder will be rendered. */ void addCylinder(const Vector3f& pos1, const Vector3f& pos2, float radius, const Vector3ub& color); /** * @brief Add a cylinder to the geometry object. * @param pos1 Base of the cylinder axis. * @param pos2 Top of the cylinder axis. * @param radius Radius of the cylinder. * @param color1 Color the start of the base of the cylinder. * @param color2 Color of the end of the cylinder. */ void addCylinder(const Vector3f& pos1, const Vector3f& pos2, float radius, const Vector3ub& color1, const Vector3ub& color2); /** * @brief Add a cylinder to the geometry object. * @param pos1 Base of the cylinder axis. * @param pos2 Top of the cylinder axis. * @param radius Radius of the cylinder. * @param color Color the cylinder will be rendered. * @param index The index of the cylinder being added. */ void addCylinder(const Vector3f& pos1, const Vector3f& pos2, float radius, const Vector3ub& color, size_t index); /** * @brief Add a cylinder to the geometry object. * @param pos1 Base of the cylinder axis. * @param pos2 Top of the cylinder axis. * @param radius Radius of the cylinder. * @param color Color the start of the base of the cylinder. * @param color2 Color of the end of the cylinder. * @param index The index of the cylinder being added. */ void addCylinder(const Vector3f& pos1, const Vector3f& pos2, float radius, const Vector3ub& color, const Vector3ub& color2, size_t index); /** * Get a reference to the cylinders. */ std::vector& cylinders() { return m_cylinders; } const std::vector& cylinders() const { return m_cylinders; } /** * Clear the contents of the node. */ void clear() override; /** * Get the number of cylinders in the node object. */ size_t size() const { return m_cylinders.size(); } /** * Set the opacity of the cylinders in this group. */ void setOpacity(float o) { m_opacity = o; if (o < 1.0f) setRenderPass(TranslucentPass); } private: std::vector m_cylinders; std::vector m_indices; std::map m_indexMap; float m_opacity = 1.0f; bool m_dirty; class Private; Private* d; }; inline CylinderGeometry& CylinderGeometry::operator=(CylinderGeometry other) { using std::swap; swap(*this, other); return *this; } inline void swap(CylinderGeometry& lhs, CylinderGeometry& rhs) { using std::swap; swap(static_cast(lhs), static_cast(rhs)); swap(lhs.m_cylinders, rhs.m_cylinders); swap(lhs.m_indices, rhs.m_indices); swap(lhs.m_indexMap, rhs.m_indexMap); lhs.m_dirty = rhs.m_dirty = true; } } // End namespace Rendering } // End namespace Avogadro #endif // AVOGADRO_RENDERING_CYLINDERGEOMETRY_H avogadrolibs-1.100.0/avogadro/rendering/cylinders_fs.glsl000066400000000000000000000007301474375334400234710ustar00rootroot00000000000000varying vec3 fnormal; uniform float opacity; void main() { vec3 N = normalize(fnormal); vec3 L = normalize(vec3(0, 1, 1)); vec3 E = vec3(0, 0, 1); vec3 H = normalize(L + E); float df = max(0.0, dot(N, L)); float sf = max(0.0, dot(N, H)); vec4 ambient = 0.4 * gl_Color; vec4 diffuse = 0.55 * gl_Color; vec4 specular = 0.5 * (vec4(1, 1, 1, 1) - gl_Color); gl_FragColor = ambient + df * diffuse + pow(sf, 20.0) * specular; gl_FragColor.a = opacity; } avogadrolibs-1.100.0/avogadro/rendering/cylinders_vs.glsl000066400000000000000000000004741474375334400235160ustar00rootroot00000000000000attribute vec4 vertex; attribute vec3 color; attribute vec3 normal; uniform mat4 modelView; uniform mat4 projection; uniform mat3 normalMatrix; varying vec3 fnormal; void main() { gl_FrontColor = vec4(color, 1.0); gl_Position = projection * modelView * vertex; fnormal = normalize(normalMatrix * normal); } avogadrolibs-1.100.0/avogadro/rendering/dashedline_fs.glsl000066400000000000000000000000531474375334400235730ustar00rootroot00000000000000void main() { gl_FragColor = gl_Color; } avogadrolibs-1.100.0/avogadro/rendering/dashedline_vs.glsl000066400000000000000000000002721474375334400236160ustar00rootroot00000000000000attribute vec4 vertex; attribute vec4 color; uniform mat4 modelView; uniform mat4 projection; void main() { gl_FrontColor = color; gl_Position = projection * modelView * vertex; } avogadrolibs-1.100.0/avogadro/rendering/dashedlinegeometry.cpp000066400000000000000000000122741474375334400245100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "dashedlinegeometry.h" #include "avogadrogl.h" #include "bufferobject.h" #include "camera.h" #include "scene.h" #include "shader.h" #include "shaderprogram.h" #include "visitor.h" #include #include #include #include namespace { #include "dashedline_fs.h" #include "dashedline_vs.h" } // namespace using Avogadro::Vector3f; using Avogadro::Vector3ub; using Avogadro::Vector4ub; using std::cout; using std::endl; namespace Avogadro::Rendering { class DashedLineGeometry::Private { public: Private() {} BufferObject vbo; Shader vertexShader; Shader fragmentShader; ShaderProgram program; }; DashedLineGeometry::DashedLineGeometry() : m_lineWidth(1.0), m_lineCount(0), m_color(255, 0, 0), m_opacity(255), m_dirty(false), d(new Private) { } DashedLineGeometry::DashedLineGeometry(const DashedLineGeometry& other) : Drawable(other), m_vertices(other.m_vertices), m_lineWidth(other.m_lineWidth), m_lineCount(other.m_lineCount), m_dirty(true), d(new Private) { } DashedLineGeometry::~DashedLineGeometry() { delete d; } void DashedLineGeometry::accept(Visitor& visitor) { visitor.visit(*this); } void DashedLineGeometry::update() { if (m_vertices.empty()) return; // Check if the VBOs are ready, if not get them ready. if (!d->vbo.ready() || m_dirty) { d->vbo.upload(m_vertices, BufferObject::ArrayBuffer); m_dirty = false; } // Build and link the shader if it has not been used yet. if (d->vertexShader.type() == Shader::Unknown) { d->vertexShader.setType(Shader::Vertex); d->vertexShader.setSource(dashedline_vs); d->fragmentShader.setType(Shader::Fragment); d->fragmentShader.setSource(dashedline_fs); if (!d->vertexShader.compile()) cout << d->vertexShader.error() << endl; if (!d->fragmentShader.compile()) cout << d->fragmentShader.error() << endl; d->program.attachShader(d->vertexShader); d->program.attachShader(d->fragmentShader); if (!d->program.link()) cout << d->program.error() << endl; d->program.detachShader(d->vertexShader); d->program.detachShader(d->fragmentShader); d->vertexShader.cleanup(); d->fragmentShader.cleanup(); } } void DashedLineGeometry::render(const Camera& camera) { if (m_vertices.empty()) return; // Prepare the VBO and shader program if necessary. update(); if (!d->program.bind()) cout << d->program.error() << endl; d->vbo.bind(); // Set up our attribute arrays. if (!d->program.enableAttributeArray("vertex")) cout << d->program.error() << endl; if (!d->program.useAttributeArray("vertex", PackedVertex::vertexOffset(), sizeof(PackedVertex), FloatType, 3, ShaderProgram::NoNormalize)) { cout << d->program.error() << endl; } if (!d->program.enableAttributeArray("color")) cout << d->program.error() << endl; if (!d->program.useAttributeArray("color", PackedVertex::colorOffset(), sizeof(PackedVertex), UCharType, 4, ShaderProgram::Normalize)) { cout << d->program.error() << endl; } // Set up our uniforms (model-view and projection matrices right now). if (!d->program.setUniformValue("modelView", camera.modelView().matrix())) { cout << d->program.error() << endl; } if (!d->program.setUniformValue("projection", camera.projection().matrix())) { cout << d->program.error() << endl; } glEnable(GL_LINE_SMOOTH); glLineWidth(m_lineWidth); // Render the lines using the shader and bound VBO. glDrawArrays(GL_LINES, static_cast(0), static_cast(m_vertices.size())); glDisable(GL_LINE_SMOOTH); d->vbo.release(); d->program.release(); } void DashedLineGeometry::clear() { m_vertices.clear(); m_dirty = true; } size_t DashedLineGeometry::addDashedLine(const Vector3f& start, const Vector3f& end, const Vector4ub& rgba, int dashCount) { const int vertexCount = 2 * dashCount; Vector3f delta = (end - start) / (vertexCount - 1); Vector3f current = start; for (int n = 0; n < vertexCount; n++) { m_vertices.push_back(PackedVertex(current, rgba)); current += delta; } m_lineCount++; m_dirty = true; return m_lineCount - 1; } size_t DashedLineGeometry::addDashedLine(const Vector3f& start, const Vector3f& end, const Vector3ub& rgb, int dashCount) { Vector4ub rgba = Vector4ub(rgb(0), rgb(1), rgb(2), m_opacity); return addDashedLine(start, end, rgba, dashCount); } size_t DashedLineGeometry::addDashedLine(const Vector3f& start, const Vector3f& end, int dashCount) { return addDashedLine(start, end, m_color, dashCount); } } // namespace Avogadro::Rendering avogadrolibs-1.100.0/avogadro/rendering/dashedlinegeometry.h000066400000000000000000000101331474375334400241450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_DASHEDLINEGEOMETRY_H #define AVOGADRO_RENDERING_DASHEDLINEGEOMETRY_H #include "drawable.h" #include namespace Avogadro { namespace Rendering { /** * @class DashedLineGeometry DashedLinegeometry.h * * @brief The DashedLineGeometry class is used to store sets of dashed lines. */ class AVOGADRORENDERING_EXPORT DashedLineGeometry : public Drawable { public: struct PackedVertex { // 16 bytes total: Vector3f vertex; // 12 bytes Vector4ub color; // 4 bytes PackedVertex(const Vector3f& v, const Vector4ub& c) : vertex(v), color(c) {} static int vertexOffset() { return 0; } static int colorOffset() { return static_cast(sizeof(Vector3f)); } }; DashedLineGeometry(); DashedLineGeometry(const DashedLineGeometry& other); ~DashedLineGeometry() override; DashedLineGeometry& operator=(DashedLineGeometry); friend void swap(DashedLineGeometry& lhs, DashedLineGeometry& rhs); /** * Accept a visit from our friendly visitor. */ void accept(Visitor&) override; /** * @brief Render the line strips. * @param camera The current camera to be used for rendering. */ void render(const Camera& camera) override; /** * Clear the contents of the node. */ void clear() override; /** * Add a complete line strip to the object. * @param vertices The 3D vertices which will be connected to form the line * strip. * @param color Vertex color. If not specified, use the current color() and * opacity(). If the 3 component color is set, the current opacity() is used. * @param lineWidth The width of the line strip. * @note All arrays must be the same length, or this function call will fail, * returning InvalidIndex. * @return The index of the first vertex added by this call. * @{ */ size_t addDashedLine(const Vector3f& start, const Vector3f& end, const Vector4ub& color, int dashCount); size_t addDashedLine(const Vector3f& start, const Vector3f& end, const Vector3ub& color, int dashCount); size_t addDashedLine(const Vector3f& start, const Vector3f& end, int dashCount); /** @} */ /** * The default color of the lines. This is used to set the color of new * vertices when no explicit vertex color is specified. * @{ */ void setColor(const Vector3ub& c) { m_color = c; } Vector3ub color() const { return m_color; } /** @} */ /** * The default opacity of the lines. This is used when either no explicit * vertex color is specified, or a three component color is used. * @{ */ void setOpacity(unsigned char opacity_) { m_opacity = opacity_; } unsigned char opacity() const { return m_opacity; } /** @} */ /** * The line width used for all of the lines. * @{ */ void setLineWidth(unsigned char lineWidth_) { m_lineWidth = lineWidth_; } unsigned char lineWidth() const { return m_lineWidth; } /** @} */ private: /** * @brief Update the VBOs, IBOs etc ready for rendering. */ void update(); Core::Array m_vertices; float m_lineWidth; int m_lineCount; Vector3ub m_color; unsigned char m_opacity; bool m_dirty; class Private; Private* d; }; inline DashedLineGeometry& DashedLineGeometry::operator=( DashedLineGeometry other) { using std::swap; swap(*this, other); return *this; } inline void swap(DashedLineGeometry& lhs, DashedLineGeometry& rhs) { using std::swap; swap(static_cast(lhs), static_cast(rhs)); swap(lhs.m_vertices, rhs.m_vertices); swap(lhs.m_color, rhs.m_color); swap(lhs.m_opacity, rhs.m_opacity); lhs.m_dirty = rhs.m_dirty = true; } } // End namespace Rendering } // End namespace Avogadro #endif // AVOGADRO_RENDERING_DASHEDLINEGEOMETRY_H avogadrolibs-1.100.0/avogadro/rendering/drawable.cpp000066400000000000000000000023711474375334400224120ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "drawable.h" #include "visitor.h" namespace Avogadro::Rendering { using Core::Array; Drawable::Drawable() : m_parent(nullptr), m_visible(true), m_renderPass(OpaquePass) { } Drawable::Drawable(const Drawable& other) : m_parent(other.m_parent), m_visible(other.m_visible), m_renderPass(other.m_renderPass), m_identifier(other.m_identifier) { } Drawable::~Drawable() { } void Drawable::accept(Visitor& visitor) { visitor.visit(*this); } void Drawable::render(const Camera&) { } std::multimap Drawable::hits(const Vector3f&, const Vector3f&, const Vector3f&) const { return std::multimap(); } Array Drawable::areaHits(const Frustrum&) const { return Array(); } void Drawable::clear() { } void Drawable::setParent(GeometryNode* parent_) { m_parent = parent_; } } // End namespace Avogadro avogadrolibs-1.100.0/avogadro/rendering/drawable.h000066400000000000000000000076331474375334400220650ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_DRAWABLE_H #define AVOGADRO_RENDERING_DRAWABLE_H #include "avogadrorenderingexport.h" #include "avogadrorendering.h" #include "primitive.h" #include #include #include namespace Avogadro { namespace Rendering { class Camera; class GeometryNode; class Visitor; /** * @class Drawable drawable.h * @brief The base class for all drawable geometry and types. * @author Marcus D. Hanwell * * This class provides the common API for drawable objects on the scene. It is * not a Node object, and can only be attached to GeometryNode objects in the * Scene. */ class AVOGADRORENDERING_EXPORT Drawable { public: Drawable(); Drawable(const Drawable& other); virtual ~Drawable(); Drawable& operator=(Drawable); friend void swap(Drawable& lhs, Drawable& rhs); /** * Accept a visit from our friendly visitor. */ virtual void accept(Visitor&); /** * @brief Get a pointer to the drawable object's parent. * @return Pointer to the parent node, nullptr if no parent. */ const GeometryNode* parent() const { return m_parent; } GeometryNode* parent() { return m_parent; } /** * @brief Set the visibility of the drawable object. * @param visibility True if the drawable is visible, false if invisible. */ void setVisible(bool visibility) { m_visible = visibility; } /** * @brief Get the current visibility of the drawable. * @return True if visible. */ bool isVisible() const { return m_visible; } /** * The render pass in which this drawable should be rendered. * @sa Rendering::RenderPass * @{ */ void setRenderPass(RenderPass pass) { m_renderPass = pass; } RenderPass renderPass() const { return m_renderPass; } /** @} */ /** * @brief Render the contents of the drawable. * @param camera The current Camera. */ virtual void render(const Camera& camera); /** * Get the identifier for the object, this stores the parent Molecule and * the type represented by the geometry. */ Identifier& identifier() { return m_identifier; } const Identifier& identifier() const { return m_identifier; } /** * Return the primitives that are hit by the ray. * @param rayOrigin Origin of the ray. * @param rayEnd End point of the ray. * @param rayDirection Normalized direction of the ray. * @return Sorted collection of primitives that were hit. */ virtual std::multimap hits( const Vector3f& rayOrigin, const Vector3f& rayEnd, const Vector3f& rayDirection) const; /** * Return the primitives within the supplied area. * @param f The frustrum defining the area highlighted. * @return Collection of primitives in the area. */ virtual Core::Array areaHits(const Frustrum& f) const; /** * Clear the contents of the node. */ virtual void clear(); protected: friend class GeometryNode; /** * @brief Set the parent node for the node. * @param parent The parent, a value of nullptr denotes no parent node. */ void setParent(GeometryNode* parent); GeometryNode* m_parent; bool m_visible; RenderPass m_renderPass; Identifier m_identifier; }; inline Drawable& Drawable::operator=(Drawable rhs) { using std::swap; swap(*this, rhs); return *this; } inline void swap(Drawable& lhs, Drawable& rhs) { using std::swap; swap(lhs.m_parent, rhs.m_parent); swap(lhs.m_visible, rhs.m_visible); swap(lhs.m_renderPass, rhs.m_renderPass); swap(lhs.m_identifier, rhs.m_identifier); } } // End namespace Rendering } // End namespace Avogadro #endif // AVOGADRO_RENDERING_SPHERENODE_H avogadrolibs-1.100.0/avogadro/rendering/geometrynode.cpp000066400000000000000000000047611474375334400233370ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "geometrynode.h" #include "drawable.h" #include "visitor.h" #include namespace Avogadro::Rendering { using Core::Array; GeometryNode::GeometryNode() { } GeometryNode::~GeometryNode() { clearDrawables(); } void GeometryNode::accept(Visitor& visitor) { visitor.visit(*this); for (auto & m_drawable : m_drawables) { m_drawable->accept(visitor); } } void GeometryNode::addDrawable(Drawable* object) { for (auto & m_drawable : m_drawables) { if (m_drawable == object) return; } object->setParent(this); m_drawables.push_back(object); } bool GeometryNode::removeDrawable(Drawable* object) { if (!object) return false; for (auto it = m_drawables.begin(); it != m_drawables.end(); ++it) { if (*it == object) { (*it)->setParent(nullptr); m_drawables.erase(it); return true; } } return false; } Drawable* GeometryNode::drawable(size_t index) { if (index >= m_drawables.size()) return nullptr; else return m_drawables[index]; } void GeometryNode::clearDrawables() { // Like all good parents, we destroy our children before we go... for (auto & m_drawable : m_drawables) { delete m_drawable; } m_drawables.clear(); } void GeometryNode::render(const Camera& camera) { for (auto & m_drawable : m_drawables) { if (m_drawable->isVisible()) m_drawable->render(camera); } } std::multimap GeometryNode::hits( const Vector3f& rayOrigin, const Vector3f& rayEnd, const Vector3f& rayDirection) const { std::multimap result; for (auto m_drawable : m_drawables) { std::multimap drawableHits; if (m_drawable->isVisible()) drawableHits = m_drawable->hits(rayOrigin, rayEnd, rayDirection); result.insert(drawableHits.begin(), drawableHits.end()); } return result; } Array GeometryNode::areaHits(const Frustrum& f) const { Array result; for (auto m_drawable : m_drawables) { Array drawableHits; if (m_drawable->isVisible()) drawableHits = m_drawable->areaHits(f); result.insert(result.end(), drawableHits.begin(), drawableHits.end()); } return result; } } // End namespace Avogadro avogadrolibs-1.100.0/avogadro/rendering/geometrynode.h000066400000000000000000000055231474375334400230010ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_GEOMETRYNODE_H #define AVOGADRO_RENDERING_GEOMETRYNODE_H #include "node.h" #include "primitive.h" #include #include #include #include namespace Avogadro { namespace Rendering { class Camera; class Drawable; /** * @class GeometryNode geometrynode.h * @brief The GeometryNode class is the common base of all geometry nodes. * @author Marcus D. Hanwell * * The GeometryNode contains any Drawable objects, and is the only node type * that results in anything being rendered to the screen. */ class AVOGADRORENDERING_EXPORT GeometryNode : public Node { public: GeometryNode(); ~GeometryNode() override; /** * Accept a visit from our friendly visitor. */ void accept(Visitor&) override; /** * @brief Add a drawable object to the geometry node. * @param object Drawable object to be added. */ void addDrawable(Drawable* object); /** * @brief Remove child node, this node will no longer be deleted. * @param node Node to be removed. * @return True if the node was removed, false if it was not found. */ bool removeDrawable(Drawable* node); /** * @brief Get the child Node at the specified index. * @param index The index of the child. * @return A pointer to the child node, or nullptr if the index is out of * range. */ Drawable* drawable(size_t index); /** * @brief Get a reference to the child nodes list. */ std::vector& drawables() { return m_drawables; } const std::vector drawables() const { return m_drawables; } /** * @brief Remove all drawable objects. */ void clearDrawables(); /** * @brief Render the drawables in the geometry node. */ void render(const Camera& camera); /** * Return the primitives that are hit by the ray. * @param rayOrigin Origin of the ray. * @param rayEnd End point of the ray. * @param rayDirection Normalized direction of the ray. * @return Sorted collection of primitives that were hit. */ std::multimap hits(const Vector3f& rayOrigin, const Vector3f& rayEnd, const Vector3f& rayDirection) const; /** * Return the primitives within the supplied frustrum. */ Core::Array areaHits(const Frustrum& frustrum) const; protected: std::vector m_drawables; }; } // End namespace Rendering } // End namespace Avogadro #endif // AVOGADRO_RENDERING_GEOMETRYNODE_H avogadrolibs-1.100.0/avogadro/rendering/geometryvisitor.cpp000066400000000000000000000113141474375334400241010ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "geometryvisitor.h" #include "ambientocclusionspheregeometry.h" #include "curvegeometry.h" #include "linestripgeometry.h" #include "spheregeometry.h" namespace Avogadro::Rendering { GeometryVisitor::GeometryVisitor() : m_center(Vector3f::Zero()), m_radius(0.0f), m_dirty(false) { } GeometryVisitor::~GeometryVisitor() {} void GeometryVisitor::visit(Drawable&) {} void GeometryVisitor::visit(SphereGeometry& geometry) { const Core::Array& spheres = geometry.spheres(); if (!spheres.size()) return; m_dirty = true; Vector3f tmpCenter(Vector3f::Zero()); // First find the center of the sphere geometry. auto it = spheres.begin(); for (; it != spheres.end(); ++it) tmpCenter += it->center; tmpCenter /= static_cast(spheres.size()); // Now find its radius. float tmpRadius(0.0f); if (spheres.size() > 1) { for (it = spheres.begin(); it != spheres.end(); ++it) { float distance = (it->center - tmpCenter).squaredNorm(); if (distance > tmpRadius) tmpRadius = distance; } } tmpRadius = std::sqrt(tmpRadius); m_centers.push_back(tmpCenter); m_radii.push_back(tmpRadius); } void GeometryVisitor::visit(AmbientOcclusionSphereGeometry& geometry) { const Core::Array& spheres = geometry.spheres(); if (!spheres.size()) return; m_dirty = true; Vector3f tmpCenter(Vector3f::Zero()); // First find the center of the sphere geometry. auto it = spheres.begin(); for (; it != spheres.end(); ++it) tmpCenter += it->center; tmpCenter /= static_cast(spheres.size()); // Now find its radius. float tmpRadius(0.0f); if (spheres.size() > 1) { for (it = spheres.begin(); it != spheres.end(); ++it) { float distance = (it->center - tmpCenter).squaredNorm(); if (distance > tmpRadius) tmpRadius = distance; } } tmpRadius = std::sqrt(tmpRadius); m_centers.push_back(tmpCenter); m_radii.push_back(tmpRadius); } void GeometryVisitor::visit(CurveGeometry& cg) { const auto& lines = cg.lines(); if (lines.size() == 0) { return; } m_dirty = true; float qtty = 0.0f; Vector3f tmpCenter(Vector3f::Zero()); for (const auto& line : lines) { for (const auto& point : line->points) { tmpCenter += point->pos; } qtty += line->points.size(); } tmpCenter /= qtty; float tmpRadius = 0.0f; for (const auto& line : lines) { for (const auto& point : line->points) { float distance = (point->pos - tmpCenter).squaredNorm(); if (distance > tmpRadius) tmpRadius = distance; } } m_centers.push_back(tmpCenter); m_radii.push_back(std::sqrt(tmpRadius)); } void GeometryVisitor::visit(LineStripGeometry& lsg) { typedef Core::Array VertexArray; const VertexArray verts(lsg.vertices()); if (!verts.size()) return; m_dirty = true; Vector3f tmpCenter(Vector3f::Zero()); for (const auto& vert : verts) { tmpCenter += vert.vertex; } tmpCenter /= static_cast(verts.size()); float tmpRadius(0.f); for (const auto& vert : verts) { float distance = (vert.vertex - tmpCenter).squaredNorm(); if (distance > tmpRadius) tmpRadius = distance; } m_centers.push_back(tmpCenter); m_radii.push_back(std::sqrt(tmpRadius)); } void GeometryVisitor::clear() { m_center = Vector3f::Zero(); m_radius = 0.0f; m_dirty = false; m_centers.clear(); m_radii.clear(); } Vector3f GeometryVisitor::center() { average(); return m_center; } float GeometryVisitor::radius() { average(); return m_radius; } void GeometryVisitor::average() { if (!m_dirty) return; // Find the average position of the center, then the minimal enclosing radius. m_dirty = false; if (m_centers.size() == 1) { m_center = m_centers[0]; m_radius = m_radii[0]; } else { m_center = Vector3f::Zero(); std::vector::const_iterator cit; for (cit = m_centers.begin(); cit != m_centers.end(); ++cit) m_center += *cit; m_center /= static_cast(m_centers.size()); // Now find the smallest enclosing radius for the new center. m_radius = 0.0f; std::vector::const_iterator rit; for (cit = m_centers.begin(), rit = m_radii.begin(); cit != m_centers.end() && rit != m_radii.end(); ++cit, ++rit) { float distance = (m_center - (*cit)).norm() + (*rit); if (distance > m_radius) m_radius = distance; } } } } // namespace Avogadro::Rendering avogadrolibs-1.100.0/avogadro/rendering/geometryvisitor.h000066400000000000000000000041131474375334400235450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_GEOMETRYVISITOR_H #define AVOGADRO_RENDERING_GEOMETRYVISITOR_H #include "visitor.h" #include #include namespace Avogadro { namespace Rendering { /** * @class GeometryVisitor geometryvisitor.h * * @brief Visitor that determines the geometry of the scene. * @author Marcus D. Hanwell * * This visitor will attempt to determine the geometry of the scene, most * notably the center and radius of the bounding sphere. */ class GeometryVisitor : public Visitor { public: GeometryVisitor(); ~GeometryVisitor() override; /** * The overloaded visit functions, the base versions of which do nothing. */ void visit(Node&) override { return; } void visit(GroupNode&) override { return; } void visit(GeometryNode&) override { return; } void visit(Drawable&) override; void visit(SphereGeometry&) override; void visit(AmbientOcclusionSphereGeometry&) override; void visit(CurveGeometry&) override; void visit(CylinderGeometry&) override { return; } void visit(MeshGeometry&) override { return; } void visit(TextLabel2D&) override { return; } void visit(TextLabel3D&) override { return; } void visit(LineStripGeometry&) override; /** * Clear the state of the visitor. */ void clear(); /** * Get the position of the center of the scene. */ Vector3f center(); /** * Get the radius of the scene. */ float radius(); private: /** * Get the average of the accumulated spherical centers and minimal radius. */ void average(); Vector3f m_center; float m_radius; bool m_dirty; std::vector m_centers; std::vector m_radii; }; } // End namespace Rendering } // End namespace Avogadro #endif // AVOGADRO_RENDERING_GEOMETRYVISITOR_H avogadrolibs-1.100.0/avogadro/rendering/glrenderer.cpp000066400000000000000000000265321474375334400227670ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "glrenderer.h" #include "avogadrogl.h" #include "geometrynode.h" #include "glrendervisitor.h" #include "shader.h" #include "shaderprogram.h" #include "textlabel2d.h" #include "textlabel3d.h" #include "textrenderstrategy.h" #include "visitor.h" #include #include namespace Avogadro::Rendering { using Core::Array; GLRenderer::GLRenderer() : m_valid(false), m_textRenderStrategy(nullptr), m_center(Vector3f::Zero()), m_radius(20.0) #ifdef _3DCONNEXION , m_drawIcon(false), m_iconData(nullptr), m_iconWidth(0u), m_iconHeight(0u), m_iconPosition(Eigen::Vector3f::Zero()) #endif { m_overlayCamera.setIdentity(); float aspectRatio = static_cast(m_camera.width()) / static_cast(m_camera.height()); float distance = m_camera.distance(m_center); float offset = distance + m_radius; m_perspectiveFrustum = { -aspectRatio, aspectRatio, -1.0f, 1.0f, 2.0f, offset }; m_orthographicFrustum = { -5.0f * aspectRatio, 5.0f * aspectRatio, -5.0f, 5.0f, -offset, offset }; } GLRenderer::~GLRenderer() { delete m_textRenderStrategy; } void GLRenderer::initialize() { GLenum result = glewInit(); m_valid = (result == GLEW_OK || result == GLEW_ERROR_NO_GLX_DISPLAY); if (!m_valid) { m_error += "GLEW could not be initialized.\n"; return; } if (!GLEW_VERSION_2_0) { m_error += "GL version 2.0 is not supported by your graphics driver.\n"; m_valid = false; return; } m_solidPipeline.initialize(); } void GLRenderer::resize(int width, int height) { if (!m_valid) return; glViewport(0, 0, static_cast(width), static_cast(height)); m_camera.setViewport(width, height); m_overlayCamera.setViewport(width, height); m_solidPipeline.resize(width, height); } void GLRenderer::setPixelRatio(float ratio) { m_solidPipeline.setPixelRatio(ratio); } void GLRenderer::render() { if (!m_valid) return; Vector4ub c = m_scene.backgroundColor(); glClearColor(c[0] / 255.0f, c[1] / 255.0f, c[2] / 255.0f, c[3] / 255.0f); glClear(GL_COLOR_BUFFER_BIT | GL_DEPTH_BUFFER_BIT); applyProjection(); GLRenderVisitor visitor(m_camera, m_textRenderStrategy); // Setup for solid geometry m_solidPipeline.begin(); visitor.setRenderPass(SolidPass); glEnable(GL_DEPTH_TEST); glDisable(GL_BLEND); m_scene.rootNode().accept(visitor); m_solidPipeline.end(); m_solidPipeline.adjustOffset(m_camera); // Setup for opaque geometry visitor.setRenderPass(OpaquePass); m_scene.rootNode().accept(visitor); // Setup for transparent geometry visitor.setRenderPass(TranslucentPass); glEnable(GL_BLEND); // nvidia drivers have a bug where they don't like blending // so on Mac we can use this (they don't use nvidia) #ifdef __APPLE__ glBlendFunc(GL_SRC_ALPHA, GL_ONE_MINUS_SRC_ALPHA); #else // Thanks to Giuseppe D'Angelo for a related comment: // https://bugreports.qt.io/browse/QTBUG-36739 glBlendFuncSeparate(GL_SRC_ALPHA, GL_ONE_MINUS_SRC_ALPHA, GL_ONE, GL_ONE); #endif m_scene.rootNode().accept(visitor); // Setup for 3d overlay rendering visitor.setRenderPass(Overlay3DPass); glClear(GL_DEPTH_BUFFER_BIT); m_scene.rootNode().accept(visitor); // Setup for 2d overlay rendering visitor.setRenderPass(Overlay2DPass); visitor.setCamera(m_overlayCamera); glDisable(GL_DEPTH_TEST); m_scene.rootNode().accept(visitor); #ifdef _3DCONNEXION if (m_drawIcon && (m_iconData != nullptr)) { glPushMatrix(); Eigen::Vector4f pivotPosition = m_camera.projection().matrix() * m_camera.modelView().matrix() * Eigen::Vector4f(m_iconPosition.x(), m_iconPosition.y(), m_iconPosition.z(), 1.0); pivotPosition /= pivotPosition.w(); glRasterPos3d(pivotPosition.x(), pivotPosition.y(), pivotPosition.z()); glPixelZoom(1.0f, -1.0f); glBitmap(0.0f, 0.0f, 0.0f, 0.0f, -static_cast(m_iconWidth >> 1), static_cast(m_iconHeight >> 1), NULL); glDrawPixels(m_iconWidth, m_iconHeight, GL_BGRA_EXT, GL_UNSIGNED_BYTE, m_iconData); glPopMatrix(); } #endif } void GLRenderer::resetCamera() { resetGeometry(); m_camera.setFocus(m_center); m_camera.setIdentity(); m_camera.translate(-m_center); m_camera.preTranslate(-2.22f * m_radius * Vector3f::UnitZ()); } void GLRenderer::resetGeometry() { m_scene.setDirty(true); if (m_camera.focus()(0) != m_camera.focus()(0) || m_camera.focus() == m_center) m_camera.setFocus(m_scene.center()); m_center = m_scene.center(); m_radius = m_scene.radius(); } void GLRenderer::setTextRenderStrategy(TextRenderStrategy* tren) { if (tren != m_textRenderStrategy) { // Force all labels to be regenerated on the next render: class ResetTextLabelVisitor : public Visitor { public: void visit(Node&) override { return; } void visit(GroupNode&) override { return; } void visit(GeometryNode&) override { return; } void visit(Drawable&) override { return; } void visit(SphereGeometry&) override { return; } void visit(AmbientOcclusionSphereGeometry&) override { return; } void visit(CurveGeometry&) override { return; } void visit(CylinderGeometry&) override { return; } void visit(MeshGeometry&) override { return; } void visit(Texture2D&) { return; } void visit(TextLabel2D& l) override { l.resetTexture(); } void visit(TextLabel3D& l) override { l.resetTexture(); } void visit(LineStripGeometry&) override { return; } } labelResetter; m_scene.rootNode().accept(labelResetter); delete m_textRenderStrategy; m_textRenderStrategy = tren; } } void GLRenderer::applyProjection() { float distance = m_camera.distance(m_center); float aspectRatio = static_cast(m_camera.width()) / static_cast(m_camera.height()); if (m_camera.projectionType() == Perspective) { m_perspectiveFrustum[0] = m_perspectiveFrustum[2] * aspectRatio; m_perspectiveFrustum[1] = m_perspectiveFrustum[3] * aspectRatio; m_perspectiveFrustum[5] = distance + m_radius; m_camera.calculatePerspective( m_perspectiveFrustum[0], m_perspectiveFrustum[1], m_perspectiveFrustum[2], m_perspectiveFrustum[3], m_perspectiveFrustum[4], m_perspectiveFrustum[5]); } else { // Renders the orthographic projection of the molecule m_orthographicFrustum[0] = m_orthographicFrustum[2] * aspectRatio; m_orthographicFrustum[1] = m_orthographicFrustum[3] * aspectRatio; m_orthographicFrustum[5] = distance + m_radius; m_orthographicFrustum[4] = -m_orthographicFrustum[5]; m_camera.calculateOrthographic(m_orthographicFrustum[0], // L m_orthographicFrustum[1], // R m_orthographicFrustum[2], // B m_orthographicFrustum[3], // T m_orthographicFrustum[4], // N m_orthographicFrustum[5]); // F } m_overlayCamera.calculateOrthographic( 0.f, static_cast(m_overlayCamera.width()), 0.f, static_cast(m_overlayCamera.height()), -1.f, 1.f); } std::multimap GLRenderer::hits( const GroupNode* group, const Vector3f& rayOrigin, const Vector3f& rayEnd, const Vector3f& rayDirection) const { std::multimap result; if (!group) return result; for (auto it : group->children()) { std::multimap loopHits; const Node* itNode = it.node; const auto* childGroup = dynamic_cast(itNode); if (childGroup) { loopHits = hits(childGroup, rayOrigin, rayEnd, rayDirection); result.insert(loopHits.begin(), loopHits.end()); continue; } const auto* childGeometry = itNode->cast(); if (childGeometry) { loopHits = hits(childGeometry, rayOrigin, rayEnd, rayDirection); result.insert(loopHits.begin(), loopHits.end()); continue; } } return result; } std::multimap GLRenderer::hits( const GeometryNode* geometry, const Vector3f& rayOrigin, const Vector3f& rayEnd, const Vector3f& rayDirection) const { if (!geometry) return std::multimap(); return geometry->hits(rayOrigin, rayEnd, rayDirection); } std::multimap GLRenderer::hits(int x, int y) const { // Our ray: const Vector3f origin(m_camera.unProject( Vector3f(static_cast(x), static_cast(y), 0.f))); const Vector3f end(m_camera.unProject( Vector3f(static_cast(x), static_cast(y), 1.f))); const Vector3f direction((end - origin).normalized()); return hits(&m_scene.rootNode(), origin, end, direction); } Array GLRenderer::hits(const GroupNode* group, const Frustrum& f) const { Array result; for (auto it : group->children()) { Array loopHits; const Node* itNode = it.node; const auto* childGroup = dynamic_cast(itNode); if (childGroup) { loopHits = hits(childGroup, f); result.insert(result.end(), loopHits.begin(), loopHits.end()); continue; } const auto childGeometry = itNode->cast(); if (childGeometry) { loopHits = childGeometry->areaHits(f); result.insert(result.end(), loopHits.begin(), loopHits.end()); continue; } } return result; } float GLRenderer::hit(const Vector3f& rayOrigin, const Vector3f& rayEnd, const Vector3f& rayDirection) const { std::multimap results = hits(&m_scene.rootNode(), rayOrigin, rayEnd, rayDirection); if (results.size()) return results.begin()->first; return std::numeric_limits::max(); } Array GLRenderer::hits(int x1, int y1, int x2, int y2) const { // Figure out where the corners of our rectangle are. Frustrum f; f.points[0] = m_camera.unProject( Vector3f(static_cast(x1), static_cast(y1), 0.f)); f.points[1] = m_camera.unProject( Vector3f(static_cast(x1), static_cast(y1), 1.f)); f.points[2] = m_camera.unProject( Vector3f(static_cast(x1), static_cast(y2), 0.f)); f.points[3] = m_camera.unProject( Vector3f(static_cast(x1), static_cast(y2), 1.f)); f.points[4] = m_camera.unProject( Vector3f(static_cast(x2), static_cast(y2), 0.f)); f.points[5] = m_camera.unProject( Vector3f(static_cast(x2), static_cast(y2), 1.f)); f.points[6] = m_camera.unProject( Vector3f(static_cast(x2), static_cast(y1), 0.f)); f.points[7] = m_camera.unProject( Vector3f(static_cast(x2), static_cast(y1), 1.f)); // Define a frustrum for testing if things are within it. f.planes[0] = (f.points[0] - f.points[1]).cross(f.points[2] - f.points[3]); f.planes[1] = (f.points[2] - f.points[3]).cross(f.points[4] - f.points[5]); f.planes[2] = (f.points[4] - f.points[5]).cross(f.points[6] - f.points[7]); f.planes[3] = (f.points[6] - f.points[7]).cross(f.points[0] - f.points[1]); return hits(&m_scene.rootNode(), f); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/rendering/glrenderer.h000066400000000000000000000126061474375334400224310ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_GLRENDERER_H #define AVOGADRO_RENDERING_GLRENDERER_H #include "avogadrorenderingexport.h" #include "bufferobject.h" #include "camera.h" #include "primitive.h" #include "scene.h" #include "shader.h" #include "shaderprogram.h" #include "solidpipeline.h" #include #include #include // For member variables. #include namespace Avogadro { namespace Rendering { class GeometryNode; class TextRenderStrategy; /** * @class GLRenderer glrenderer.h * @brief Render the scene using OpenGL calls. * @author Marcus D. Hanwell */ class AVOGADRORENDERING_EXPORT GLRenderer { public: GLRenderer(); ~GLRenderer(); /** Initialize the OpenGL context for rendering. */ void initialize(); /** Resize the context in response to window management events. */ void resize(int width, int height); /** Set the ratio of physical to logical pixels. */ void setPixelRatio(float ratio); /** Take care of rendering the scene, requires that the context is current. */ void render(); /** Reset the view to fit the entire scene. */ void resetCamera(); /** * Reset the scene geometry, this should be done when the scene geometry has * changed in order to ensure correct clipping. */ void resetGeometry(); /** Return the primitives under the display coordinate (x,y), mapped by depth. */ std::multimap hits(int x, int y) const; /** Return the top primitive under the display coordinate (x,y). */ Identifier hit(int x, int y) const; /** Return the depth of provided ray - geometry hit test. */ float hit(const Vector3f& rayOrigin, const Vector3f& rayEnd, const Vector3f& rayDirection) const; /** Return the primitives in the rectangular area provided. */ Core::Array hits(int x1, int y1, int x2, int y2) const; /** Check whether the GL context is valid and supports required features. * \sa error() to get more information if the context is not valid. */ bool isValid() const { return m_valid; } /** Get the error message if the context is not valid. Empty if valid. */ std::string error() const { return m_error; } /** Get the camera for this renderer. */ const Camera& camera() const; Camera& camera(); /** Get the overlay camera. */ const Camera& overlayCamera() const; Camera& overlayCamera(); /** Get the scene for this renderer. */ const Scene& scene() const { return m_scene; } Scene& scene() { return m_scene; } /** Get the solid pipeline for this renderer. */ const SolidPipeline& solidPipeline() const { return m_solidPipeline; } SolidPipeline& solidPipeline() { return m_solidPipeline; } /** * Get/set the text rendering strategy for this object. The renderer takes * ownership of the strategy object. @{ */ const TextRenderStrategy* textRenderStrategy() const; TextRenderStrategy* textRenderStrategy(); void setTextRenderStrategy(TextRenderStrategy* tren); /** @} */ std::array m_perspectiveFrustum; // L, R, B, T, N, F (planes order) std::array m_orthographicFrustum; // L, R, B, T, N, F (planes order) #ifdef _3DCONNEXION bool m_drawIcon; void* m_iconData; uint32_t m_iconWidth; uint32_t m_iconHeight; Eigen::Vector3f m_iconPosition; #endif private: /** * Apply the projection matrix. */ void applyProjection(); /** * @brief Detect hits in a group node. */ std::multimap hits(const GroupNode* group, const Vector3f& rayOrigin, const Vector3f& rayEnd, const Vector3f& rayDirection) const; /** * @brief Detect hits in a geometry node. */ std::multimap hits(const GeometryNode* geometry, const Vector3f& rayOrigin, const Vector3f& rayEnd, const Vector3f& rayDirection) const; Core::Array hits(const GroupNode* group, const Frustrum& frustrum) const; bool m_valid; std::string m_error; Camera m_camera; Camera m_overlayCamera; Scene m_scene; TextRenderStrategy* m_textRenderStrategy; SolidPipeline m_solidPipeline; Vector3f m_center; float m_radius; }; inline const Camera& GLRenderer::camera() const { return m_camera; } inline Camera& GLRenderer::camera() { return m_camera; } inline const Camera& GLRenderer::overlayCamera() const { return m_camera; } inline Camera& GLRenderer::overlayCamera() { return m_camera; } inline const TextRenderStrategy* GLRenderer::textRenderStrategy() const { return m_textRenderStrategy; } inline TextRenderStrategy* GLRenderer::textRenderStrategy() { return m_textRenderStrategy; } inline Identifier GLRenderer::hit(int x, int y) const { std::multimap results = hits(x, y); if (results.size()) return results.begin()->second; return Identifier(); } } // End Rendering namespace } // End Avogadro namespace #endif // AVOGADRO_RENDERING_GLRENDERER_H avogadrolibs-1.100.0/avogadro/rendering/glrendervisitor.cpp000066400000000000000000000043251474375334400240540ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "glrendervisitor.h" #include "ambientocclusionspheregeometry.h" #include "curvegeometry.h" #include "cylindergeometry.h" #include "linestripgeometry.h" #include "meshgeometry.h" #include "spheregeometry.h" #include "textlabel2d.h" #include "textlabel3d.h" namespace Avogadro::Rendering { GLRenderVisitor::GLRenderVisitor(const Camera& camera_, const TextRenderStrategy* trs) : m_camera(camera_), m_textRenderStrategy(trs), m_renderPass(NotRendering) { } GLRenderVisitor::~GLRenderVisitor() { } void GLRenderVisitor::visit(Drawable& geometry) { if (geometry.renderPass() == m_renderPass) geometry.render(m_camera); } void GLRenderVisitor::visit(SphereGeometry& geometry) { if (geometry.renderPass() == m_renderPass) geometry.render(m_camera); } void GLRenderVisitor::visit(AmbientOcclusionSphereGeometry& geometry) { if (geometry.renderPass() == m_renderPass) geometry.render(m_camera); } void GLRenderVisitor::visit(CurveGeometry& geometry) { if (geometry.renderPass() == m_renderPass) geometry.render(m_camera); } void GLRenderVisitor::visit(CylinderGeometry& geometry) { if (geometry.renderPass() == m_renderPass) geometry.render(m_camera); } void GLRenderVisitor::visit(MeshGeometry& geometry) { if (geometry.renderPass() == m_renderPass) geometry.render(m_camera); } void GLRenderVisitor::visit(TextLabel2D& geometry) { if (geometry.renderPass() == m_renderPass) { if (m_textRenderStrategy) geometry.buildTexture(*m_textRenderStrategy); geometry.render(m_camera); } } void GLRenderVisitor::visit(TextLabel3D& geometry) { if (geometry.renderPass() == m_renderPass) { if (m_textRenderStrategy) geometry.buildTexture(*m_textRenderStrategy); geometry.render(m_camera); } } void GLRenderVisitor::visit(LineStripGeometry& geometry) { if (geometry.renderPass() == m_renderPass) geometry.render(m_camera); } } // End namespace Avogadro avogadrolibs-1.100.0/avogadro/rendering/glrendervisitor.h000066400000000000000000000047261474375334400235260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_GLRENDERVISITOR_H #define AVOGADRO_RENDERING_GLRENDERVISITOR_H #include "visitor.h" #include "avogadrorendering.h" #include "camera.h" namespace Avogadro { namespace Rendering { class TextRenderStrategy; /** * @class GLRenderVisitor glrendervisitor.h * * @brief Visitor that takes care of rendering the scene. * @author Marcus D. Hanwell * * This visitor will render elements in the scene. */ class AVOGADRORENDERING_EXPORT GLRenderVisitor : public Visitor { public: explicit GLRenderVisitor(const Camera& camera = Camera(), const TextRenderStrategy* trs = nullptr); ~GLRenderVisitor() override; /** * The current stage of a multipass rendering. * @sa Rendering::RenderPass * @{ */ void setRenderPass(RenderPass pass) { m_renderPass = pass; } RenderPass renderPass() const { return m_renderPass; } /** @} */ /** * The overloaded visit functions, the base versions of which do nothing. */ void visit(Node&) override { return; } void visit(GroupNode&) override { return; } void visit(GeometryNode&) override { return; } void visit(Drawable&) override; void visit(SphereGeometry&) override; void visit(AmbientOcclusionSphereGeometry&) override; void visit(CurveGeometry&) override; void visit(CylinderGeometry&) override; void visit(MeshGeometry&) override; void visit(TextLabel2D& geometry) override; void visit(TextLabel3D& geometry) override; void visit(LineStripGeometry& geometry) override; void setCamera(const Camera& camera_) { m_camera = camera_; } Camera camera() const { return m_camera; } /** * A TextRenderStrategy implementation used to render text for annotations. * If nullptr, no text will be produced. * @{ */ void setTextRenderStrategy(TextRenderStrategy* trs) { m_textRenderStrategy = trs; } const TextRenderStrategy* textRenderStrategy() const { return m_textRenderStrategy; } /** @} */ private: Camera m_camera; const TextRenderStrategy* m_textRenderStrategy; RenderPass m_renderPass; }; } // End namespace Rendering } // End namespace Avogadro #endif // AVOGADRO_RENDERING_GLRENDERVISITOR_H avogadrolibs-1.100.0/avogadro/rendering/groupnode.cpp000066400000000000000000000050111474375334400226250ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "groupnode.h" #include "visitor.h" namespace Avogadro::Rendering { GroupNode::GroupNode(GroupNode* parent_) { if (parent_) parent_->addChild(this); } GroupNode::~GroupNode() { // Like all good parents, we destroy our children before we go... clear(ALL); } void GroupNode::accept(Visitor& visitor) { visitor.visit(*this); for (auto & it : m_children) { it.node->accept(visitor); } } void GroupNode::addChild(Node* node, NodeType ui) { if (!node || node == this) return; if (!hasChild(node)) { node->setParent(this); m_children.emplace_back(node, ui); } } bool GroupNode::hasChild(Node* node) const { if (!node) return false; for (auto it : m_children) { if (it.node == node) { return true; } } return false; } bool GroupNode::removeChild(Node* node) { if (!node) return false; for (auto it = m_children.begin(); it != m_children.end(); ++it) { if (it->node == node) { it->node->setParent(nullptr); m_children.erase(it); return true; } } return false; } Node* GroupNode::child(size_t index) { if (index >= m_children.size()) return nullptr; else { // this is only used in test so we can us a O(n) function auto it = m_children.begin(); it = std::next(it, index); return it->node; } } void GroupNode::clear(NodeType ui) { // Like all good parents, we destroy our children before we go... for (auto it = m_children.begin(); it != m_children.end();) { auto itNext = std::next(it); if (it->ui == ui || ui == ALL) { auto groupNode = it->node->cast(); if (groupNode != nullptr && ui != ALL) { switch (ui) { case UI: groupNode->clearUI(); break; default: case GEOMETRY: groupNode->clear(); break; } // like a good parent, kill your son if you don't have nieces if (groupNode->childCount() == 0) { delete it->node; m_children.erase(it); } } else { delete it->node; m_children.erase(it); } } it = itNext; } } void GroupNode::clear() { clear(GEOMETRY); } void GroupNode::clearUI() { clear(UI); } } // End namespace Avogadro avogadrolibs-1.100.0/avogadro/rendering/groupnode.h000066400000000000000000000056621474375334400223060ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_GROUPNODE_H #define AVOGADRO_RENDERING_GROUPNODE_H #include "node.h" #include namespace Avogadro { namespace Rendering { /** * @class GroupNode groupnode.h * @brief The GroupNode class provides common API for grouping child nodes. * @author Marcus D. Hanwell * * The GroupNode may be used to group items together, but for most other * purposes a more derived Node type would be the correct choice. */ class AVOGADRORENDERING_EXPORT GroupNode : public Node { public: enum NodeType { ALL = 0, NONE = -1, UI = 1, GEOMETRY = 2, }; struct NodeInfo { NodeInfo() : ui(NONE), node(nullptr) {} NodeInfo(Node* n, NodeType u) : ui(u), node(n) {} NodeType ui; Node* node; }; explicit GroupNode(GroupNode* parent = nullptr); ~GroupNode() override; /** * Accept a visit from our friendly visitor. */ void accept(Visitor&) override; /** * @brief Add a child node, this node will have its parent set and will be * deleted by this node upon destruction. * @param node Node to be added. */ void addChild(Node* node, NodeType ui = NodeType::GEOMETRY); /** * @brief Add a child node, this node will have its parent set and will be * deleted by this node upon destruction. * @param node Node to be added. */ void addUIChild(Node* node); /** * @brief Remove child node, this node will no longer be deleted. * @param node Node to be removed. * @return True if the node was removed, false if it was not found. */ bool removeChild(Node* node); /** * @brief Get the child Node at the specified index. * @param index The index of the child. * @return A pointer to the child node, or nullptr if the index is out of * range. * time complexity: O(n) */ Node* child(size_t index); /** * @brief check if the Node exists in this GroupNode. * @param node Node to search. * @return True if the node was found, false otherwise. */ bool hasChild(Node* node) const; /** * @return The number of child nodes contained by the GroupNode. */ size_t childCount() const { return m_children.size(); } /** * @brief Get a reference to the child nodes list. */ std::list& children() { return m_children; } const std::list& children() const { return m_children; } /** * @brief Remove all non UI-children. */ void clear(); /** * @brief Remove all UI-children. */ void clearUI(); protected: void clear(NodeType type); std::list m_children; }; } // End namespace Rendering } // End namespace Avogadro #endif // AVOGADRO_RENDERING_GROUPNODE_H avogadrolibs-1.100.0/avogadro/rendering/linestrip_fs.glsl000066400000000000000000000000531474375334400235040ustar00rootroot00000000000000void main() { gl_FragColor = gl_Color; } avogadrolibs-1.100.0/avogadro/rendering/linestrip_vs.glsl000066400000000000000000000002721474375334400235270ustar00rootroot00000000000000attribute vec4 vertex; attribute vec4 color; uniform mat4 modelView; uniform mat4 projection; void main() { gl_FrontColor = color; gl_Position = projection * modelView * vertex; } avogadrolibs-1.100.0/avogadro/rendering/linestripgeometry.cpp000066400000000000000000000176251474375334400244260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "linestripgeometry.h" #include "avogadrogl.h" #include "bufferobject.h" #include "camera.h" #include "scene.h" #include "shader.h" #include "shaderprogram.h" #include "visitor.h" #include #include #include #include namespace { #include "linestrip_fs.h" #include "linestrip_vs.h" } // namespace using Avogadro::Vector3f; using Avogadro::Vector3ub; using Avogadro::Vector4ub; using Avogadro::Core::Array; using std::cout; using std::endl; namespace Avogadro::Rendering { const size_t LineStripGeometry::InvalidIndex = std::numeric_limits::max(); class LineStripGeometry::Private { public: Private() {} BufferObject vbo; Shader vertexShader; Shader fragmentShader; ShaderProgram program; }; LineStripGeometry::LineStripGeometry() : m_color(255, 0, 0), m_opacity(255), m_dirty(false), d(new Private) { } LineStripGeometry::LineStripGeometry(const LineStripGeometry& other) : Drawable(other), m_vertices(other.m_vertices), m_lineStarts(other.m_lineStarts), m_lineWidths(other.m_lineWidths), m_color(other.m_color), m_opacity(other.m_opacity), m_dirty(true), d(new Private) { } LineStripGeometry::~LineStripGeometry() { delete d; } void LineStripGeometry::accept(Visitor& visitor) { visitor.visit(*this); } void LineStripGeometry::update() { if (m_vertices.empty()) return; // Check if the VBOs are ready, if not get them ready. if (!d->vbo.ready() || m_dirty) { d->vbo.upload(m_vertices, BufferObject::ArrayBuffer); m_dirty = false; } // Build and link the shader if it has not been used yet. if (d->vertexShader.type() == Shader::Unknown) { d->vertexShader.setType(Shader::Vertex); d->vertexShader.setSource(linestrip_vs); d->fragmentShader.setType(Shader::Fragment); d->fragmentShader.setSource(linestrip_fs); if (!d->vertexShader.compile()) cout << d->vertexShader.error() << endl; if (!d->fragmentShader.compile()) cout << d->fragmentShader.error() << endl; d->program.attachShader(d->vertexShader); d->program.attachShader(d->fragmentShader); if (!d->program.link()) cout << d->program.error() << endl; d->program.detachShader(d->vertexShader); d->program.detachShader(d->fragmentShader); d->vertexShader.cleanup(); d->fragmentShader.cleanup(); } } void LineStripGeometry::render(const Camera& camera) { if (m_vertices.empty() || m_lineStarts.empty() || m_lineWidths.size() != m_lineStarts.size()) return; // Prepare the VBO and shader program if necessary. update(); if (!d->program.bind()) cout << d->program.error() << endl; d->vbo.bind(); // Set up our attribute arrays. if (!d->program.enableAttributeArray("vertex")) cout << d->program.error() << endl; if (!d->program.useAttributeArray("vertex", PackedVertex::vertexOffset(), sizeof(PackedVertex), FloatType, 3, ShaderProgram::NoNormalize)) { cout << d->program.error() << endl; } if (!d->program.enableAttributeArray("color")) cout << d->program.error() << endl; if (!d->program.useAttributeArray("color", PackedVertex::colorOffset(), sizeof(PackedVertex), UCharType, 4, ShaderProgram::Normalize)) { cout << d->program.error() << endl; } // Set up our uniforms (model-view and projection matrices right now). if (!d->program.setUniformValue("modelView", camera.modelView().matrix())) { cout << d->program.error() << endl; } if (!d->program.setUniformValue("projection", camera.projection().matrix())) { cout << d->program.error() << endl; } // Render the linestrips using the shader and bound VBO. auto startIter = m_lineStarts.begin(); auto startEnd = m_lineStarts.end(); auto widthIter = m_lineWidths.begin(); unsigned int startIndex; unsigned int endIndex; while (startIter + 1 != startEnd) { startIndex = *startIter; endIndex = *(startIter + 1); glLineWidth(*widthIter); glDrawArrays(GL_LINE_STRIP, static_cast(startIndex), static_cast(endIndex - startIndex)); ++startIter; ++widthIter; } // There is an implicit ending index of m_vertices.size(): startIndex = *startIter; endIndex = static_cast(m_vertices.size()); glLineWidth(*widthIter); glDrawArrays(GL_LINE_STRIP, static_cast(startIndex), static_cast(endIndex - startIndex)); d->vbo.release(); d->program.disableAttributeArray("vector"); d->program.disableAttributeArray("color"); d->program.release(); } void LineStripGeometry::clear() { m_vertices.clear(); m_lineStarts.clear(); m_lineWidths.clear(); m_dirty = true; } size_t LineStripGeometry::addLineStrip(const Core::Array& vertices, const Core::Array& rgba, float lineWidth) { if (vertices.empty() || vertices.size() != rgba.size()) return InvalidIndex; size_t result = m_lineStarts.size(); m_lineStarts.push_back(static_cast(m_vertices.size())); m_lineWidths.push_back(lineWidth); auto colorIter(rgba.begin()); auto vertIter(vertices.begin()); auto vertEnd(vertices.end()); m_vertices.reserve(m_vertices.size() + vertices.size()); while (vertIter != vertEnd) m_vertices.push_back(PackedVertex(*(vertIter++), *(colorIter++))); m_dirty = true; return result; } size_t LineStripGeometry::addLineStrip(const Core::Array& vertices, const Core::Array& rgb, float lineWidth) { if (vertices.empty() || vertices.size() != rgb.size()) return InvalidIndex; size_t result = m_lineStarts.size(); m_lineStarts.push_back(static_cast(m_vertices.size())); m_lineWidths.push_back(lineWidth); auto colorIter(rgb.begin()); auto vertIter(vertices.begin()); auto vertEnd(vertices.end()); m_vertices.reserve(m_vertices.size() + vertices.size()); Vector4ub tmpColor(0, 0, 0, m_opacity); while (vertIter != vertEnd) { tmpColor.head<3>() = *(colorIter++); m_vertices.push_back(PackedVertex(*(vertIter++), tmpColor)); } m_dirty = true; return result; } size_t LineStripGeometry::addLineStrip(const Core::Array& vertices, const Vector3ub& rgb, float lineWidth) { if (vertices.empty()) return InvalidIndex; size_t result = m_lineStarts.size(); m_lineStarts.push_back(static_cast(m_vertices.size())); m_lineWidths.push_back(lineWidth); auto vertIter(vertices.begin()); auto vertEnd(vertices.end()); m_vertices.reserve(m_vertices.size() + vertices.size()); Vector4ub tmpColor(rgb[0], rgb[1], rgb[2], m_opacity); while (vertIter != vertEnd) { m_vertices.push_back(PackedVertex(*(vertIter++), tmpColor)); } m_dirty = true; return result; } size_t LineStripGeometry::addLineStrip(const Core::Array& vertices, float lineWidth) { if (vertices.empty()) return InvalidIndex; size_t result = m_lineStarts.size(); m_lineStarts.push_back(static_cast(m_vertices.size())); m_lineWidths.push_back(lineWidth); auto vertIter(vertices.begin()); auto vertEnd(vertices.end()); m_vertices.reserve(m_vertices.size() + vertices.size()); Vector4ub tmpColor(m_color[0], m_color[1], m_color[2], m_opacity); while (vertIter != vertEnd) m_vertices.push_back(PackedVertex(*(vertIter++), tmpColor)); m_dirty = true; return result; } } // namespace Avogadro::Rendering avogadrolibs-1.100.0/avogadro/rendering/linestripgeometry.h000066400000000000000000000103401474375334400240560ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_LINESTRIPGEOMETRY_H #define AVOGADRO_RENDERING_LINESTRIPGEOMETRY_H #include "drawable.h" #include namespace Avogadro { namespace Rendering { /** * @class LineStripGeometry linestripgeometry.h * * @brief The LineStripGeometry class is used to store sets of line strips. */ class AVOGADRORENDERING_EXPORT LineStripGeometry : public Drawable { public: struct PackedVertex { // 16 bytes total: Vector3f vertex; // 12 bytes Vector4ub color; // 4 bytes PackedVertex(const Vector3f& v, const Vector4ub& c) : vertex(v), color(c) {} static int vertexOffset() { return 0; } static int colorOffset() { return static_cast(sizeof(Vector3f)); } }; static const size_t InvalidIndex; LineStripGeometry(); LineStripGeometry(const LineStripGeometry& other); ~LineStripGeometry() override; LineStripGeometry& operator=(LineStripGeometry); friend void swap(LineStripGeometry& lhs, LineStripGeometry& rhs); /** * Accept a visit from our friendly visitor. */ void accept(Visitor&) override; /** * @brief Render the line strips. * @param camera The current camera to be used for rendering. */ void render(const Camera& camera) override; /** * Clear the contents of the node. */ void clear() override; /** * Add a complete line strip to the object. * @param vertices The 3D vertices which will be connected to form the line * strip. * @param color Vertex color. If not specified, use the current color() and * opacity(). If the 3 component color is set, the current opacity() is used. * @param lineWidth The width of the line strip. * @note All arrays must be the same length, or this function call will fail, * returning InvalidIndex. * @return The index of the first vertex added by this call. * @{ */ size_t addLineStrip(const Core::Array& vertices, const Core::Array& color, float lineWidth); size_t addLineStrip(const Core::Array& vertices, const Core::Array& color, float lineWidth); size_t addLineStrip(const Core::Array& vertices, const Vector3ub& color, float lineWidth); size_t addLineStrip(const Core::Array& vertices, float lineWidth); /** @} */ /** * The default color of the lines. This is used to set the color of new * vertices when no explicit vertex color is specified. * @{ */ void setColor(const Vector3ub& c) { m_color = c; } Vector3ub color() const { return m_color; } /** @} */ /** * The default opacity of the lines. This is used when either no explicit * vertex color is specified, or a three component color is used. * @{ */ void setOpacity(unsigned char opacity_) { m_opacity = opacity_; } unsigned char opacity() const { return m_opacity; } /** @} */ /** The vertex array. */ Core::Array vertices() const { return m_vertices; } private: /** * @brief Update the VBOs, IBOs etc ready for rendering. */ void update(); Core::Array m_vertices; Core::Array m_lineStarts; Core::Array m_lineWidths; Vector3ub m_color; unsigned char m_opacity; bool m_dirty; class Private; Private* d; }; inline LineStripGeometry& LineStripGeometry::operator=(LineStripGeometry other) { using std::swap; swap(*this, other); return *this; } inline void swap(LineStripGeometry& lhs, LineStripGeometry& rhs) { using std::swap; swap(static_cast(lhs), static_cast(rhs)); swap(lhs.m_vertices, rhs.m_vertices); swap(lhs.m_lineStarts, rhs.m_lineStarts); swap(lhs.m_lineWidths, rhs.m_lineWidths); swap(lhs.m_color, rhs.m_color); swap(lhs.m_opacity, rhs.m_opacity); lhs.m_dirty = rhs.m_dirty = true; } } // End namespace Rendering } // End namespace Avogadro #endif // AVOGADRO_RENDERING_LINESTRIPGEOMETRY_H avogadrolibs-1.100.0/avogadro/rendering/mesh_fs.glsl000066400000000000000000000006621474375334400224350ustar00rootroot00000000000000varying vec3 fnormal; void main() { vec3 N = normalize(fnormal); vec3 L = normalize(vec3(0, 1, 1)); vec3 E = vec3(0, 0, 1); vec3 H = normalize(L + E); float df = max(0.0, dot(N, L)); float sf = max(0.0, dot(N, H)); sf = pow(sf, 20.0); vec4 ambient = gl_Color / 3.0; vec4 diffuse = gl_Color; vec4 specular = gl_Color * 3.0; gl_FragColor = ambient + df * diffuse + sf * specular; gl_FragColor.a = gl_Color.a; } avogadrolibs-1.100.0/avogadro/rendering/mesh_opaque_fs.glsl000066400000000000000000000006721474375334400240100ustar00rootroot00000000000000varying vec3 fnormal; void main() { vec3 N = normalize(fnormal); vec3 L = normalize(vec3(0, 1, 1)); vec3 E = vec3(0, 0, 1); vec3 H = normalize(L + E); float df = max(0.0, dot(N, -L)); float sf = max(0.0, dot(N, -H)); sf = pow(sf, 32.0); vec4 ambient = gl_Color / 2.2; vec4 diffuse = gl_Color * 1.1; vec4 specular = gl_Color * 5.0; gl_FragColor = ambient + df * diffuse + sf * specular; gl_FragColor.a = gl_Color.a; } avogadrolibs-1.100.0/avogadro/rendering/mesh_vs.glsl000066400000000000000000000004611474375334400224520ustar00rootroot00000000000000attribute vec4 vertex; attribute vec4 color; attribute vec3 normal; uniform mat4 modelView; uniform mat4 projection; uniform mat3 normalMatrix; varying vec3 fnormal; void main() { gl_FrontColor = color; gl_Position = projection * modelView * vertex; fnormal = normalize(normalMatrix * normal); } avogadrolibs-1.100.0/avogadro/rendering/meshgeometry.cpp000066400000000000000000000205071474375334400233420ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "meshgeometry.h" #include "avogadrogl.h" #include "bufferobject.h" #include "camera.h" #include "scene.h" #include "shader.h" #include "shaderprogram.h" #include "visitor.h" #include #include #include #include #include namespace { #include "mesh_fs.h" #include "mesh_opaque_fs.h" #include "mesh_vs.h" } // namespace using Avogadro::Vector3f; using Avogadro::Vector3ub; using Avogadro::Vector4ub; using std::cout; using std::endl; namespace Avogadro::Rendering { const unsigned int MeshGeometry::InvalidIndex = std::numeric_limits::max(); class MeshGeometry::Private { public: Private() {} BufferObject vbo; BufferObject ibo; inline static Shader* vertexShader = nullptr; inline static Shader* fragmentShader = nullptr; inline static Shader* fragmentShaderOpaque = nullptr; inline static ShaderProgram* program = nullptr; inline static ShaderProgram* programOpaque = nullptr; size_t numberOfVertices; size_t numberOfIndices; }; MeshGeometry::MeshGeometry() : m_color(255, 0, 0), m_opacity(255), m_dirty(false), d(new Private) {} MeshGeometry::MeshGeometry(const MeshGeometry& other) : Drawable(other), m_vertices(other.m_vertices), m_indices(other.m_indices), m_color(other.m_color), m_opacity(other.m_opacity), m_dirty(true), // Force rendering internals to be rebuilt d(new Private) {} MeshGeometry::~MeshGeometry() { delete d; } void MeshGeometry::accept(Visitor& visitor) { visitor.visit(*this); } void MeshGeometry::update() { if (m_vertices.empty() || m_indices.empty()) return; // Check if the VBOs are ready, if not get them ready. if (!d->vbo.ready() || m_dirty) { d->vbo.upload(m_vertices, BufferObject::ArrayBuffer); d->ibo.upload(m_indices, BufferObject::ElementArrayBuffer); d->numberOfVertices = m_vertices.size(); d->numberOfIndices = m_indices.size(); m_dirty = false; } // Build and link the shader if it has not been used yet. if (d->vertexShader == nullptr) { d->vertexShader = new Shader; d->vertexShader->setType(Shader::Vertex); d->vertexShader->setSource(mesh_vs); d->fragmentShader = new Shader; d->fragmentShader->setType(Shader::Fragment); d->fragmentShader->setSource(mesh_fs); d->fragmentShaderOpaque = new Shader; d->fragmentShaderOpaque->setType(Shader::Fragment); d->fragmentShaderOpaque->setSource(mesh_opaque_fs); if (!d->vertexShader->compile()) cout << d->vertexShader->error() << endl; if (!d->fragmentShader->compile()) cout << d->fragmentShader->error() << endl; if (!d->fragmentShaderOpaque->compile()) cout << d->fragmentShaderOpaque->error() << endl; if (d->program == nullptr) d->program = new ShaderProgram; d->program->attachShader(*d->vertexShader); d->program->attachShader(*d->fragmentShader); if (!d->program->link()) cout << d->program->error() << endl; if (d->programOpaque == nullptr) d->programOpaque = new ShaderProgram; d->programOpaque->attachShader(*d->vertexShader); d->programOpaque->attachShader(*d->fragmentShaderOpaque); if (!d->programOpaque->link()) cout << d->programOpaque->error() << endl; } } void MeshGeometry::render(const Camera& camera) { if (m_indices.empty() || m_vertices.empty()) return; // Prepare the VBOs, IBOs and shader program if necessary. update(); ShaderProgram* program; // If the mesh is opaque, use the opaque shader if (m_opacity != 255) program = d->program; else program = d->programOpaque; if (!program->bind()) cout << program->error() << endl; d->vbo.bind(); d->ibo.bind(); // Set up our attribute arrays. if (!program->enableAttributeArray("vertex")) cout << program->error() << endl; if (!program->useAttributeArray("vertex", PackedVertex::vertexOffset(), sizeof(PackedVertex), FloatType, 3, ShaderProgram::NoNormalize)) { cout << program->error() << endl; } if (!program->enableAttributeArray("color")) cout << program->error() << endl; if (!program->useAttributeArray("color", PackedVertex::colorOffset(), sizeof(PackedVertex), UCharType, 4, ShaderProgram::Normalize)) { cout << program->error() << endl; } if (!program->enableAttributeArray("normal")) cout << program->error() << endl; if (!program->useAttributeArray("normal", PackedVertex::normalOffset(), sizeof(PackedVertex), FloatType, 3, ShaderProgram::NoNormalize)) { cout << program->error() << endl; } // Set up our uniforms (model-view and projection matrices right now). if (!program->setUniformValue("modelView", camera.modelView().matrix())) { cout << program->error() << endl; } if (!program->setUniformValue("projection", camera.projection().matrix())) { cout << program->error() << endl; } Matrix3f normalMatrix = camera.modelView().linear().inverse().transpose(); if (!program->setUniformValue("normalMatrix", normalMatrix)) std::cout << program->error() << std::endl; // Render the loaded spheres using the shader and bound VBO. glDrawRangeElements(GL_TRIANGLES, 0, static_cast(d->numberOfVertices - 1), static_cast(d->numberOfIndices), GL_UNSIGNED_INT, reinterpret_cast(0)); d->vbo.release(); d->ibo.release(); program->disableAttributeArray("vector"); program->disableAttributeArray("color"); program->disableAttributeArray("normal"); program->release(); } unsigned int MeshGeometry::addVertices(const Core::Array& v, const Core::Array& n, const Core::Array& c) { if (v.size() != n.size() || n.size() != c.size()) return InvalidIndex; size_t result = m_vertices.size(); auto vIter = v.begin(); auto vEnd = v.end(); auto nIter = n.begin(); auto cIter = c.begin(); while (vIter != vEnd) m_vertices.push_back(PackedVertex(*(cIter++), *(nIter++), *(vIter++))); m_dirty = true; return static_cast(result); } unsigned int MeshGeometry::addVertices(const Core::Array& v, const Core::Array& n, const Core::Array& c) { if (v.size() != n.size() || n.size() != c.size()) return InvalidIndex; size_t result = m_vertices.size(); auto vIter = v.begin(); auto vEnd = v.end(); auto nIter = n.begin(); auto cIter = c.begin(); Vector4ub tmpColor(0, 0, 0, m_opacity); while (vIter != vEnd) { tmpColor.head<3>() = *(cIter++); m_vertices.push_back(PackedVertex(tmpColor, *(nIter++), *(vIter++))); } m_dirty = true; return static_cast(result); } unsigned int MeshGeometry::addVertices(const Core::Array& v, const Core::Array& n) { if (v.size() != n.size()) return InvalidIndex; size_t result = m_vertices.size(); auto vIter = v.begin(); auto vEnd = v.end(); auto nIter = n.begin(); const Vector4ub tmpColor(m_color[0], m_color[1], m_color[2], m_opacity); while (vIter != vEnd) m_vertices.push_back(PackedVertex(tmpColor, *(nIter++), *(vIter++))); m_dirty = true; return static_cast(result); } void MeshGeometry::addTriangle( size_t index1, size_t index2, size_t index3) { m_indices.push_back(index1); m_indices.push_back(index2); m_indices.push_back(index3); m_dirty = true; } void MeshGeometry::addTriangles(const Core::Array& indiceArray) { m_indices.reserve(m_indices.size() + indiceArray.size()); std::copy(indiceArray.begin(), indiceArray.end(), std::back_inserter(m_indices)); m_dirty = true; } void MeshGeometry::clear() { m_vertices.clear(); m_indices.clear(); m_dirty = true; } } // End namespace Avogadro avogadrolibs-1.100.0/avogadro/rendering/meshgeometry.h000066400000000000000000000123411474375334400230040ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_MESHGEOMETRY_H #define AVOGADRO_RENDERING_MESHGEOMETRY_H #include "drawable.h" #include namespace Avogadro { namespace Rendering { /** * @class MeshGeometry meshgeometry.h * @brief The MeshGeometry is used for triangle mesh geometry. * @author Marcus D. Hanwell */ class AVOGADRORENDERING_EXPORT MeshGeometry : public Drawable { public: struct PackedVertex { Vector4ub color; // 4 bytes Vector3f normal; // 12 bytes Vector3f vertex; // 12 bytes unsigned char padding[4]; // 4 bytes PackedVertex(const Vector4ub& c, const Vector3f& n, const Vector3f& v) : color(c) , normal(n) , vertex(v) {} static int colorOffset() { return 0; } static int normalOffset() { return static_cast(sizeof(Vector4ub)); } static int vertexOffset() { return normalOffset() + static_cast(sizeof(Vector3f)); } }; // 32 bytes total size - 16/32/64 are ideal for alignment. static const unsigned int InvalidIndex; MeshGeometry(); MeshGeometry(const MeshGeometry& other); ~MeshGeometry() override; MeshGeometry& operator=(MeshGeometry); friend void swap(MeshGeometry& lhs, MeshGeometry& rhs); /** * Accept a visit from our friendly visitor. */ void accept(Visitor&) override; /** * @brief Render the mesh geometry. * @param camera The current camera to be used for rendering. */ void render(const Camera& camera) override; /** * Add vertices to the object. Note that this just adds vertices to the * object. Use addTriangles with size_t indices to actually draw them. * @param vertices The 3D vertex points to add to the drawable. * @param normals The normal direction at the vertex. * @param colors Vertex color. If not specified, use the current color() and * opacity(). If the 3 component color is set, the current opacity() is used. * @note All arrays must be the same length, or this function call will fail, * returning InvalidIndex. * @return The index of the first vertex added by this call, used to specify * element arrays for the actual triangles. * @{ */ unsigned int addVertices(const Core::Array& vertices, const Core::Array& normals, const Core::Array& colors); unsigned int addVertices(const Core::Array& vertices, const Core::Array& normals, const Core::Array& colors); unsigned int addVertices(const Core::Array& vertices, const Core::Array& normals); /** @} */ /** * Add triangles to the mesh. Triangles are specified as 3-tuples of vertex * indices. Must call addVertices first, and use the return value to obtain * the valid index range. * @{ */ void addTriangle( size_t index1, size_t index2, size_t index3); void addTriangles(const Core::Array& indices); /** @} */ /** * Clear the contents of the node. */ void clear() override; /** * Get the number of vertices. */ size_t vertexCount() const { return m_vertices.size(); } /** * Get the number of vertices. */ size_t indexCount() const { return m_indices.size(); } /** * Get the number of triangles. */ size_t triangleCount() const { return m_indices.size() / 3; } /** * The default color of the mesh. This is used to set the color of new * vertices when no explicit vertex color is specified. * @{ */ void setColor(const Vector3ub& c) { m_color = c; } Vector3ub color() const { return m_color; } /** @} */ /** * The default opacity of the mesh. This is used when either no explicit * vertex color is specified, or a three component color is used. * @{ */ void setOpacity(unsigned char opacity_) { m_opacity = opacity_; } unsigned char opacity() const { return m_opacity; } /** @} */ Core::Array vertices() { return m_vertices; } Core::Array triangles() { return m_indices; } private: /** * @brief Update the VBOs, IBOs etc ready for rendering. */ void update(); Core::Array m_vertices; Core::Array m_indices; Vector3ub m_color; unsigned char m_opacity; bool m_dirty; class Private; Private* d; }; inline MeshGeometry& MeshGeometry::operator=(MeshGeometry other) { using std::swap; swap(*this, other); return *this; } inline void swap(MeshGeometry& lhs, MeshGeometry& rhs) { using std::swap; swap(static_cast(lhs), static_cast(rhs)); swap(lhs.m_vertices, rhs.m_vertices); swap(lhs.m_indices, rhs.m_indices); swap(lhs.m_color, rhs.m_color); swap(lhs.m_opacity, rhs.m_opacity); lhs.m_dirty = rhs.m_dirty = true; } } // End namespace Rendering } // End namespace Avogadro #endif // AVOGADRO_RENDERING_MESHGEOMETRY_H avogadrolibs-1.100.0/avogadro/rendering/node.cpp000066400000000000000000000010031474375334400215450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "node.h" namespace Avogadro::Rendering { Node::Node() : m_parent(nullptr), m_visible(true) { } Node::~Node() { } void Node::setParent(GroupNode* parent_) { m_parent = parent_; } } // End namespace Avogadro avogadrolibs-1.100.0/avogadro/rendering/node.h000066400000000000000000000043111474375334400212170ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_NODE_H #define AVOGADRO_RENDERING_NODE_H #include "avogadrorenderingexport.h" #include namespace Avogadro { namespace Rendering { class GroupNode; class Visitor; /** * @class Node node.h * @brief The Node class is the base class for all items in the scene. * @author Marcus D. Hanwell * * The Node class is the base class for nodes in the Scene, providing common * API and functionality. */ class AVOGADRORENDERING_EXPORT Node { public: Node(); virtual ~Node(); /** * Accept a visit from our friendly visitor. */ virtual void accept(Visitor&) { return; } /** * @brief Get a pointer to the node's parent. * @return Pointer to the parent node, nullptr if no parent. */ const GroupNode* parent() const { return m_parent; } GroupNode* parent() { return m_parent; } /** * @brief Set the visibility of the node. * @param visibility True if the node is visible, false if invisible. */ void setVisible(bool visibility) { m_visible = visibility; } /** * @brief Get the current visibility of the node. * @return True if visible. */ bool isVisible() const { return m_visible; } /** * @brief Attempt to dynamic_cast to specified node type. * @return Valid pointer to specified type, or null. */ template T* cast(); template const T* cast() const; protected: friend class GroupNode; /** * @brief Set the parent node for the node. * @param parent The parent, a value of nullptr denotes no parent node. */ void setParent(GroupNode* parent); GroupNode* m_parent; bool m_visible; }; template T* Node::cast() { return dynamic_cast(this); } template const T* Node::cast() const { return dynamic_cast(this); } } // End namespace Rendering } // End namespace Avogadro #endif // AVOGADRO_RENDERING_NODE_H avogadrolibs-1.100.0/avogadro/rendering/plyvisitor.cpp000066400000000000000000000346401474375334400230610ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "plyvisitor.h" namespace Avogadro::Rendering { using std::string; using std::vector; using std::ostringstream; using std::ostream; using std::ofstream; namespace { ostream& operator<<(ostream& os, const Vector3f& v) { os << v[0] << " " << v[1] << " " << v[2]; return os; } ostream& operator<<(ostream& os, const Vector3ub& color) { //PLY expects same number of parameters every time, so if no alpha given use 1 os << color[0] / 255.0f << " " << color[1] / 255.0f << " " << color[2] / 255.0f << " " << 1; return os; } ostream& operator<<(ostream& os, const Vector4ub& color) { os << color[0] / 255.0f << " " << color[1] / 255.0f << " " << color[2] / 255.0f << " " << color[3] / 255.0f; return os; } } PLYVisitor::PLYVisitor(const Camera& c) : m_camera(c), m_backgroundColor(255, 255, 255), m_ambientColor(100, 100, 100), m_aspectRatio(800.0f / 600.0f) { } PLYVisitor::~PLYVisitor() { } void PLYVisitor::begin() { } string PLYVisitor::end() { //Adds the PLY header after the final counts are known ostringstream header; //Header format header << "ply" << '\n' << "format ascii 1.0" << '\n' << "element vertex " << m_vertexCount << '\n' << "property float x" << '\n' << "property float y" << '\n' << "property float z" << '\n' << "property float red" << '\n' << "property float green" << '\n' << "property float blue" << '\n' << "property float alpha" << '\n' << "element face " << m_faceCount << '\n' << "property list uchar uint vertex_index" << '\n' << "end_header" << '\n'; //Add the vertices and faces return header.str() + m_sceneVertices + m_sceneFaces; } void PLYVisitor::visit(Drawable&) { } void PLYVisitor::visit(SphereGeometry& geometry) { for (const auto& s : geometry.spheres()) { // Uses an Icosphere method (logic and new functions could be added here to pick different methods) visitSphereIcosphereRecursionMethod(s, 5); } } void PLYVisitor::visitSphereIcosphereRecursionMethod(const SphereColor& sphere, unsigned int subdivisions) { Vector3f center = sphere.center; float radius = sphere.radius; //Defines an Icosahedron Vertices and Faces float phi = (1.0f + sqrt(5.0f)) / 2.0f; float a = 1.0f; float b = 1.0f / phi; vector vertices = { Vector3f(0, b, -a), Vector3f(b, a, 0), Vector3f(-b, a, 0), Vector3f(0, b, a), Vector3f(0, -b, a), Vector3f(-a, 0, b), Vector3f(0, -b, -a), Vector3f(a, 0, -b), Vector3f(a, 0, b), Vector3f(-a, 0, -b), Vector3f(b, -a, 0), Vector3f(-b, -a, 0) }; //Local Indexes for the faces vector> faces = { vector{ 2, 1, 0 }, vector{ 1, 2, 3 }, vector{ 5, 4, 3 }, vector{ 4, 8, 3 }, vector{ 7, 6, 0 }, vector{ 6, 9, 0 }, vector{ 11, 10, 4 }, vector{ 10, 11, 6 }, vector{ 9, 5, 2 }, vector{ 5, 9, 11 }, vector{ 8, 7, 1 }, vector{ 7, 8, 10 }, vector{ 2, 5, 3 }, vector{ 8, 1, 3 }, vector{ 9, 2, 0 }, vector{ 1, 7, 0 }, vector{11, 9, 6 }, vector{ 7, 10, 6 }, vector{ 5, 11, 4 }, vector{ 10, 8, 4 } }; //For every subdivision for (unsigned int i = 0; i < subdivisions; ++i) { //Prerecord face size so doesn't change mid loop int facesSize = faces.size(); //For every face for (int j = 0; j < facesSize; ++j) { //Face vertices Vector3f faceVertexOne(vertices.at(faces.at(j).at(0))); Vector3f faceVertexTwo(vertices.at(faces.at(j).at(1))); Vector3f faceVertexThree(vertices.at(faces.at(j).at(2))); unsigned int faceIndexOne = faces.at(j).at(0); unsigned int faceIndexTwo = faces.at(j).at(1); unsigned int faceIndexThree = faces.at(j).at(2); //Get the vertex at the midpoint between One and Two and its Index Vector3f vertexOneTwo((faceVertexOne[0] + faceVertexTwo[0]) / 2.0f, (faceVertexOne[1] + faceVertexTwo[1]) / 2.0f, (faceVertexOne[2] + faceVertexTwo[2]) / 2.0f); unsigned int indexOneTwo = vertices.size(); vertices.push_back(vertexOneTwo); //Get the vertex at the midpoint between Two and Three and its Index Vector3f vertexTwoThree((faceVertexTwo[0] + faceVertexThree[0]) / 2.0f, (faceVertexTwo[1] + faceVertexThree[1]) / 2.0f, (faceVertexTwo[2] + faceVertexThree[2]) / 2.0f); unsigned int indexTwoThree = vertices.size(); vertices.push_back(vertexTwoThree); //Get the vertex at the midpoint between One and Three and its Index Vector3f vertexOneThree((faceVertexOne[0] + faceVertexThree[0]) / 2.0f, (faceVertexOne[1] + faceVertexThree[1]) / 2.0f, (faceVertexOne[2] + faceVertexThree[2]) / 2.0f); unsigned int indexOneThree = vertices.size(); vertices.push_back(vertexOneThree); //Replace the original face with one new face and push the others to the back vector subdividedFaceOne = { faceIndexOne, indexOneTwo, indexOneThree }; vector subdividedFaceTwo = { faceIndexTwo, indexTwoThree, indexOneTwo }; vector subdividedFaceThree = { faceIndexThree, indexOneThree, indexTwoThree }; vector subdividedFaceFour = { indexOneTwo, indexTwoThree, indexOneThree }; faces.at(j) = subdividedFaceOne; faces.push_back(subdividedFaceTwo); faces.push_back(subdividedFaceThree); faces.push_back(subdividedFaceFour); } } ostringstream vertexStr; ostringstream faceStr; //Project every vertex onto the sphere and record it for (unsigned int i = 0; i < vertices.size(); ++i) { //Normalize the vertex and then project it float x = vertices.at(i)[0]; float y = vertices.at(i)[1]; float z = vertices.at(i)[2]; float distance = sqrt(pow(x, 2.0f) + pow(y, 2.0f) + pow(z, 2.0f)); vertices.at(i)[0] = (x / distance) * radius; vertices.at(i)[1] = (y / distance) * radius; vertices.at(i)[2] = (z / distance) * radius; //Adjust to be around sphere's radius vertices.at(i)[0] += center[0]; vertices.at(i)[1] += center[1]; vertices.at(i)[2] += center[2]; //Add the vertex vertexStr << vertices.at(i) << " " << sphere.color << '\n'; } //Adjust every face to have indices for the PLY file and add it for (unsigned int i = 0; i < faces.size(); ++i) { faceStr << 3 << " " << faces.at(i)[0] + m_vertexCount << " " << faces.at(i)[1] + m_vertexCount << " " << faces.at(i)[2] + m_vertexCount << '\n'; } //Adjust the counts and add the new vertices and faces m_vertexCount += vertices.size(); m_faceCount += faces.size(); m_sceneVertices += vertexStr.str(); m_sceneFaces += faceStr.str(); } void PLYVisitor::visit(AmbientOcclusionSphereGeometry&) { } void PLYVisitor::visit(CylinderGeometry& geometry) { for (const auto& c : geometry.cylinders()) { // Uses an Icosphere method (logic and new functions could be added here to pick different methods) visitCylinderLateralMethod(c, 20); } } void PLYVisitor::visitCylinderLateralMethod(const CylinderColor& geometry, unsigned int lateralFaces) { ostringstream vertexStr; ostringstream faceStr; //Add each end of the cylinder to the vertices Vector3f end1 = geometry.end1; Vector3f end2 = geometry.end2; vertexStr << end1 << " " << geometry.color << '\n'; vertexStr << end2 << " " << geometry.color << '\n'; m_vertexCount += 2; //Radius and the length vector of cylinder float radius = geometry.radius; float length = sqrt(pow(end1[0] - end2[0], 2.0f) + pow(end1[1] - end2[1], 2.0f) + pow(end1[2] - end2[2], 2.0f)); //Normalize the plane vector of the cylinder Vector3f normalVector((end1[0] - end2[0]) / length, (end1[1] - end2[1]) / length, (end1[2] - end2[2]) / length); //Find a basis vector orthogonal to the plane vector Vector3f u; //If the Plane Vector doesn't point entirely in the y direction if (normalVector[1] != 1.0f) { //Choose a orthogonal vector for the y-axis (if plane vector points entirely in y, this will be 0-vector) u[0] = normalVector[2]; u[1] = 0; u[2] = -1 * normalVector[0]; } //Otherwise, must use different orthogonal vector since y-axis one would be 0-vector else { u[0] = 0; u[1] = normalVector[2]; u[2] = -1 * normalVector[1]; } //Length of u vector float uLength = sqrt(pow(u[0], 2.0f) + pow(u[1], 2.0f) + pow(u[2], 2.0f)); //Normalize the vector u[0] /= uLength; u[1] /= uLength; u[2] /= uLength; //Find the other basis vector orthogonal to the plane vector via u x v = normalVector Vector3f v; v[0] = normalVector[1] * u[2] - normalVector[2] * u[1]; v[1] = normalVector[2] * u[0] - normalVector[0] * u[2]; v[2] = normalVector[0] * u[1] - normalVector[1] * u[0]; //Angle between each lateral face float baseAngle = 2 * 3.14159265359 / lateralFaces; //Find the vertices and faces for each lateral face for (unsigned int i = 0; i < lateralFaces; ++i) { //Current angle float angle = baseAngle * i; //Code works by assuming there are 2 * lateralFaces vertices in the cylinder (not including the ends). //i corresponds to the lateral face number, to which there are two corresponding vertices (top and bottom). //Place the top and bottom lateral face vertex into the file (p = center + R*(u*cos(a) + v*sin(a))) vertexStr << Vector3f(end1[0] + radius * u[0] * cos(angle) + radius * v[0] * sin(angle), end1[1] + radius * u[1] * cos(angle) + radius * v[1] * sin(angle), end1[2] + radius * u[2] * cos(angle) + radius * v[2] * sin(angle)) << " " << geometry.color << '\n'; vertexStr << Vector3f(end2[0] + radius * u[0] * cos(angle) + radius * v[0] * sin(angle), end2[1] + radius * u[1] * cos(angle) + radius * v[1] * sin(angle), end2[2] + radius * u[2] * cos(angle) + radius * v[2] * sin(angle)) << " " << geometry.color << '\n'; //Code then needs to create the two lateral faces these vertices create with the next vertices //2 * i gives the index of the first vertex, plus 1 for second vertex, plus 2 or 3 for next faces vertex //Modulo included for +2 or +3 to prevent going out of bounds //Lateral face made up of the next face's first vertex, first vertex, and second vertex faceStr << 3 << " " << (2 * i + 2) % (2 * lateralFaces) + m_vertexCount << " " << 2 * i + m_vertexCount << " " << 2 * i + 1 + m_vertexCount << '\n'; //Lateral face made up of next face's first vertex, second vertex, and next face's second vertex faceStr << 3 << " " << (2 * i + 2) % (2 * lateralFaces) + m_vertexCount << " " << 2 * i + 1 + m_vertexCount << " " << (2 * i + 3) % (2 * lateralFaces) + m_vertexCount << '\n'; //Code needs to deal with faces on top and bottom of cylinder //To turn local indices to the indices of the PLY file, -2 is used for end1 and -1 is used for end2 //Top face made up of end1, first vertex, and next face's first vertex faceStr << 3 << " " << -2 + m_vertexCount << " " << 2 * i + m_vertexCount << " " << (2 * i + 2) % (2 * lateralFaces) + m_vertexCount << '\n'; //Bottom face made up of next face's second vertex, second vertex, and end2 faceStr << 3 << " " << (2 * i + 3) % (2 * lateralFaces) + m_vertexCount << " " << 2 * i + 1 + m_vertexCount << " " << -1 + m_vertexCount << '\n'; } //Adjust the counts and add the new vertices and faces m_vertexCount += 2 * lateralFaces; m_faceCount += 4 * lateralFaces; m_sceneVertices += vertexStr.str(); m_sceneFaces += faceStr.str(); } void PLYVisitor::visit(MeshGeometry& geometry) { Core::Array v = geometry.vertices(); Core::Array tris = geometry.triangles(); ostringstream vertexStr; ostringstream faceStr; //Record every vertex in the mesh for (size_t i = 0; i < v.size(); ++i) { vertexStr << v[i].vertex << " " << v[i].color << '\n'; } //Record every face and adjust the indices for (size_t i = 0; i < tris.size(); i += 3) { faceStr << 3 << " " << tris[i] + m_vertexCount << " " << tris[i + 1] + m_vertexCount << " " << tris[i + 2] + m_vertexCount << '\n'; } //Adjust the counts and add the vertices and faces //I think the vertex order on the meshes are messed up for the Coordinate System Mesh resulting in //mismatched normals, since my code shouldn't be doing anything to it. m_vertexCount += v.size(); m_faceCount += tris.size() / 3; m_sceneVertices += vertexStr.str(); m_sceneFaces += faceStr.str(); } void PLYVisitor::visit(LineStripGeometry&) { } } // End namespace Avogadro avogadrolibs-1.100.0/avogadro/rendering/plyvisitor.h000066400000000000000000000051211474375334400225160ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_PLYVISITOR_H #define AVOGADRO_RENDERING_PLYVISITOR_H #include "visitor.h" #include "avogadrorendering.h" #include "spheregeometry.h" #include "cylindergeometry.h" #include "ambientocclusionspheregeometry.h" #include "linestripgeometry.h" #include "meshgeometry.h" #include "camera.h" #include #include #include #include namespace Avogadro { namespace Rendering { /** * @class PLYVisitor plyvisitor.h * @brief Visitor that visits scene elements and creates a PLY input file. * * This visitor will render elements in the scene to a text file that contains * elements that can be rendered as PLY. */ class AVOGADRORENDERING_EXPORT PLYVisitor : public Visitor { public: explicit PLYVisitor(const Camera& camera); ~PLYVisitor() override; void begin(); std::string end(); /** * The overloaded visit functions, the base versions of which do nothing. */ void visit(Node&) override { return; } void visit(GroupNode&) override { return; } void visit(GeometryNode&) override { return; } void visit(Drawable&) override; void visit(SphereGeometry&) override; void visit(AmbientOcclusionSphereGeometry&) override; void visit(CurveGeometry&) override { return; } void visit(CylinderGeometry&) override; void visit(MeshGeometry&) override; void visit(TextLabel2D&) override { return; } void visit(TextLabel3D&) override { return; } void visit(LineStripGeometry& geometry) override; void setCamera(const Camera& c) { m_camera = c; } Camera camera() const { return m_camera; } void setBackgroundColor(const Vector3ub& c) { m_backgroundColor = c; } void setAmbientColor(const Vector3ub& c) { m_ambientColor = c; } void setAspectRatio(float ratio) { m_aspectRatio = ratio; } private: Camera m_camera; Vector3ub m_backgroundColor; Vector3ub m_ambientColor; float m_aspectRatio; long m_vertexCount = 0; long m_faceCount = 0; std::string m_sceneVertices = ""; std::string m_sceneFaces = ""; void visitSphereIcosphereRecursionMethod(const SphereColor& geometry, unsigned int subdivisions); void visitCylinderLateralMethod(const CylinderColor& geometry, unsigned int lateralFaces); }; } // End namespace Rendering } // End namespace Avogadro #endif // AVOGADRO_RENDERING_PLYVISITOR_H avogadrolibs-1.100.0/avogadro/rendering/povrayvisitor.cpp000066400000000000000000000127241474375334400235740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "povrayvisitor.h" #include "ambientocclusionspheregeometry.h" #include "cylindergeometry.h" #include "linestripgeometry.h" #include "meshgeometry.h" #include "spheregeometry.h" #include #include namespace Avogadro::Rendering { using std::ofstream; using std::ostream; using std::ostringstream; using std::string; namespace { ostream& operator<<(ostream& os, const Vector3f& v) { os << v[0] << ", " << v[1] << ", " << v[2]; return os; } ostream& operator<<(ostream& os, const Vector3ub& color) { os << color[0] / 255.0f << ", " << color[1] / 255.0f << ", " << color[2] / 255.0f; return os; } } // namespace POVRayVisitor::POVRayVisitor(const Camera& c) : m_camera(c), m_backgroundColor(255, 255, 255), m_ambientColor(100, 100, 100), m_aspectRatio(800.0f / 600.0f) { } POVRayVisitor::~POVRayVisitor() {} void POVRayVisitor::begin() { // Initialise our POV-Ray scene // The POV-Ray camera basically has the same matrix elements - we just need to // translate // FIXME Still working on getting the translation to POV-Ray right... Vector3f cameraT = -(m_camera.modelView().linear().adjoint() * m_camera.modelView().translation()); Vector3f cameraX = m_camera.modelView().linear().row(0).transpose().normalized(); Vector3f cameraY = m_camera.modelView().linear().row(1).transpose().normalized(); Vector3f cameraZ = -m_camera.modelView().linear().row(2).transpose().normalized(); double huge = 100; Vector3f light0pos = huge * (m_camera.modelView().linear().adjoint() * Vector3f(0, 1, 0)); // Output the POV-Ray initialisation code ostringstream str; str << "global_settings {\n" << "\tambient_light rgb <" << m_ambientColor << ">\n" << "\tmax_trace_level 15\n}\n\n" << "background { color rgb <" << m_backgroundColor << "> }\n\n" << "camera {\n" << "\tperspective\n" << "\tlocation <" << cameraT.x() << ", " << cameraT.y() << ", " << cameraT.z() << ">\n" << "\tangle 70\n" << "\tup <" << cameraY.x() << ", " << cameraY.y() << ", " << cameraY.z() << ">\n" << "\tright <" << cameraX.x() << ", " << cameraX.y() << ", " << cameraX.z() << "> * " << m_aspectRatio << '\n' << "\tdirection <" << cameraZ.x() << ", " << cameraZ.y() << ", " << cameraZ.z() << "> }\n\n" << "light_source {\n" << "\t<" << light0pos[0] << ", " << light0pos[1] << ", " << light0pos[2] << ">\n" << "\tcolor rgb <1.0, 1.0, 1.0>\n" << "\tfade_distance " << 2 * huge << '\n' << "\tfade_power 0\n" << "\tparallel\n" << "\tpoint_at <" << -light0pos[0] << ", " << -light0pos[1] << ", " << -light0pos[2] << ">\n" << "}\n\n" << "#default {\n\tfinish {ambient .8 diffuse 1 specular 1 roughness .005 " "metallic 0.5}\n}\n\n"; m_sceneData = str.str(); } string POVRayVisitor::end() { return m_sceneData; } void POVRayVisitor::visit(Drawable&) { return; } void POVRayVisitor::visit(SphereGeometry& geometry) { ostringstream str; for (const auto& s : geometry.spheres()) { str << "sphere {\n\t<" << s.center << ">, " << s.radius << "\n\tpigment { rgbt <" << s.color << ", 0.0> }\n}\n"; } m_sceneData += str.str(); } void POVRayVisitor::visit(AmbientOcclusionSphereGeometry&) {} void POVRayVisitor::visit(CylinderGeometry& geometry) { ostringstream str; for (const auto& c : geometry.cylinders()) { str << "cylinder {\n" << "\t<" << c.end1 << ">,\n" << "\t<" << c.end2 << ">, " << c.radius << "\n\tpigment { rgbt <" << c.color << ", 0.0> }\n}\n"; } m_sceneData += str.str(); } void POVRayVisitor::visit(MeshGeometry& geometry) { ostringstream str; str << "mesh2 {\n"; Core::Array v = geometry.vertices(); Core::Array tris = geometry.triangles(); str << "vertex_vectors{" << v.size() << ",\n"; for (size_t i = 0; i < v.size(); ++i) { str << "<" << v[i].vertex << ">,"; if (i != 0 && i % 3) str << "\n"; } str << "\n}\n"; str << "normal_vectors{" << v.size() << ",\n"; for (size_t i = 0; i < v.size(); ++i) { str << "<" << v[i].normal << ">,"; if (i != 0 && i % 3) str << "\n"; } str << "\n}\n"; str << "texture_list{" << v.size() << ",\n"; float r = 0.0; float g = 0.0; float b = 0.0; float t = 1.0 - geometry.opacity() / 255.0; for (auto& i : v) { r = i.color[0] / 255.0; g = i.color[1] / 255.0; b = i.color[2] / 255.0; str << "texture{pigment{rgbt<" << r << ", " << g << ", " << b << "," << t << ">}}\n"; } str << "\n}\n"; str << "face_indices{" << tris.size() / 3 << ",\n"; for (size_t i = 0; i < tris.size(); i += 3) { str << "<" << tris[i] << "," << tris[i + 1] << "," << tris[i + 2] << ">"; // this represents the texture color from the vertex str << ", " << (i / 3); if (i != tris.size() - 3) str << ", "; if (i != 0 && ((i + 1) / 3) % 3 == 0) str << '\n'; } str << "\n}\n"; str << "\tpigment { rgbt <" << r << ", " << g << "," << b << "," << t << "> }\n" << "}\n\n"; m_sceneData += str.str(); } void POVRayVisitor::visit(LineStripGeometry&) {} } // namespace Avogadro::Rendering avogadrolibs-1.100.0/avogadro/rendering/povrayvisitor.h000066400000000000000000000041651474375334400232410ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_POVRAYVISITOR_H #define AVOGADRO_RENDERING_POVRAYVISITOR_H #include "visitor.h" #include "avogadrorendering.h" #include "camera.h" #include namespace Avogadro { namespace Rendering { /** * @class POVRayVisitor povrayvisitor.h * @brief Visitor that visits scene elements and creates a POV-Ray input file. * * This visitor will render elements in the scene to a text file that contains * elements that can be rendered by POV-Ray. */ class AVOGADRORENDERING_EXPORT POVRayVisitor : public Visitor { public: POVRayVisitor(const Camera& camera); ~POVRayVisitor() override; void begin(); std::string end(); /** * The overloaded visit functions, the base versions of which do nothing. */ void visit(Node&) override { return; } void visit(GroupNode&) override { return; } void visit(GeometryNode&) override { return; } void visit(Drawable&) override; void visit(SphereGeometry&) override; void visit(AmbientOcclusionSphereGeometry&) override; void visit(CurveGeometry&) override { return; } void visit(CylinderGeometry&) override; void visit(MeshGeometry&) override; void visit(TextLabel2D&) override { return; } void visit(TextLabel3D&) override { return; } void visit(LineStripGeometry& geometry) override; void setCamera(const Camera& c) { m_camera = c; } Camera camera() const { return m_camera; } void setBackgroundColor(const Vector3ub& c) { m_backgroundColor = c; } void setAmbientColor(const Vector3ub& c) { m_ambientColor = c; } void setAspectRatio(float ratio) { m_aspectRatio = ratio; } private: Camera m_camera; Vector3ub m_backgroundColor; Vector3ub m_ambientColor; float m_aspectRatio; std::string m_sceneData; }; } // End namespace Rendering } // End namespace Avogadro #endif // AVOGADRO_RENDERING_POVRAYVISITOR_H avogadrolibs-1.100.0/avogadro/rendering/primitive.h000066400000000000000000000070411474375334400223050ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_PRIMITIVE_H #define AVOGADRO_RENDERING_PRIMITIVE_H #include namespace Avogadro { namespace Rendering { /** Identifies the type of object a primitive represents. */ enum Type { InvalidType = -1, AtomType, BondType }; /** Used to identify the primitive during picking. */ struct Identifier { Identifier() : molecule(0), type(InvalidType), index(MaxIndex) {} bool operator==(const Identifier& other) const { return molecule == other.molecule && type == other.type && index == other.index; } bool operator!=(const Identifier& other) const { return !operator==(other); } bool isValid() const { return type != InvalidType && molecule != nullptr; } const void* molecule; Type type; Index index; }; class Primitive { public: /** Identifies the type of object a primitive represents. */ enum Type { Invalid = -1, Atom, Bond }; /** Used to identify the primitive during picking. */ struct Identifier { Identifier() : molecule(0), type(Invalid), index(MaxIndex) {} bool operator==(const Identifier& other) const { return molecule == other.molecule && type == other.type && index == other.index; } bool operator!=(const Identifier& other) const { return !operator==(other); } bool isValid() const { return type != Invalid; } const void* molecule; Type type; Index index; }; Primitive(Identifier id, const Vector3ub& color_) : m_identifier(id), m_color(color_) { } Identifier identifier() const { return m_identifier; } void setIdentifier(Identifier id) { m_identifier = id; } const Vector3ub& color() const { return m_color; } void setColor(const Vector3ub& c) { m_color = c; } private: Identifier m_identifier; Vector3ub m_color; }; class Sphere : public Primitive { public: Sphere(const Vector3f& position_, float radius_, Primitive::Identifier id, const Vector3ub& color_) : Primitive(id, color_), m_position(position_), m_radius(radius_) { } const Vector3f& position() const { return m_position; } void setPosition(const Vector3f& pos) { m_position = pos; } float radius() const { return m_radius; } void setRadius(float r) { m_radius = r; } private: Vector3f m_position; float m_radius; }; class Cylinder : public Primitive { public: /// Direction must be normalized Cylinder(const Vector3f& position_, const Vector3f& direction_, float length_, float radius_, Primitive::Identifier id, const Vector3ub& color_) : Primitive(id, color_), m_position(position_), m_direction(direction_), m_length(length_), m_radius(radius_) { } const Vector3f& position() const { return m_position; } void setPosition(const Vector3f& pos) { m_position = pos; } const Vector3f& direction() const { return m_direction; } void setDirection(const Vector3f& dir) { m_direction = dir; } float length() const { return m_length; } void setLength(float l) { m_length = l; } float radius() const { return m_radius; } void setRadius(float r) { m_radius = r; } private: Vector3f m_position; Vector3f m_direction; float m_length; float m_radius; }; } // namespace Rendering } // namespace Avogadro #endif // AVOGADRO_RENDERING_PRIMITIVE_H avogadrolibs-1.100.0/avogadro/rendering/quad.cpp000066400000000000000000000021041474375334400215550ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "quad.h" using Avogadro::Core::Array; namespace Avogadro::Rendering { void Quad::setQuad(const Vector3f& topLeft, const Vector3f& topRight, const Vector3f& bottomLeft, const Vector3f& bottomRight) { const Vector3f bottom = bottomRight - bottomLeft; const Vector3f left = topLeft - bottomLeft; const Vector3f normal = bottom.cross(left).normalized(); Array norms(4, normal); Array verts(4); verts[0] = topLeft; verts[1] = topRight; verts[2] = bottomLeft; verts[3] = bottomRight; Array indices(6); indices[0] = 0; indices[1] = 1; indices[2] = 2; indices[3] = 2; indices[4] = 1; indices[5] = 3; clear(); addVertices(verts, norms); addTriangles(indices); } } // End namespace Avogadro::Rendering avogadrolibs-1.100.0/avogadro/rendering/quad.h000066400000000000000000000017721474375334400212340ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_QUAD_H #define AVOGADRO_RENDERING_QUAD_H #include "meshgeometry.h" #include namespace Avogadro { namespace Rendering { /** * @class Quad quad.h * * @brief The Quad class is a convenience class for creating a quadrilateral mesh. */ class AVOGADRORENDERING_EXPORT Quad : public MeshGeometry { public: Quad() {} ~Quad() override {} /** * @brief setQuad Set the four corners of the quad. */ void setQuad(const Vector3f& topLeft, const Vector3f& topRight, const Vector3f& bottomLeft, const Vector3f& bottomRight); }; } // End namespace Rendering } // End namespace Avogadro #endif // AVOGADRO_RENDERING_QUAD_H avogadrolibs-1.100.0/avogadro/rendering/quadoutline.cpp000066400000000000000000000014651474375334400231660ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "quadoutline.h" using Avogadro::Core::Array; namespace Avogadro::Rendering { void QuadOutline::setQuad(const Vector3f& topLeft, const Vector3f& topRight, const Vector3f& bottomLeft, const Vector3f& bottomRight, float lineWidth) { Array verts(5); verts[0] = topLeft; verts[1] = topRight; verts[2] = bottomRight; verts[3] = bottomLeft; verts[4] = topLeft; clear(); addLineStrip(verts, lineWidth); } } // End namespace Avogadro::Rendering avogadrolibs-1.100.0/avogadro/rendering/quadoutline.h000066400000000000000000000022061474375334400226250ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_QUADOUTLINE_H #define AVOGADRO_RENDERING_QUADOUTLINE_H #include "linestripgeometry.h" #include namespace Avogadro { namespace Rendering { /** * @class QuadOutline quadoutline.h * * @brief The QuadOutline class is a convenience class for creating a * quadrilateral outline as a LineStripGeometry. */ class AVOGADRORENDERING_EXPORT QuadOutline : public LineStripGeometry { public: QuadOutline() {} ~QuadOutline() override {} /** * @brief setQuad Set the four corners of the quad. */ void setQuad(const Vector3f& topLeft, const Vector3f& topRight, const Vector3f& bottomLeft, const Vector3f& bottomRight, float lineWidth); }; } // End namespace Rendering } // End namespace Avogadro #endif // AVOGADRO_RENDERING_QUADOUTLINE_H avogadrolibs-1.100.0/avogadro/rendering/scene.cpp000066400000000000000000000021411474375334400217210ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "scene.h" #include "geometryvisitor.h" #include namespace Avogadro::Rendering { Scene::Scene() : m_backgroundColor(0, 0, 0, 0), m_dirty(true), m_center(Vector3f::Zero()), m_radius(4.0f) { } Scene::~Scene() { } Vector3f Scene::center() { if (!m_dirty) return m_center; GeometryVisitor visitor; m_rootNode.accept(visitor); // For an empty scene ensure that a minimum radius of 4.0 (gives space). m_center = visitor.center(); m_radius = std::max(4.0f, visitor.radius()) + 2.0f; m_dirty = false; return m_center; } float Scene::radius() { if (!m_dirty) return m_radius; // We need to know where the center is to get the radius center(); return m_radius; } void Scene::clear() { m_rootNode.clear(); m_dirty = true; } } // namespace Avogadro::Rendering avogadrolibs-1.100.0/avogadro/rendering/scene.h000066400000000000000000000076711474375334400214030ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_SCENE_H #define AVOGADRO_RENDERING_SCENE_H #include "avogadrorenderingexport.h" #include "groupnode.h" #include "primitive.h" #include #include #include // For member variables. #include // For member variables. #include // For member variables. namespace Avogadro { namespace Core { class Molecule; } namespace Rendering { /** * @class Scene scene.h * @brief The Scene contains data ready to be rendered. * @author Marcus D. Hanwell * * A collection of geometric primitives ready for rendering. This is highly * targeted for fast rendering on modern OpenGL 2.1/ES 2.0 GPUs, but can also * be adapted and rendered using other approaches. */ /// Pack the vertex data into a contiguous array. struct ColorTextureVertex { Vector3f vertex; // 12 bytes Vector3ub color; // 3 bytes unsigned char unusedAlign; // 1 byte Vector2f textureCoord; // 8 bytes Vector2f textureCoord2; // 8 bytes ColorTextureVertex(const Vector3f& p, const Vector3ub& c, const Vector2f& t, const Vector2f& t2 = Vector2f::Zero()) : vertex(p), color(c), textureCoord(t), textureCoord2(t2) {} static int vertexOffset() { return 0; } static int colorOffset() { return static_cast(sizeof(Vector3f)); } static int textureCoordOffset() { return colorOffset() + static_cast(sizeof(Vector3ub) + sizeof(unsigned char)); } static int textureCoord2Offset() { return textureCoordOffset() + static_cast(sizeof(Vector2f)); } }; // 32 bytes total size - 16/32/64 are ideal for alignment. /// Pack the vertex data into a contiguous array. struct ColorNormalVertex { Vector3ub color; // 3 bytes unsigned char unusedAlign; // 1 byte Vector3f normal; // 12 bytes Vector3f vertex; // 12 bytes unsigned char padding[4]; // 4 bytes ColorNormalVertex() {} ColorNormalVertex(const Vector3ub& c, const Vector3f& n, const Vector3f& v) : color(c), normal(n), vertex(v) {} static int colorOffset() { return 0; } static int normalOffset() { return static_cast(sizeof(Vector3ub) + sizeof(unsigned char)); } static int vertexOffset() { return normalOffset() + static_cast(sizeof(Vector3f)); } }; // 32 bytes total size - 16/32/64 are ideal for alignment. class AVOGADRORENDERING_EXPORT Scene { public: Scene(); ~Scene(); /** Get the center of the points contained in this Scene. */ Vector3f center(); /** Get the radius, which is currently just the largest of the axis-aligned * components of the positions. */ float radius(); /** * Get the root node of the scene. */ GroupNode& rootNode() { return m_rootNode; } const GroupNode& rootNode() const { return m_rootNode; } /** * Set the background color of the scene (default is black). */ void setBackgroundColor(const Vector4ub& color) { m_backgroundColor = color; } /** * Get the background color of the scene. */ Vector4ub backgroundColor() const { return m_backgroundColor; } /** * Mark the scene as dirty, primarily to ensure radius/center will be * recalculated. */ void setDirty(bool dirty) { m_dirty = dirty; } /** * Has the scene been marked as dirty? */ bool isDirty() const { return m_dirty; } /** Clear the scene of all elements. */ void clear(); private: GroupNode m_rootNode; Vector4ub m_backgroundColor; mutable bool m_dirty; mutable Vector3f m_center; mutable float m_radius; }; } // namespace Rendering } // namespace Avogadro #endif // AVOGADRO_RENDERING_SCENE_H avogadrolibs-1.100.0/avogadro/rendering/shader.cpp000066400000000000000000000037271474375334400221050ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "shader.h" #include "avogadrogl.h" namespace Avogadro::Rendering { Shader::Shader(Type type_, const std::string& source_) : m_type(type_), m_handle(0), m_dirty(true), m_source(source_) { } Shader::~Shader() { } void Shader::setType(Type type_) { m_type = type_; m_dirty = true; } void Shader::setSource(const std::string& source_) { m_source = source_; m_dirty = true; } bool Shader::compile() { if (m_source.empty() || m_type == Unknown || !m_dirty) return false; // Ensure we delete the previous shader if necessary. if (m_handle != 0) { glDeleteShader(static_cast(m_handle)); m_handle = 0; } GLenum type_ = m_type == Vertex ? GL_VERTEX_SHADER : GL_FRAGMENT_SHADER; GLuint handle_ = glCreateShader(type_); const auto* source_ = static_cast(m_source.c_str()); glShaderSource(handle_, 1, &source_, nullptr); glCompileShader(handle_); GLint isCompiled; glGetShaderiv(handle_, GL_COMPILE_STATUS, &isCompiled); // Handle shader compilation failures. if (!isCompiled) { GLint length(0); glGetShaderiv(handle_, GL_INFO_LOG_LENGTH, &length); if (length > 1) { char* logMessage = new char[length]; glGetShaderInfoLog(handle_, length, nullptr, logMessage); m_error = logMessage; delete[] logMessage; } glDeleteShader(handle_); return false; } // The shader compiled, store its handle and return success. m_handle = static_cast(handle_); m_dirty = false; return true; } void Shader::cleanup() { if (m_type == Unknown || m_handle == 0) return; glDeleteShader(static_cast(m_handle)); m_handle = 0; m_dirty = false; } } // End Avogadro namespace avogadrolibs-1.100.0/avogadro/rendering/shader.h000066400000000000000000000041421474375334400215420ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_SHADER_H #define AVOGADRO_RENDERING_SHADER_H #include "avogadrorenderingexport.h" #include #include // For member variables. namespace Avogadro { namespace Rendering { /** * @class Shader shader.h * @brief Vertex or Fragment shader, combined into a ShaderProgram. * @author Marcus D. Hanwell * * This class creates a Vertex or Fragment shader, that can be attached to a * ShaderProgram in order to render geometry etc. */ class AVOGADRORENDERING_EXPORT Shader { public: /** Available shader types. */ enum Type { Vertex, /**< Vertex shader */ Fragment, /**< Fragment shader */ Unknown /**< Unknown (default) */ }; explicit Shader(Type type = Unknown, const std::string& source = ""); ~Shader(); /** Set the shader type. */ void setType(Type type); /** Get the shader type, typically Vertex or Fragment. */ Type type() const { return m_type; } /** Set the shader source to the supplied string. */ void setSource(const std::string& source); /** Get the source for the shader. */ std::string source() const { return m_source; } /** Get the error message (empty if none) for the shader. */ std::string error() const { return m_error; } /** Get the handle of the shader. */ Index handle() const { return m_handle; } /** Compile the shader. * @note A valid context must to current in order to compile the shader. */ bool compile(); /** Delete the shader. * @note This should only be done once the ShaderProgram is done with the * Shader. */ void cleanup(); protected: Type m_type; Index m_handle; bool m_dirty; std::string m_source; std::string m_error; }; } // End Rendering namespace } // End Avogadro namespace #endif // AVOGADRO_RENDERING_SHADER_H avogadrolibs-1.100.0/avogadro/rendering/shaderprogram.cpp000066400000000000000000000333251474375334400234720ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "shaderprogram.h" #include "avogadrogl.h" #include "shader.h" #include "texture2d.h" #include #include namespace Avogadro::Rendering { namespace { inline GLenum convertType(Type type) { switch (type) { default: case UCharType: return GL_UNSIGNED_BYTE; case CharType: return GL_BYTE; case ShortType: return GL_SHORT; case UShortType: return GL_UNSIGNED_SHORT; case IntType: return GL_INT; case UIntType: return GL_UNSIGNED_INT; case FloatType: return GL_FLOAT; case DoubleType: return GL_DOUBLE; } } inline GLenum lookupTextureUnit(GLint index) { #define MAKE_TEXTURE_UNIT_CASE(i) \ case i: \ return GL_TEXTURE##i; switch (index) { MAKE_TEXTURE_UNIT_CASE(0) MAKE_TEXTURE_UNIT_CASE(1) MAKE_TEXTURE_UNIT_CASE(2) MAKE_TEXTURE_UNIT_CASE(3) MAKE_TEXTURE_UNIT_CASE(4) MAKE_TEXTURE_UNIT_CASE(5) MAKE_TEXTURE_UNIT_CASE(6) MAKE_TEXTURE_UNIT_CASE(7) MAKE_TEXTURE_UNIT_CASE(8) MAKE_TEXTURE_UNIT_CASE(9) MAKE_TEXTURE_UNIT_CASE(10) MAKE_TEXTURE_UNIT_CASE(11) MAKE_TEXTURE_UNIT_CASE(12) MAKE_TEXTURE_UNIT_CASE(13) MAKE_TEXTURE_UNIT_CASE(14) MAKE_TEXTURE_UNIT_CASE(15) MAKE_TEXTURE_UNIT_CASE(16) MAKE_TEXTURE_UNIT_CASE(17) MAKE_TEXTURE_UNIT_CASE(18) MAKE_TEXTURE_UNIT_CASE(19) MAKE_TEXTURE_UNIT_CASE(20) MAKE_TEXTURE_UNIT_CASE(21) MAKE_TEXTURE_UNIT_CASE(22) MAKE_TEXTURE_UNIT_CASE(23) MAKE_TEXTURE_UNIT_CASE(24) MAKE_TEXTURE_UNIT_CASE(25) MAKE_TEXTURE_UNIT_CASE(26) MAKE_TEXTURE_UNIT_CASE(27) MAKE_TEXTURE_UNIT_CASE(28) MAKE_TEXTURE_UNIT_CASE(29) MAKE_TEXTURE_UNIT_CASE(30) MAKE_TEXTURE_UNIT_CASE(31) default: return 0; } } } // end anon namespace ShaderProgram::ShaderProgram() : m_handle(0), m_vertexShader(0), m_fragmentShader(0), m_linked(false) { initializeTextureUnits(); } ShaderProgram::~ShaderProgram() { if (m_handle != 0) { glDeleteProgram(static_cast(m_handle)); } } bool ShaderProgram::attachShader(const Shader& shader) { if (shader.handle() == 0) { m_error = "Shader object was not initialized, cannot attach it."; return false; } if (shader.type() == Shader::Unknown) { m_error = "Shader object is of type Unknown and cannot be used."; return false; } if (m_handle == 0) { GLuint handle_ = glCreateProgram(); if (handle_ == 0) { m_error = "Could not create shader program."; return false; } m_handle = static_cast(handle_); m_linked = false; } if (shader.type() == Shader::Vertex) { if (m_vertexShader != 0) { glDetachShader(static_cast(m_handle), static_cast(m_vertexShader)); } m_vertexShader = shader.handle(); } else if (shader.type() == Shader::Fragment) { if (m_fragmentShader != 0) { glDetachShader(static_cast(m_handle), static_cast(m_fragmentShader)); } m_fragmentShader = shader.handle(); } else { m_error = "Unknown shader type encountered - this should not happen."; return false; } glAttachShader(static_cast(m_handle), static_cast(shader.handle())); m_linked = false; return true; } bool ShaderProgram::detachShader(const Shader& shader) { if (shader.handle() == 0) { m_error = "Shader object was not initialized, cannot attach it."; return false; } if (shader.type() == Shader::Unknown) { m_error = "Shader object is of type Unknown and cannot be used."; return false; } if (m_handle == 0) { m_error = "This shader prorgram has not been initialized yet."; } switch (shader.type()) { case Shader::Vertex: if (m_vertexShader != shader.handle()) { m_error = "The supplied shader was not attached to this program."; return false; } else { glDetachShader(static_cast(m_handle), static_cast(shader.handle())); m_vertexShader = 0; return true; } case Shader::Fragment: if (m_fragmentShader != shader.handle()) { m_error = "The supplied shader was not attached to this program."; return false; } else { glDetachShader(static_cast(m_handle), static_cast(shader.handle())); m_fragmentShader = 0; return true; } default: return false; } } bool ShaderProgram::link() { if (m_linked) return true; if (m_handle == 0) { m_error = "Program has not been initialized, and/or does not have shaders."; return false; } GLint isCompiled; glLinkProgram(static_cast(m_handle)); glGetProgramiv(static_cast(m_handle), GL_LINK_STATUS, &isCompiled); if (isCompiled == 0) { GLint length(0); glGetShaderiv(static_cast(m_handle), GL_INFO_LOG_LENGTH, &length); if (length > 1) { char* logMessage = new char[length]; glGetShaderInfoLog(static_cast(m_handle), length, nullptr, logMessage); m_error = logMessage; delete[] logMessage; } return false; } m_linked = true; m_attributes.clear(); return true; } bool ShaderProgram::bind() { if (!m_linked && !link()) return false; glUseProgram(static_cast(m_handle)); return true; } void ShaderProgram::release() { glUseProgram(0); releaseAllTextureUnits(); } bool ShaderProgram::enableAttributeArray(const std::string& name) { auto location = static_cast(findAttributeArray(name)); if (location == -1) { m_error = "Could not enable attribute " + name + ". No such attribute."; return false; } glEnableVertexAttribArray(location); return true; } bool ShaderProgram::disableAttributeArray(const std::string& name) { auto location = static_cast(findAttributeArray(name)); if (location == -1) { m_error = "Could not disable attribute " + name + ". No such attribute."; return false; } glDisableVertexAttribArray(location); return true; } #define BUFFER_OFFSET(i) ((char*)nullptr + (i)) bool ShaderProgram::useAttributeArray(const std::string& name, int offset, size_t stride, Type elementType, int elementTupleSize, NormalizeOption normalize) { auto location = static_cast(findAttributeArray(name)); if (location == -1) { m_error = "Could not use attribute " + name + ". No such attribute."; return false; } glVertexAttribPointer(location, elementTupleSize, convertType(elementType), normalize == Normalize ? GL_TRUE : GL_FALSE, static_cast(stride), BUFFER_OFFSET(offset)); return true; } bool ShaderProgram::setTextureSampler(const std::string& name, const Texture2D& texture) { // Look up sampler location: auto location = static_cast(findUniform(name)); if (location == -1) { m_error = "Could not set sampler " + name + ". No uniform with that name."; return false; } // Check if the texture is already bound: GLint textureUnitId = 0; auto result = m_textureUnitBindings.find(&texture); if (result == m_textureUnitBindings.end()) { // Not bound. Attempt to bind the texture to an available texture unit. // We'll leave GL_TEXTURE0 unbound, as it is used for manipulating // textures. auto begin = m_boundTextureUnits.begin() + 1; auto end = m_boundTextureUnits.end(); auto available = std::find(begin, end, false); if (available == end) { m_error = "Could not set sampler " + name + ". No remaining texture " "units available."; return false; } textureUnitId = static_cast(available - begin); GLenum textureUnit = lookupTextureUnit(textureUnitId); if (textureUnit == 0) { m_error = "Could not set sampler " + name + ". Texture unit lookup failed."; return false; } glActiveTexture(textureUnit); if (!texture.bind()) { m_error = "Could not set sampler " + name + ": Error while binding " "texture: '" + texture.error() + "'."; glActiveTexture(GL_TEXTURE0); return false; } glActiveTexture(GL_TEXTURE0); // Mark texture unit as in-use. m_textureUnitBindings.insert(std::make_pair(&texture, textureUnitId)); *available = true; } else { // Texture is already bound. textureUnitId = result->second; } // Set the texture unit uniform glUniform1i(location, textureUnitId); return true; } bool ShaderProgram::setUniformValue(const std::string& name, int i) { auto location = static_cast(findUniform(name)); if (location == -1) { m_error = "Could not set uniform " + name + ". No such uniform."; return false; } glUniform1i(location, static_cast(i)); return true; } bool ShaderProgram::setUniformValue(const std::string& name, float f) { auto location = static_cast(findUniform(name)); if (location == -1) { m_error = "Could not set uniform " + name + ". No such uniform."; return false; } glUniform1f(location, static_cast(f)); return true; } bool ShaderProgram::setUniformValue(const std::string& name, const Eigen::Matrix3f& matrix) { auto location = static_cast(findUniform(name)); if (location == -1) { m_error = "Could not set uniform " + name + ". No such uniform."; return false; } glUniformMatrix3fv(location, 1, GL_FALSE, static_cast(matrix.data())); return true; } bool ShaderProgram::setUniformValue(const std::string& name, const Eigen::Matrix4f& matrix) { auto location = static_cast(findUniform(name)); if (location == -1) { m_error = "Could not set uniform " + name + ". No such uniform."; return false; } glUniformMatrix4fv(location, 1, GL_FALSE, static_cast(matrix.data())); return true; } bool ShaderProgram::setUniformValue(const std::string& name, const Vector3f& v) { auto location = static_cast(findUniform(name)); if (location == -1) { m_error = "Could not set uniform " + name + ". No such uniform."; return false; } glUniform3fv(location, 1, v.data()); return true; } bool ShaderProgram::setUniformValue(const std::string& name, const Vector2i& v) { auto location = static_cast(findUniform(name)); if (location == -1) { m_error = "Could not set uniform " + name + ". No such uniform."; return false; } glUniform2iv(location, 1, v.data()); return true; } bool ShaderProgram::setUniformValue(const std::string& name, const Vector3ub& v) { auto location = static_cast(findUniform(name)); if (location == -1) { m_error = "Could not set uniform " + name + ". No such uniform."; return false; } Vector3f colorf(v.cast() * (1.0f / 255.0f)); glUniform3fv(location, 1, colorf.data()); return true; } bool ShaderProgram::setAttributeArrayInternal( const std::string& name, void* buffer, Avogadro::Type type, int tupleSize, ShaderProgram::NormalizeOption normalize) { if (type == Avogadro::UnknownType) { m_error = "Unrecognized data type for attribute " + name + "."; return false; } auto location = static_cast(findAttributeArray(name)); if (location == -1) { m_error = "Could not set attribute " + name + ". No such attribute."; return false; } const auto* data = static_cast(buffer); glVertexAttribPointer(location, tupleSize, convertType(type), normalize == Normalize ? GL_TRUE : GL_FALSE, 0, data); return true; } void ShaderProgram::initializeTextureUnits() { GLint numTextureUnits = 0; glGetIntegerv(GL_MAX_COMBINED_TEXTURE_IMAGE_UNITS, &numTextureUnits); // We'll impose a hard limit of 32 texture units for symbolic lookups. // This seems to be about the maximum available on current hardware. // If increasing this limit, modify the lookupTextureUnit method // appropriately. numTextureUnits = std::min(std::max(numTextureUnits, 0), 32); m_boundTextureUnits.clear(); m_boundTextureUnits.resize(numTextureUnits, false); m_textureUnitBindings.clear(); } void ShaderProgram::releaseAllTextureUnits() { std::fill(m_boundTextureUnits.begin(), m_boundTextureUnits.end(), false); m_textureUnitBindings.clear(); } inline int ShaderProgram::findAttributeArray(const std::string& name) { if (name.empty() || !m_linked) return -1; const auto* namePtr = static_cast(name.c_str()); auto location = static_cast( glGetAttribLocation(static_cast(m_handle), namePtr)); if (location == -1) { m_error = "Specified attribute not found in current shader program: "; m_error += name; } return location; } inline int ShaderProgram::findUniform(const std::string& name) { if (name.empty() || !m_linked) return -1; const auto* namePtr = static_cast(name.c_str()); auto location = static_cast( glGetUniformLocation(static_cast(m_handle), namePtr)); if (location == -1) m_error = "Uniform " + name + " not found in current shader program."; return location; } } // End Avogadro namespace avogadrolibs-1.100.0/avogadro/rendering/shaderprogram.h000066400000000000000000000162101474375334400231310ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_SHADERPROGRAM_H #define AVOGADRO_RENDERING_SHADERPROGRAM_H #include "avogadrorenderingexport.h" #include #include #include #include // For member variables. #include // For member variables. #include // For member variables. namespace Avogadro { namespace Rendering { class Shader; class Texture2D; /** * @class ShaderProgram shaderprogram.h * @brief The ShaderProgram uses one or more Shader objects. * @author Marcus D. Hanwell * * This class creates a Vertex or Fragment shader, that can be attached to a * ShaderProgram in order to render geometry etc. */ class AVOGADRORENDERING_EXPORT ShaderProgram { public: /** Options for attribute normalization. */ enum NormalizeOption { /// The values range across the limits of the numeric type. /// This option instructs the rendering engine to normalize them to /// the range [0.0, 1.0] for unsigned types, and [-1.0, 1.0] for signed /// types. /// For example, unsigned char values will be mapped so that 0 = 0.0, /// and 255 = 1.0. /// The resulting floating point numbers will be passed into /// the shader program. Normalize, /// The values should be used as-is. Do not perform any normalization. NoNormalize }; ShaderProgram(); ~ShaderProgram(); /** Attach the supplied shader to this program. * @note A maximum of one Vertex shader and one Fragment shader can be * attached to a shader prorgram. * @return true on success. */ bool attachShader(const Shader& shader); /** Detach the supplied shader from this program. * @note A maximum of one Vertex shader and one Fragment shader can be * attached to a shader prorgram. * @return true on success. */ bool detachShader(const Shader& shader); /** Attempt to link the shader program. * @return false on failure. Query error to get the reason. * @note The shaders attached to the program must have been compiled. */ bool link(); /** Bind the program in order to use it. If the program has not been linked * then link() will be called. */ bool bind(); /** Releases the shader program from the current context. */ void release(); /** Get the error message (empty if none) for the shader program. */ std::string error() const { return m_error; } /** Enable the named attribute array. Return false if the attribute array is * not contained in the linked shader program. */ bool enableAttributeArray(const std::string& name); /** Disable the named attribute array. Return false if the attribute array is * not contained in the linked shader program. */ bool disableAttributeArray(const std::string& name); /** Use the named attribute array with the bound BufferObject. * @param name of the attribute (as seen in the shader program). * @param offset into the bound BufferObject. * @param stride The stride of the element access (i.e. the size of each * element in the currently bound BufferObject). 0 may be used to indicate * tightly packed data. * @param elementType Tag identifying the memory representation of the * element. * @param elementTupleSize The number of elements per vertex (e.g. a 3D * position attribute would be 3). * @param normalize Indicates the range used by the attribute data. * See NormalizeOption for more information. * @return false if the attribute array does not exist. */ bool useAttributeArray(const std::string& name, int offset, size_t stride, Avogadro::Type elementType, int elementTupleSize, NormalizeOption normalize); /** Upload the supplied array of tightly packed values to the named attribute. * BufferObject attributes should be preferred and this may be removed in * future. * * @param name Attribute name * @param array Container of data. See note. * @param tupleSize The number of elements per vertex, e.g. a 3D coordinate * array will have a tuple size of 3. * @param normalize Indicates the range used by the attribute data. * See NormalizeOption for more information. * * @note The ContainerT type must have tightly packed values of * ContainerT::value_type accessible by reference via ContainerT::operator[]. * Additionally, the standard size() and empty() methods must be implemented. * The std::vector and Avogadro::Core::Array classes are examples of such * supported containers. */ template bool setAttributeArray(const std::string& name, const ContainerT& array, int tupleSize, NormalizeOption normalize); /** Set the sampler @a samplerName to use the specified texture. */ bool setTextureSampler(const std::string& samplerName, const Texture2D& texture); /** Set the @p name uniform value to int @p i. */ bool setUniformValue(const std::string& name, int i); /** Set the @p name uniform value to float @p f. */ bool setUniformValue(const std::string& name, float f); /** Set the @p name uniform value to @p matrix. */ bool setUniformValue(const std::string& name, const Eigen::Matrix3f& matrix); bool setUniformValue(const std::string& name, const Eigen::Matrix4f& matrix); /** Set the @p name uniform value to the supplied value. @{ */ bool setUniformValue(const std::string& name, const Vector3f& v); bool setUniformValue(const std::string& name, const Vector2i& v); bool setUniformValue(const std::string& name, const Vector3ub& v); /** @} */ protected: bool setAttributeArrayInternal(const std::string& name, void* buffer, Avogadro::Type type, int tupleSize, NormalizeOption normalize); Index m_handle; Index m_vertexShader; Index m_fragmentShader; bool m_linked; std::string m_error; std::map m_attributes; std::map m_textureUnitBindings; std::vector m_boundTextureUnits; private: void initializeTextureUnits(); void releaseAllTextureUnits(); int findAttributeArray(const std::string& name); int findUniform(const std::string& name); }; template inline bool ShaderProgram::setAttributeArray(const std::string& name, const ContainerT& array, int tupleSize, NormalizeOption normalize) { if (array.empty()) { m_error = "Refusing to upload empty array for attribute " + name + "."; return false; } Type type = Avogadro::TypeTraits::EnumValue; return setAttributeArrayInternal(name, &array[0], type, tupleSize, normalize); } } // End Rendering namespace } // End Avogadro namespace #endif // AVOGADRO_RENDERING_SHADERPROGRAM_H avogadrolibs-1.100.0/avogadro/rendering/solid_first_fs.glsl000066400000000000000000000172771474375334400240340ustar00rootroot00000000000000////////////////////////////////////////////////////////////////////// // // First-stage screen-space fragment shader for the solid pipeline // // It offers ambient occlusion and edge detection capabilities. // ////////////////////////////////////////////////////////////////////// #version 120 // // Input // // texture coordinates varying vec2 UV; // // Uniforms // // RGB rendered texture uniform sampler2D inRGBTex; // RGB color for applying fog uniform float fogR; uniform float fogG; uniform float fogB; uniform float offset; // Depth rendered texture uniform sampler2D inDepthTex; // 1.0 if enabled, 0.0 if disabled uniform float inAoEnabled; // 0.0 if disabled uniform float inFogStrength; // Shadow strength for SSAO uniform float inAoStrength; // 1.0 if enabled, 0.0 if disabled uniform float inEdStrength; // amount of offset when zoom-in or zoom-out. uniform float uoffset; // Dof strength uniform float inDofStrength; // Dof position uniform float inDofPosition; // position for other molecules. uniform float inFogPosition; // Rendering surface dimensions, in pixels uniform float width, height; vec3 getNormalAt(vec2 normalUV) { float xpos = texture2D(inDepthTex, normalUV + vec2(1.0 / width, 0.0)).x; float xneg = texture2D(inDepthTex, normalUV - vec2(1.0 / width, 0.0)).x; float ypos = texture2D(inDepthTex, normalUV + vec2(0.0, 1.0 / height)).x; float yneg = texture2D(inDepthTex, normalUV - vec2(0.0, 1.0 / height)).x; float xdelta = xpos - xneg; float ydelta = ypos - yneg; vec3 r = vec3(xdelta, ydelta, 1.0 / width + 1.0 / height); return normalize(r); } vec3 getNormalNear(vec2 normalUV) { float cent = texture2D(inDepthTex, normalUV).x; float xpos = texture2D(inDepthTex, normalUV + vec2(1.0 / width, 0.0)).x; float xneg = texture2D(inDepthTex, normalUV - vec2(1.0 / width, 0.0)).x; float ypos = texture2D(inDepthTex, normalUV + vec2(0.0, 1.0 / height)).x; float yneg = texture2D(inDepthTex, normalUV - vec2(0.0, 1.0 / height)).x; float xposdelta = xpos - cent; float xnegdelta = cent - xneg; float yposdelta = ypos - cent; float ynegdelta = cent - yneg; float xdelta = abs(xposdelta) > abs(xnegdelta) ? xnegdelta : xposdelta; float ydelta = abs(yposdelta) > abs(ynegdelta) ? ynegdelta : yposdelta; vec3 r = vec3(xdelta, ydelta, 0.5 / width + 0.5 / height); return normalize(r); } float lerp(float a, float b, float f) { return a + f * (b - a); } float rand(vec2 co) { return fract(sin(dot(co.xy, vec2(12.9898, 78.233))) * 43758.5453); } float depthToZ(float depth) { float eyeZ = ((height * 0.57735) / 2.0); float near = 2.0; float far = 8000.0; float depthNormalized = 2.0 * depth - 1.0; return 2.0 * near * far / (far + near - depthNormalized * (far - near)); } float calcBlur(float z, float pixelScale) { return clamp(abs(z - 39.0), 0.0, 0.5 * pixelScale); } vec4 applyBlur(vec2 texCoord) { float pixelScale = max(width, height); float origZ = depthToZ(texture2D(inDepthTex, texCoord).x); float blurAmt = calcBlur(origZ, pixelScale); // Skip blurring if the original depth is less than the threshold if (origZ < uoffset * inDofPosition) { return texture2D(inRGBTex, texCoord); } float total = 1.0; vec4 color = texture2D(inRGBTex, texCoord); for (int i = 0; i < 32; i++) { float t = (float(i) / float(64)); float angle = (t * 4.0) * 6.28319; float radius = (t * 2. - 1.); angle += 1.0 * rand(gl_FragCoord.xy); vec2 offset = (vec2(cos(angle), sin(angle)) * radius * 0.05 * inDofStrength) / pixelScale; float z = depthToZ(texture2D(inDepthTex, texCoord + offset).x); float sampleBlur = calcBlur(z, pixelScale); float weight = 1.0 - smoothstep(0.0, 1.0, abs(z - origZ) / blurAmt); vec4 sample = texture2D(inRGBTex, texCoord+offset); color += weight * sample; total += weight; } return color / total; } vec4 applyFog(vec2 texCoord) { vec4 finalColor = mix( texture2D(inRGBTex, texCoord), vec4(vec3(fogR, fogG, fogB), 1.), pow(texture2D(inDepthTex, texCoord.xy).r, uoffset * inFogPosition / 10.0) ) + inFogStrength / 100.0; return finalColor; } const vec2 SSAOkernel[16] = vec2[16]( vec2(0.072170, 0.081556), vec2(-0.035126, 0.056701), vec2(-0.034186, -0.083598), vec2(-0.056102, -0.009235), vec2(0.017487, -0.099822), vec2(0.071065, 0.015921), vec2(0.040950, 0.079834), vec2(-0.087751, 0.065326), vec2(0.061108, -0.025829), vec2(0.081262, -0.025854), vec2(-0.063816, 0.083857), vec2(0.043747, -0.068586), vec2(-0.089848, 0.049046), vec2(-0.065370, 0.058761), vec2(0.099581, -0.089322), vec2(-0.032077, -0.042826) ); float computeSSAOLuminosity(vec3 normal) { float totalOcclusion = 0.0; float depth = texture2D(inDepthTex, UV).x; float A = (width * UV.x + 10 * height * UV.y) * 2.0 * 3.14159265358979 * 5.0 / 16.0; float S = sin(A); float C = cos(A); mat2 rotation = mat2( C, -S, S, C ); for (int i = 0; i < 16; i++) { vec2 samplePoint = rotation * SSAOkernel[i]; float occluderDepth = texture2D(inDepthTex, UV + samplePoint).x; vec3 occluder = vec3(samplePoint.xy, depth - occluderDepth); float d = length(occluder); float occlusion = max(0.0, dot(normal, occluder)) * (1.0 / (1.0 + d)); totalOcclusion += occlusion; } return max(0.0, 1.2 - inAoStrength * totalOcclusion); } float computeEdgeLuminosity(vec3 normal) { return max(0.0, pow(normal.z - 0.1, 1.0 / 3.0)); } void main() { float luminosity = 1.0; vec4 color = texture2D(inRGBTex, UV); vec4 finalColor = color; // Initialize finalColor with base color // Compute luminosity based on Ambient Occlusion (AO) and Edge Detection if (inAoEnabled != 0.0) { luminosity *= max(1.2 * (1.0 - inAoEnabled), computeSSAOLuminosity(getNormalNear(UV))); } if (inEdStrength != 0.0) { luminosity *= max(1.0 - inEdStrength, computeEdgeLuminosity(getNormalAt(UV))); } // Compute foggedColor if Fog is enabled vec4 foggedColor = color; if (inFogStrength != 0.0) { foggedColor = applyFog(UV); } // Compute blurredColor if DOF is enabled vec4 blurredColor = color; if (inDofStrength != 0.0) { blurredColor = applyBlur(UV); } // Determine finalColor based on enabled effects if (inAoEnabled != 0.0 || inEdStrength != 0.0 || inDofStrength != 0.0) { if (inFogStrength != 0.0 && inDofStrength != 0.0) { // Both Fog and DOF are enabled vec4 mixedColor = mix(foggedColor, blurredColor, 0.5); finalColor = vec4(mixedColor.rgb * luminosity, mixedColor.a); } else if (inFogStrength != 0.0) { // Only Fog is enabled with ao/edge-detection finalColor = vec4(foggedColor.rgb * luminosity, foggedColor.a); } else if (inDofStrength != 0.0) { // Only DOF is enabled with/without ao/edge finalColor = vec4(blurredColor.rgb * luminosity, blurredColor.a); } else { // Only AO and/or Edge Detection are enabled finalColor = vec4(color.rgb * luminosity, color.a); } } else { // Neither AO, DOF, nor Edge Detection is enabled if (inFogStrength != 0.0) { // Only Fog is enabled finalColor = foggedColor; } else { // No effects are enabled finalColor = color; } } // Set the final fragment color gl_FragColor = finalColor; // Set fragment depth gl_FragDepth = texture2D(inDepthTex, UV).x; } avogadrolibs-1.100.0/avogadro/rendering/solid_vs.glsl000066400000000000000000000006761474375334400226400ustar00rootroot00000000000000////////////////////////////////////////////////////////////////////// // // No-op shader for rendering a fullscreen quad within the solid pipeline // ////////////////////////////////////////////////////////////////////// // // Input // // input coordinates attribute vec3 inXYZ; // // Output // // texture coordinates varying vec2 UV; void main() { gl_Position = vec4(inXYZ.xyz, 1.0); UV = inXYZ.xy * vec2(0.5, 0.5) + vec2(0.5, 0.5); } avogadrolibs-1.100.0/avogadro/rendering/solidpipeline.cpp000066400000000000000000000167301474375334400234750ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "solidpipeline.h" #include "avogadrogl.h" #include "camera.h" #include "shader.h" #include "shaderprogram.h" #include "solid_vs.h" #include "solid_first_fs.h" #include #include namespace Avogadro::Rendering { class SolidPipeline::Private { public: Private() {} void attachStage(ShaderProgram& prog, const GLchar* nameRGB, GLuint texRGB, const GLchar* nameDepth, GLuint texDepth, int w, int h) { prog.bind(); GLuint programID; glGetIntegerv(GL_CURRENT_PROGRAM, (GLint*)&programID); GLuint attrRGB = glGetUniformLocation(programID, nameRGB); glActiveTexture(GL_TEXTURE0 + 1); glBindTexture(GL_TEXTURE_2D, texRGB); glUniform1i(attrRGB, 1); GLuint attrDepth = glGetUniformLocation(programID, nameDepth); glActiveTexture(GL_TEXTURE0 + 2); glBindTexture(GL_TEXTURE_2D, texDepth); glUniform1i(attrDepth, 2); prog.setUniformValue("width", float(w)); prog.setUniformValue("height", float(h)); } GLuint defaultFBO; GLuint renderFBO; GLuint renderTexture; GLuint depthTexture; GLuint screenVBO; ShaderProgram firstStageShaders; Shader screenVertexShader; Shader firstFragmentShader; }; static const GLfloat s_fullscreenQuad[] = { -1.0f, -1.0f, 0.0f, 1.0f, -1.0f, 0.0f, -1.0f, 1.0f, 0.0f, -1.0f, 1.0f, 0.0f, 1.0f, -1.0f, 0.0f, 1.0f, 1.0f, 0.0f, }; void initializeFramebuffer(GLuint* outFBO, GLuint* texRGB, GLuint* texDepth) { glGenFramebuffers(1, outFBO); glBindFramebuffer(GL_FRAMEBUFFER, *outFBO); glGenTextures(1, texRGB); glBindTexture(GL_TEXTURE_2D, *texRGB); glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_MAG_FILTER, GL_NEAREST); glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_MIN_FILTER, GL_NEAREST); glFramebufferTexture2D(GL_FRAMEBUFFER, GL_COLOR_ATTACHMENT0, GL_TEXTURE_2D, *texRGB, 0); glGenTextures(1, texDepth); glBindTexture(GL_TEXTURE_2D, *texDepth); glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_MAG_FILTER, GL_LINEAR); glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_MIN_FILTER, GL_LINEAR); glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_WRAP_S, GL_CLAMP_TO_EDGE); glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_WRAP_T, GL_CLAMP_TO_EDGE); glFramebufferTexture2D(GL_FRAMEBUFFER, GL_DEPTH_ATTACHMENT, GL_TEXTURE_2D, *texDepth, 0); } SolidPipeline::SolidPipeline() : m_pixelRatio(1.0f), m_aoEnabled(false), m_dofEnabled(false), m_aoStrength(1.0f), m_fogStrength(1.0f), m_fogPosition(1.0), m_fogEnabled(true), m_edEnabled(false), m_edStrength(1.0f), m_width(0), m_height(0), m_dofStrength(1.0f), m_dofPosition(1.0), m_backgroundColor(0, 0, 0, 0), d(new Private) { } SolidPipeline::~SolidPipeline() { delete d; } void SolidPipeline::initialize() { initializeFramebuffer(&d->renderFBO, &d->renderTexture, &d->depthTexture); glGenBuffers(1, &d->screenVBO); glBindBuffer(GL_ARRAY_BUFFER, d->screenVBO); glBufferData(GL_ARRAY_BUFFER, sizeof(s_fullscreenQuad), s_fullscreenQuad, GL_STATIC_DRAW); d->screenVertexShader.setType(Shader::Vertex); d->screenVertexShader.setSource(solid_vs); if (!d->screenVertexShader.compile()) std::cout << d->screenVertexShader.error() << std::endl; d->firstFragmentShader.setType(Shader::Fragment); d->firstFragmentShader.setSource(solid_first_fs); if (!d->firstFragmentShader.compile()) std::cout << d->firstFragmentShader.error() << std::endl; d->firstStageShaders.attachShader(d->screenVertexShader); d->firstStageShaders.attachShader(d->firstFragmentShader); if (!d->firstStageShaders.link()) std::cout << d->firstStageShaders.error() << std::endl; } void SolidPipeline::begin() { glGetIntegerv(GL_FRAMEBUFFER_BINDING, (GLint*)&d->defaultFBO); glBindFramebuffer(GL_FRAMEBUFFER, d->renderFBO); GLenum drawBuffersList[1] = { GL_COLOR_ATTACHMENT0 }; glDrawBuffers(1, drawBuffersList); GLfloat tmp[5]; glGetFloatv(GL_COLOR_CLEAR_VALUE, tmp); glGetFloatv(GL_DEPTH_CLEAR_VALUE, tmp + 4); glClearColor(0.0, 0.0, 0.0, 0.0); glClear(GL_COLOR_BUFFER_BIT | GL_DEPTH_BUFFER_BIT); glClearColor(tmp[0], tmp[1], tmp[2], tmp[3]); glClearDepth(tmp[4]); } void SolidPipeline::end() { // Draw fullscreen quad glEnableVertexAttribArray(0); glBindBuffer(GL_ARRAY_BUFFER, d->screenVBO); glVertexAttribPointer(0, 3, GL_FLOAT, GL_FALSE, 0, nullptr); // Draw to screen if (glIsFramebuffer(d->defaultFBO)) { glBindFramebuffer(GL_FRAMEBUFFER, d->defaultFBO); GLenum drawBuffersList[1] = { GL_COLOR_ATTACHMENT0 }; glDrawBuffers(1, drawBuffersList); } else { glBindFramebuffer(GL_FRAMEBUFFER, 0); glDrawBuffer(GL_BACK); } d->attachStage(d->firstStageShaders, "inRGBTex", d->renderTexture, "inDepthTex", d->depthTexture, m_width, m_height); d->firstStageShaders.setUniformValue("inAoEnabled", m_aoEnabled ? 1.0f : 0.0f); d->firstStageShaders.setUniformValue("inDofEnabled", m_dofEnabled ? 1.0f : 0.0f); d->firstStageShaders.setUniformValue( "inDofStrength", m_dofEnabled ? (m_dofStrength * 100.0f) : 0.0f); d->firstStageShaders.setUniformValue("inDofPosition", ((m_dofPosition) / 10.0f)); d->firstStageShaders.setUniformValue("inAoStrength", m_aoStrength); d->firstStageShaders.setUniformValue("inEdStrength", m_edStrength); d->firstStageShaders.setUniformValue("inFogEnabled", m_fogEnabled ? 1.0f : 0.0f); d->firstStageShaders.setUniformValue("inFogStrength", m_fogEnabled ? m_fogStrength : 0.0f); d->firstStageShaders.setUniformValue("inFogPosition", m_fogPosition); d->firstStageShaders.setUniformValue("fogR", (m_backgroundColor[0]) / 255.0f); d->firstStageShaders.setUniformValue("fogG", (m_backgroundColor[1]) / 255.0f); d->firstStageShaders.setUniformValue("fogB", (m_backgroundColor[2]) / 255.0f); glDrawArrays(GL_TRIANGLES, 0, 6); glDisableVertexAttribArray(0); } void SolidPipeline::adjustOffset(const Camera& cam) { // The numbers used in calculations are random. // They help define an offset with the projection-matrix // to make the fog dynamic as the molecule moves away // from the camera or come closer. Eigen::Matrix4f projectView = cam.projection().matrix(); float project = ((((5000 + projectView(2, 3) * 1000) / 6) + 55) * 100); float offSet = 0.000102337 * pow(project, 2) - 3.84689 * project + 36182.2; if (project >= 21018.106 && project < 21595.588) { offSet = 2.63129 * project - 54768.4; } else if (project >= 21595.588) { offSet = 9.952 * project - 212865; } d->firstStageShaders.setUniformValue("uoffset", offSet); } void SolidPipeline::resize(int width, int height) { m_width = width * m_pixelRatio; m_height = height * m_pixelRatio; glBindTexture(GL_TEXTURE_2D, d->renderTexture); glTexImage2D(GL_TEXTURE_2D, 0, GL_RGB, m_width, m_height, 0, GL_RGBA, GL_UNSIGNED_BYTE, 0); glBindTexture(GL_TEXTURE_2D, d->depthTexture); glTexImage2D(GL_TEXTURE_2D, 0, GL_DEPTH_COMPONENT, m_width, m_height, 0, GL_DEPTH_COMPONENT, GL_UNSIGNED_BYTE, 0); } void SolidPipeline::setPixelRatio(float ratio) { m_pixelRatio = ratio; } } // End namespace Avogadro::Rendering avogadrolibs-1.100.0/avogadro/rendering/solidpipeline.h000066400000000000000000000071301474375334400231340ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_SOLIDPIPELINE_H #define AVOGADRO_RENDERING_SOLIDPIPELINE_H #include "camera.h" namespace Avogadro { namespace Rendering { class SolidPipeline { public: SolidPipeline(); ~SolidPipeline(); /** * @brief Probably don't want to support copy/assignment. */ SolidPipeline(const SolidPipeline&) = delete; SolidPipeline& operator= (const SolidPipeline&) = delete; /** * @brief Initialize OpenGL objects. */ void initialize(); /** * @brief Begin solid geometry rendering. */ void begin(); void adjustOffset(const Camera& camera); /** * @brief End solid geometry rendering and apply screen-space shaders. */ void end(); /** * @brief Resize buffers for width x height viewport. */ void resize(int width, int height); /** * @brief Set pixel ratio (1.0 on standard displays, 2.0 on Retina, etc.). */ void setPixelRatio(float ratio); /** * @brief Get or set whether Ambient Occlusion is enabled. */ bool getAoEnabled() { return m_aoEnabled; } void setAoEnabled(bool enabled) { m_aoEnabled = enabled; } /** * @brief Get or set whether Depth-of-feild is enabled. */ bool getDofEnabled() { return m_dofEnabled; } void setDofEnabled(bool enabled) { m_dofEnabled = enabled; } /** * @brief Get or set whether Fog is enabled. */ bool getFogEnabled() { return m_fogEnabled; } void setFogEnabled(bool enabled) { m_fogEnabled = enabled; } /** * @brief Set Background Color to it's current value. */ Vector4ub backgroundColor() const { return m_backgroundColor; } void setBackgroundColor(const Vector4ub& c) { m_backgroundColor = c; } /** * @brief Get or set shadow strength for Ambient Occlusion. */ float getAoStrength() { return m_aoStrength; } void setAoStrength(float strength) { m_aoStrength = strength; } /** * @brief Get or set fog strength. */ float getFogStrength() { return m_fogStrength; } void setFogStrength(float strength) { m_fogStrength = strength; } /** * @brief Get or set fog position */ float getFogPosition(){ return m_fogPosition;} void setFogPosition(float position) { m_fogPosition = position; } /** * @brief Get or set whether Edge Detection is enabled. */ bool getEdEnabled() { return m_edEnabled; } void setEdEnabled(bool enabled) { m_edEnabled = enabled; m_edStrength = (m_edEnabled) ? 1.0 : 0.0; } /** * @brief Get or set dof strength. */ float getDofStrength() { return m_dofStrength; } void setDofStrength(float strength) { m_dofStrength = strength; } /** * @brief Set positon of dof */ float getDofPosition(){ return m_dofPosition;} void setDofPosition(float position) { m_dofPosition = position; } /** * @brief Get or set the strength of the edge effect */ bool getEdStrength() { return m_edStrength; } void setEdStrength(float strength) { m_edStrength = strength; } private: float m_pixelRatio; bool m_aoEnabled; float m_dofStrength; float m_dofPosition; bool m_dofEnabled; float m_fogPosition; Vector4ub m_backgroundColor; Eigen::Affine3f modelView; bool m_fogEnabled; float m_aoStrength; float m_fogStrength; bool m_edEnabled; float m_edStrength; int m_width; int m_height; class Private; Private* d; }; } // End namespace Rendering } // End namespace Avogadro #endifavogadrolibs-1.100.0/avogadro/rendering/sphere_ao_bake_fs.glsl000066400000000000000000000046651474375334400244370ustar00rootroot00000000000000////////////////////////////////////////////////////////////////////// // // Ambient occlusion shader for sphere impostors // // This fragment shader is used for baking the ambient occlusion // maps. // ////////////////////////////////////////////////////////////////////// // // Input // // the sphere center position: eye coords varying vec3 v_pos; // the sphere radius varying float v_radius; // stretched corner: [-1.x, 1.x] (see below) varying vec2 v_corner; // // Uniforms // // the model-view matrix uniform mat4 u_modelView; // the orthographic projection matrix uniform mat4 u_projection; // depth texture sampler uniform sampler2D u_depthTex; // intensity = 1 / (number of light directions) uniform float u_intensity; /** * Inverse gnomonic projection over octahedron unfloded into a square. This * inverse projection goes from texture coordinates to the surface of the unit * sphere. Both the texture and unit sphere coordinates are in the range * [-1, 1]. * * In practice, this function returns the normal vector in model coordinate * space. The z is inverted since going from clip coords to NDC inverts the * z axis. * * reference: Tarini et al. page 3, eq. (5) */ vec3 textureToSphereSurfaceCoord(in vec2 coord) { vec2 absCoord = abs(coord); float h = 1.0 - absCoord.s - absCoord.t; return (h >= 0.0) ? vec3(coord.st, -h) : vec3(sign(coord.st) * (1.0 - absCoord.ts), -h); } void main() { // map texture coords to normal in model coords vec3 N = textureToSphereSurfaceCoord(clamp(v_corner, -1.0, 1.0)); // model coords -> eye coords N = normalize(vec3(u_modelView * vec4(N, 0.0))); // add the normal xy components to the sphere eye coords vec4 pos = vec4(v_pos, 1.0); pos.xy += N.xy * v_radius; // eye coord -> clip coords [-1, 1] pos = u_projection * pos; // clip coords -> [0, 1] for xy and [near, far] for z pos.xy = (pos.xy + vec2(1.0, 1.0)) / 2.0; pos.z = ((gl_DepthRange.diff * pos.z) + gl_DepthRange.near + gl_DepthRange.far) / 2.0; // compute angle between sphere surface and light direction float cos_alpha = dot(N, vec3(0, 0, 1)); // since we are using flat impostors in the depth texture, cos_alpha needs to be positive if (cos_alpha > 0.0 && texture2D(u_depthTex, pos.xy).r > pos.z) { // the texel is visible from the light source gl_FragColor = vec4(vec3(1.0, 1.0, 1.0) * cos_alpha * u_intensity, 1.0); } else { // texel not visible gl_FragColor = vec4(0.0, 0.0, 0.0, 0.0); } } avogadrolibs-1.100.0/avogadro/rendering/sphere_ao_bake_vs.glsl000066400000000000000000000030221474375334400244410ustar00rootroot00000000000000////////////////////////////////////////////////////////////////////// // // Ambient occlusion shader for sphere impostors // // This fragment shader is used for baking the ambient occlusion // maps. // ////////////////////////////////////////////////////////////////////// // // Input // // sphere center position: model coords attribute vec3 a_pos; // corner: [-radius, radius] attribute vec2 a_corner; // offset for the center of the sphere's AO map texture tile attribute vec2 a_tileOffset; // // Output // // the sphere center position: eye coords varying vec3 v_pos; // the sphere radius varying float v_radius; // stretched corner: [-1.x, 1.x] (see below) varying vec2 v_corner; // // Uniforms // // the model-view matrix uniform mat4 u_modelView; // the size of the AO texture [pixels] (e.g. 1024) uniform float u_textureSize; // the size of a single tile in texture coords [0, 1] uniform float u_tileSize; void main() { // pass through radius v_radius = abs(a_corner.s); // position: model coords -> eye coords v_pos = vec3(u_modelView * vec4(a_pos, 1.0)); // normalize corner: [-radius, radius] -> [-1, 1] vec2 corner = a_corner / v_radius; // enlarge texture space to trim half a texel from the tile // note: v_corner is in range [-1, 1] so we add 2 / (tile size in pixels) v_corner = corner * (1.0 + 2.0 / (u_textureSize * u_tileSize)); // NDC are in range [-1, 1], the * 2 - 1 translates and scales the position to [0, 1] gl_Position = vec4(a_tileOffset * 2.0 - vec2(1.0) + corner * u_tileSize, 0.0, 1.0); } avogadrolibs-1.100.0/avogadro/rendering/sphere_ao_depth_fs.glsl000066400000000000000000000011571474375334400246320ustar00rootroot00000000000000////////////////////////////////////////////////////////////////////// // // Ambient occlusion shader for sphere impostors // // This fragment shader is used for rendering the depth texture from // the light source's view. // ////////////////////////////////////////////////////////////////////// // // Input // // normalized corner: [-1, 1] varying vec2 v_corner; void main() { // figure out if we are inside our sphere float zz = 1.0 - v_corner.x * v_corner.x - v_corner.y * v_corner.y; if (zz <= 0.0) discard; // draw buffer is not attached, output any color gl_FragColor = vec4(1.0, 1.0, 1.0, 1.0); } avogadrolibs-1.100.0/avogadro/rendering/sphere_ao_depth_vs.glsl000066400000000000000000000020661474375334400246520ustar00rootroot00000000000000////////////////////////////////////////////////////////////////////// // // Ambient occlusion shader for sphere impostors // // This vertex shader is used for rendering the depth texture from // the light source's view. // ////////////////////////////////////////////////////////////////////// // // Input // // sphere position: model coordinates attribute vec3 a_pos; // sphere corner: [-r, -r], [r, -r], [r, r], [-r, r] attribute vec2 a_corner; // // Output // // normalized corner: [-1, 1] varying vec2 v_corner; // // Uniforms // // model-view matrix of the current light direction uniform mat4 u_modelView; // projection matrix uniform mat4 u_projection; void main() { // extract radius from unnormalized corner attribute float radius = abs(a_corner.s); // normalize corner to be in [-1, 1] range v_corner = a_corner / radius; // model coords -> eye coords vec4 pos = u_modelView * vec4(a_pos, 1.0); // translate position to corner taking radius into account pos.xy += a_corner; // eye coords -> clip coords gl_Position = u_projection * pos; } avogadrolibs-1.100.0/avogadro/rendering/sphere_ao_render_fs.glsl000066400000000000000000000060571474375334400250110ustar00rootroot00000000000000//#define CONTOUR_LINES //#define TOON_SHADING // normalized corner varying vec2 v_corner; // color varying vec3 v_color; // position in eye-coordinate space varying vec4 v_eyePos; // sphere radius varying float v_radius; // AO tile offset varying vec2 v_tileOffset; // inverse model-view matrix uniform mat4 u_modelView; uniform mat3 u_invModelView; // the projection matrix uniform mat4 u_projection; // the texture sampler uniform sampler2D u_tex; uniform float u_texScale; #ifdef CONTOUR_LINES const float contourWidth = 0.3; #endif #ifdef TOON_SHADING const float levels = 4.0; #endif vec2 sphereSurfaceToTextureCoord(in vec3 coord) { vec3 absCoord = abs(coord); float d = absCoord.x + absCoord.y + absCoord.z; return (coord.z <= 0.0) ? coord.xy / d : sign(coord.xy) * (1.0 - absCoord.yx / d); } float cosine(in vec3 a, in vec3 b) { float cos_alpha = max(0.0, dot(a, b)); #ifdef TOON_SHADING cos_alpha = floor(cos_alpha * levels) / levels; #endif return cos_alpha; } void main() { // figure out if we are inside our sphere float zz = 1.0 - v_corner.x * v_corner.x - v_corner.y * v_corner.y; #ifdef CONTOUR_LINES if (zz <= -sqrt(contourWidth)) { // fragment outside sphere + contour radius discard; } if (zz <= 0.0) { // fragment is part of the contour float xi = abs(zz); // [0, contourWidth] // eta determines how much the contours are pushed back float eta = 0.0004; gl_FragColor = vec4(0.0, 0.0, 0.0, 1.0); // black gl_FragDepth = gl_FragCoord.z - 10e-10 + eta * xi; return; } #else if (zz <= 0.0) discard; #endif // compute normal in eye coods vec3 N = normalize(vec3(v_corner, sqrt(zz))); // compute the pixel's depth vec4 pos = v_eyePos; pos.z += N.z * v_radius; // radius is 1.0 pos = u_projection * pos; gl_FragDepth = (pos.z / pos.w + 1.0) / 2.0; // transform to normal to model-space vec3 modelN = N; modelN = normalize(u_invModelView * modelN); // determine (u, v) texture coordinates using gnomonic projection vec2 uv = sphereSurfaceToTextureCoord(modelN); // [-1, 1] uv = v_tileOffset + uv * u_texScale; //gl_FragColor = vec4(v_color, 1.0) * texture2D(u_tex, uv); // direction of light source vec3 L = normalize(vec3(0, 1, 1)); // eye direction vec3 E = vec3(0, 0, 1); // angle between normal and light direction float cos_alpha = cosine(N, L); // compute ambient color vec3 ambient = 0.4 * v_color; // compute diffuse color vec3 diffuse = 0.55 * v_color * cos_alpha; // compute specular color (approximate Fresnel reflection) vec3 H = normalize(L + E); // halfway vector between N and E float cos_beta = cosine(N, H); vec3 specular = 0.5 * (vec3(1, 1, 1) - v_color)* pow(cos_beta, 20.0); // final color vec3 color = ambient + diffuse + specular; gl_FragColor = 1.2 * vec4(color, 1.0) * texture2D(u_tex, uv); // AO + Phong reflection [+ contours] //gl_FragColor = vec4(color, 1.0); // Phong reflection [+ contours] //gl_FragColor = 1.2 * texture2D(u_tex, uv); // AO [+ contours] //gl_FragColor = vec4(1.0, 1.0, 1.0, 1.0); // contours + white atoms } avogadrolibs-1.100.0/avogadro/rendering/sphere_ao_render_vs.glsl000066400000000000000000000036421474375334400250260ustar00rootroot00000000000000// // Input // // sphere position: model coordinates attribute vec3 a_pos; // sphere corner: [-r, -r], [r, -r], [r, r], [-r, r] attribute vec2 a_corner; // offset for the center of the sphere's AO map texture tile attribute vec2 a_tileOffset; // color: RGB attribute vec3 a_color; // // Output // // normalized corner varying vec2 v_corner; // color varying vec3 v_color; // position in eye-coordinate space varying vec4 v_eyePos; // sphere radius varying float v_radius; // AO tile offset varying vec2 v_tileOffset; // // Uniforms // // model-view matrix uniform mat4 u_modelView; // projection matrix uniform mat4 u_projection; #define CONTOUR_LINES #ifdef CONTOUR_LINES const float contourWidth = 0.3; #endif void main() { // pass through AO tile offset & color v_tileOffset = a_tileOffset; v_color = a_color; // extract radius from unnormalized corner attribute v_radius = abs(a_corner.x); // normalize corner to be in [-1, 1] range #ifdef CONTOUR_LINES v_corner = a_corner / v_radius + sign(a_corner) * vec2(contourWidth, contourWidth); #else v_corner = a_corner / v_radius; #endif // compute eye-coordinate sphere position v_eyePos = u_modelView * vec4(a_pos, 1.0); // test if the closest point on the sphere would be clipped vec4 clipTestNear = v_eyePos; // z-axis points to eye (camera), add radius to sphere position clipTestNear.z += v_radius; // project the eye-coordinate sphere position clipTestNear = u_projection * clipTestNear; if (clipTestNear.z > -clipTestNear.w) { // not clipped, calculate clip coordinate gl_Position = v_eyePos; #ifdef CONTOUR_LINES gl_Position.xy += a_corner + sign(a_corner) * vec2(contourWidth, contourWidth); //gl_Position.xy += a_corner; #else gl_Position.xy += a_corner; #endif gl_Position = u_projection * gl_Position; } else { // clipped, invalidate the clip coordinate to ensure that it will be clipped gl_Position.w = 0.0; } } avogadrolibs-1.100.0/avogadro/rendering/spheregeometry.cpp000066400000000000000000000206251474375334400236750ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "spheregeometry.h" #include "camera.h" #include "scene.h" #include "bufferobject.h" #include "shader.h" #include "shaderprogram.h" #include "visitor.h" namespace { #include "spheres_fs.h" #include "spheres_vs.h" } // namespace #include "avogadrogl.h" #include using std::cout; using std::endl; namespace Avogadro::Rendering { using Core::Array; class SphereGeometry::Private { public: Private() {} BufferObject vbo; BufferObject ibo; inline static Shader* vertexShader = nullptr; inline static Shader* fragmentShader = nullptr; inline static ShaderProgram* program = nullptr; size_t numberOfVertices; size_t numberOfIndices; }; SphereGeometry::SphereGeometry() : m_dirty(false), d(new Private) { setRenderPass(SolidPass); } SphereGeometry::SphereGeometry(const SphereGeometry& other) : Drawable(other), m_spheres(other.m_spheres), m_indices(other.m_indices), m_dirty(true), d(new Private) { setRenderPass(SolidPass); } SphereGeometry::~SphereGeometry() { delete d; } void SphereGeometry::accept(Visitor& visitor) { visitor.visit(*this); } void SphereGeometry::update() { if (m_indices.empty() || m_spheres.empty()) return; // Check if the VBOs are ready, if not get them ready. if (!d->vbo.ready() || m_dirty) { std::vector sphereIndices; std::vector sphereVertices; sphereIndices.reserve(m_indices.size() * 4); sphereVertices.reserve(m_spheres.size() * 4); auto itIndex = m_indices.begin(); auto itSphere = m_spheres.begin(); for (size_t i = 0; itIndex != m_indices.end() && itSphere != m_spheres.end(); ++i, ++itIndex, ++itSphere) { // Use our packed data structure... float r = itSphere->radius; unsigned int index = 4 * static_cast(i); ColorTextureVertex vert(itSphere->center, itSphere->color, Vector2f(-r, -r)); sphereVertices.push_back(vert); vert.textureCoord = Vector2f(-r, r); sphereVertices.push_back(vert); vert.textureCoord = Vector2f(r, -r); sphereVertices.push_back(vert); vert.textureCoord = Vector2f(r, r); sphereVertices.push_back(vert); // 6 indexed vertices to draw a quad... sphereIndices.push_back(index + 0); sphereIndices.push_back(index + 1); sphereIndices.push_back(index + 2); sphereIndices.push_back(index + 3); sphereIndices.push_back(index + 2); sphereIndices.push_back(index + 1); // m_spheres.push_back(Sphere(position, r, id, color)); } if (!d->vbo.upload(sphereVertices, BufferObject::ArrayBuffer)) cout << d->vbo.error() << endl; if (!d->ibo.upload(sphereIndices, BufferObject::ElementArrayBuffer)) cout << d->ibo.error() << endl; d->numberOfVertices = sphereVertices.size(); d->numberOfIndices = sphereIndices.size(); m_dirty = false; } // Build and link the shader if it has not been used yet. if (d->vertexShader == nullptr) { d->vertexShader = new Shader; d->vertexShader->setType(Shader::Vertex); d->vertexShader->setSource(spheres_vs); d->fragmentShader = new Shader; d->fragmentShader->setType(Shader::Fragment); d->fragmentShader->setSource(spheres_fs); if (!d->vertexShader->compile()) cout << d->vertexShader->error() << endl; if (!d->fragmentShader->compile()) cout << d->fragmentShader->error() << endl; if (d->program == nullptr) d->program = new ShaderProgram; d->program->attachShader(*d->vertexShader); d->program->attachShader(*d->fragmentShader); if (!d->program->link()) cout << d->program->error() << endl; /* d->program.detachShader(d->vertexShader); d->program.detachShader(d->fragmentShader); d->vertexShader.cleanup(); d->fragmentShader.cleanup(); */ } } void SphereGeometry::render(const Camera& camera) { if (m_indices.empty() || m_spheres.empty()) return; // Prepare the VBOs, IBOs and shader program if necessary. update(); if (!d->program->bind()) cout << d->program->error() << endl; d->vbo.bind(); d->ibo.bind(); // Set up our attribute arrays. if (!d->program->enableAttributeArray("vertex")) cout << d->program->error() << endl; if (!d->program->useAttributeArray( "vertex", ColorTextureVertex::vertexOffset(), sizeof(ColorTextureVertex), FloatType, 3, ShaderProgram::NoNormalize)) { cout << d->program->error() << endl; } if (!d->program->enableAttributeArray("color")) cout << d->program->error() << endl; if (!d->program->useAttributeArray("color", ColorTextureVertex::colorOffset(), sizeof(ColorTextureVertex), UCharType, 3, ShaderProgram::Normalize)) { cout << d->program->error() << endl; } if (!d->program->enableAttributeArray("texCoordinate")) cout << d->program->error() << endl; if (!d->program->useAttributeArray( "texCoordinate", ColorTextureVertex::textureCoordOffset(), sizeof(ColorTextureVertex), FloatType, 2, ShaderProgram::NoNormalize)) { cout << d->program->error() << endl; } // Set up our uniforms (model-view and projection matrices right now). if (!d->program->setUniformValue("modelView", camera.modelView().matrix())) { cout << d->program->error() << endl; } if (!d->program->setUniformValue("projection", camera.projection().matrix())) { cout << d->program->error() << endl; } if (!d->program->setUniformValue("opacity", m_opacity)) { cout << d->program->error() << endl; } // Render the loaded spheres using the shader and bound VBO. glDrawRangeElements(GL_TRIANGLES, 0, static_cast(d->numberOfVertices), static_cast(d->numberOfIndices), GL_UNSIGNED_INT, (const GLvoid*)nullptr); d->vbo.release(); d->ibo.release(); d->program->disableAttributeArray("vector"); d->program->disableAttributeArray("color"); d->program->disableAttributeArray("texCoordinates"); d->program->release(); } std::multimap SphereGeometry::hits( const Vector3f& rayOrigin, const Vector3f& rayEnd, const Vector3f& rayDirection) const { std::multimap result; // Check for intersection. for (size_t i = 0; i < m_spheres.size(); ++i) { const SphereColor& sphere = m_spheres[i]; Vector3f distance = sphere.center - rayOrigin; float B = distance.dot(rayDirection); float C = distance.dot(distance) - (sphere.radius * sphere.radius); float D = B * B - C; // Test for intersection if (D < 0.0f) continue; // Test for clipping if (B < 0.0f || (sphere.center - rayEnd).dot(rayDirection) > 0.0f) continue; Identifier id; id.molecule = m_identifier.molecule; id.type = m_identifier.type; id.index = m_indices[i]; if (id.type != InvalidType) { auto rootD = static_cast(sqrt(D)); float depth = std::min(std::abs(B + rootD), std::abs(B - rootD)); result.insert(std::pair(depth, id)); } } return result; } Array SphereGeometry::areaHits(const Frustrum& f) const { Array result; // Check for intersection. for (size_t i = 0; i < m_spheres.size(); ++i) { const SphereColor& sphere = m_spheres[i]; int in = 0; for (in = 0; in < 4; ++in) { float dist = (sphere.center - f.points[2 * in]).dot(f.planes[in]); if (dist > 0.0f) { // Outside of our frustrum, break. break; } } if (in == 4) { // The center is within the four planes that make our frustrum - hit. Identifier id; id.molecule = m_identifier.molecule; id.type = m_identifier.type; id.index = m_indices[i]; result.push_back(id); } } return result; } void SphereGeometry::addSphere(const Vector3f& position, const Vector3ub& color, float radius, size_t index) { m_dirty = true; m_spheres.push_back(SphereColor(position, radius, color)); m_indices.push_back(index == MaxIndex ? m_indices.size() : index); } void SphereGeometry::clear() { m_spheres.clear(); m_indices.clear(); } } // End namespace Avogadro avogadrolibs-1.100.0/avogadro/rendering/spheregeometry.h000066400000000000000000000073071474375334400233440ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_SPHEREGEOMETRY_H #define AVOGADRO_RENDERING_SPHEREGEOMETRY_H #include "drawable.h" #include #include namespace Avogadro { namespace Rendering { struct SphereColor { SphereColor(Vector3f centre, float r, Vector3ub c) : center(centre), radius(r), color(c) {} Vector3f center; float radius; Vector3ub color; }; /** * @class SphereGeometry spheregeometry.h * @brief The SphereGeometry class contains one or more spheres. * @author Marcus D. Hanwell * * This Drawable is capable of storing the geometry for one or more spheres. * A sphere is defined by a center point, a radius and a color. If the * spheres are not a densely packed one-to-one mapping with the objects indices * they can also optionally use an identifier that will point to some numeric * ID for the purposes of picking. */ class AVOGADRORENDERING_EXPORT SphereGeometry : public Drawable { public: SphereGeometry(); SphereGeometry(const SphereGeometry& other); ~SphereGeometry() override; SphereGeometry& operator=(SphereGeometry); friend void swap(SphereGeometry& lhs, SphereGeometry& rhs); /** * Accept a visit from our friendly visitor. */ void accept(Visitor&) override; /** * @brief Update the VBOs, IBOs etc ready for rendering. */ void update(); /** * @brief Render the sphere geometry. * @param camera The current camera to be used for rendering. */ void render(const Camera& camera) override; /** * Return the primitives that are hit by the ray. * @param rayOrigin Origin of the ray. * @param rayEnd End point of the ray. * @param rayDirection Normalized direction of the ray. * @return Sorted collection of primitives that were hit. */ std::multimap hits( const Vector3f& rayOrigin, const Vector3f& rayEnd, const Vector3f& rayDirection) const override; /** * Return the primitives within the supplied frustrum. */ Core::Array areaHits(const Frustrum& f) const override; /** * Set the opacity of the spheres in this group. */ void setOpacity(float o) { m_opacity = o; if (o < 1.0f) setRenderPass(TranslucentPass); } /** * Add a sphere to the geometry object. */ void addSphere(const Vector3f& position, const Vector3ub& color, float radius, size_t index = MaxIndex); /** * Get a reference to the spheres. */ Core::Array& spheres() { return m_spheres; } const Core::Array& spheres() const { return m_spheres; } /** * Clear the contents of the node. */ void clear() override; /** * Get the number of spheres in the node object. */ size_t size() const { return m_spheres.size(); } private: Core::Array m_spheres; Core::Array m_indices; bool m_dirty; float m_opacity = 1.0f; class Private; Private* d; }; inline SphereGeometry& SphereGeometry::operator=(SphereGeometry other) { using std::swap; swap(*this, other); return *this; } inline void swap(SphereGeometry& lhs, SphereGeometry& rhs) { using std::swap; swap(static_cast(lhs), static_cast(rhs)); swap(lhs.m_spheres, rhs.m_spheres); swap(lhs.m_indices, rhs.m_indices); lhs.m_dirty = rhs.m_dirty = true; } } // End namespace Rendering } // End namespace Avogadro #endif // AVOGADRO_RENDERING_SPHEREGEOMETRY_H avogadrolibs-1.100.0/avogadro/rendering/spheres_fs.glsl000066400000000000000000000016621474375334400231530ustar00rootroot00000000000000varying vec2 v_texCoord; varying vec4 eyePosition; varying vec3 fColor; uniform mat3 normal; varying float radius; uniform float opacity; uniform mat4 projection; void main() { // Figure out if we are inside our sphere. float zz = 1.0 - v_texCoord.x*v_texCoord.x - v_texCoord.y*v_texCoord.y; if (zz <= 0.0) discard; vec3 N = vec3(v_texCoord, sqrt(zz)); vec3 L = normalize(vec3(0, 1, 1)); vec3 E = vec3(0, 0, 1); vec3 H = normalize(L + E); float df = max(0.0, dot(N, L)); // cos_alpha float sf = max(0.0, dot(N, H)); // cos_beta vec3 ambient = 0.4 * fColor; vec3 diffuse = 0.55 * fColor; vec3 specular = 0.5 * (vec3(1, 1, 1) - fColor); vec3 color = ambient + df * diffuse + pow(sf, 20.0) * specular; gl_FragColor = vec4(color, opacity); // determine fragment depth vec4 pos = eyePosition; pos.z += N.z * radius;//The radius is 1.0 pos = projection * pos; gl_FragDepth = (pos.z / pos.w + 1.0) / 2.0; } avogadrolibs-1.100.0/avogadro/rendering/spheres_vs.glsl000066400000000000000000000015201474375334400231640ustar00rootroot00000000000000attribute vec4 vertex; attribute vec3 color; attribute vec2 texCoordinate; varying vec2 v_texCoord; varying vec3 fColor; varying vec4 eyePosition; varying float radius; uniform mat4 modelView; uniform mat4 projection; void main() { radius = abs(texCoordinate.x); fColor = color; v_texCoord = texCoordinate / radius; gl_Position = modelView * vertex; eyePosition = gl_Position; // Test if the closest point on the sphere would be clipped. vec4 clipTestNear = eyePosition; clipTestNear.z += radius; clipTestNear = projection * clipTestNear; if (clipTestNear.z > -clipTestNear.w) { // If not, calculate clip coordinate gl_Position.xy += texCoordinate; gl_Position = projection * gl_Position; } else { // If so, invalidate the clip coordinate to ensure that it will be clipped. gl_Position.w = 0.0; } } avogadrolibs-1.100.0/avogadro/rendering/textlabel2d.cpp000066400000000000000000000015541474375334400230450ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "textlabel2d.h" #include "visitor.h" namespace Avogadro::Rendering { TextLabel2D::TextLabel2D() { setRenderPass(Rendering::Overlay2DPass); } TextLabel2D::~TextLabel2D() { } void TextLabel2D::accept(Visitor& visitor) { visitor.visit(*this); } void TextLabel2D::setAnchor(const Vector2i& windowCoords) { setAnchorInternal(Vector3f(static_cast(windowCoords.x()), static_cast(windowCoords.y()), 0.f)); } Vector2i TextLabel2D::anchor() const { return getAnchorInternal().head<2>().cast(); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/rendering/textlabel2d.h000066400000000000000000000021521474375334400225050ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_TEXTLABEL2D_H #define AVOGADRO_RENDERING_TEXTLABEL2D_H #include "avogadrorenderingexport.h" #include "textlabelbase.h" namespace Avogadro { namespace Rendering { /** * @class TextLabel2D textlabel2d.h * @brief The TextLabel2D class renders text in an overlay plane, anchored to * a point in window coordinates. */ class AVOGADRORENDERING_EXPORT TextLabel2D : public TextLabelBase { public: TextLabel2D(); ~TextLabel2D() override; void accept(Visitor&) override; /** * The anchor point in window coordinates, taking the origin at the upper-left * corner. * @{ */ void setAnchor(const Vector2i& windowCoords); Vector2i anchor() const; /** @} */ }; } // namespace Rendering } // namespace Avogadro #endif // AVOGADRO_RENDERING_TEXTLABEL2D_H avogadrolibs-1.100.0/avogadro/rendering/textlabel3d.cpp000066400000000000000000000015421474375334400230430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "textlabel3d.h" #include "visitor.h" namespace Avogadro::Rendering { TextLabel3D::TextLabel3D() { setRenderPass(TranslucentPass); } TextLabel3D::~TextLabel3D() { } void TextLabel3D::accept(Visitor& visitor) { visitor.visit(*this); } void TextLabel3D::setAnchor(const Vector3f& position) { setAnchorInternal(position); } Vector3f TextLabel3D::anchor() const { return getAnchorInternal(); } void TextLabel3D::setRadius(float r) { setRadiusInternal(r); } float TextLabel3D::radius() const { return getRadiusInternal(); } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/rendering/textlabel3d.h000066400000000000000000000024511474375334400225100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_TEXTLABEL3D_H #define AVOGADRO_RENDERING_TEXTLABEL3D_H #include "avogadrorenderingexport.h" #include "textlabelbase.h" namespace Avogadro { namespace Rendering { /** * @class TextLabel3D textlabel3d.h * @brief The TextLabel3D class renders billboarded text that is anchored to a * point in world coordinates. */ class AVOGADRORENDERING_EXPORT TextLabel3D : public TextLabelBase { public: TextLabel3D(); ~TextLabel3D() override; void accept(Visitor&) override; /** * The anchor position in world coordinates. * @{ */ void setAnchor(const Vector3f& position); Vector3f anchor() const; /** @} */ /** * The distance to project the label towards the camera from the anchor point. * Useful for moving the label on top of, e.g. atom spheres. 0.f by default. * @{ */ void setRadius(float r); float radius() const; /** @} */ }; } // namespace Rendering } // namespace Avogadro #endif // AVOGADRO_RENDERING_TEXTLABEL3D_H avogadrolibs-1.100.0/avogadro/rendering/textlabelbase.cpp000066400000000000000000000236021474375334400234500ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "textlabelbase.h" #include "avogadrogl.h" #include "bufferobject.h" #include "camera.h" #include "shader.h" #include "shaderprogram.h" #include "textrenderstrategy.h" #include "texture2d.h" #include "visitor.h" #include #include #include namespace { #include "textlabelbase_fs.h" #include "textlabelbase_vs.h" } // namespace #include using Avogadro::Core::Array; namespace Avogadro::Rendering { class TextLabelBase::RenderImpl { public: struct PackedVertex { Vector2i offset; // 8 bytes (8) Vector2f tcoord; // 8 bytes (16) PackedVertex() : offset(0, 0), tcoord(0.f, 0.f) {} static int offsetOffset() { return 0; } static int tcoordOffset() { return static_cast(sizeof(Vector2i)); } }; // Actual vertex data Array vertices; BufferObject vbo; // Sentinels: bool shadersInvalid; bool textureInvalid; bool vboInvalid; // Uniforms: Vector3f anchor; float radius; Texture2D texture; // Shaders inline static Shader* vertexShader = nullptr; inline static Shader* fragmentShader = nullptr; inline static ShaderProgram* shaderProgram = nullptr; RenderImpl(); ~RenderImpl() {} void setTextureData(const Array& buffer, const Vector2i& dimensions); void setOffsets(const Vector2i& dimensions, TextProperties::HAlign hAlign, TextProperties::VAlign vAlign); void render(const Camera& cam); void compileShaders(); void uploadVbo(); }; TextLabelBase::RenderImpl::RenderImpl() : vertices(4), shadersInvalid(true), textureInvalid(true), vboInvalid(true), radius(0.0) { texture.setMinFilter(Texture2D::Linear); texture.setMagFilter(Texture2D::Linear); texture.setWrappingS(Texture2D::ClampToEdge); texture.setWrappingT(Texture2D::ClampToEdge); } void TextLabelBase::RenderImpl::setTextureData( const Array& buffer, const Vector2i& dimensions) { // Calculate texture coordinates. This centers each texel on a pixel: const Vector2f dimsF(dimensions.cast()); const Vector2f denoms(dimsF * 2.f); const float uMin = 1.f / denoms[0]; const float vMin = 1.f / denoms[1]; const float uMax = ((2.f * dimsF[0]) - 1.f) / denoms[0]; const float vMax = ((2.f * dimsF[1]) - 1.f) / denoms[1]; vertices[0].tcoord = Vector2f(uMin, vMin); vertices[1].tcoord = Vector2f(uMax, vMin); vertices[2].tcoord = Vector2f(uMin, vMax); vertices[3].tcoord = Vector2f(uMax, vMax); vboInvalid = true; // Upload texture texture.upload(buffer, dimensions, Texture2D::IncomingRGBA, Texture2D::InternalRGBA); textureInvalid = false; } void TextLabelBase::RenderImpl::setOffsets(const Vector2i& dimensions, TextProperties::HAlign hAlign, TextProperties::VAlign vAlign) { Vector2i& tl = vertices[0].offset; Vector2i& tr = vertices[1].offset; Vector2i& bl = vertices[2].offset; Vector2i& br = vertices[3].offset; switch (hAlign) { case TextProperties::HLeft: bl.x() = tl.x() = 0; br.x() = tr.x() = dimensions.x() - 1; break; case TextProperties::HCenter: bl.x() = tl.x() = -(dimensions.x() / 2); br.x() = tr.x() = dimensions.x() / 2 + (dimensions.x() % 2 == 0 ? 1 : 0); break; case TextProperties::HRight: bl.x() = tl.x() = -(dimensions.x() - 1); br.x() = tr.x() = 0; break; } switch (vAlign) { case TextProperties::VTop: bl.y() = br.y() = -(dimensions.y() - 1); tl.y() = tr.y() = 0; break; case TextProperties::VCenter: bl.y() = br.y() = -(dimensions.y() / 2); tl.y() = tr.y() = dimensions.y() / 2 - (dimensions.y() % 2 == 0 ? 1 : 0); break; case TextProperties::VBottom: bl.y() = br.y() = 0; tl.y() = tr.y() = dimensions.y() - 1; break; } vboInvalid = true; } void TextLabelBase::RenderImpl::render(const Camera& cam) { // The texture should be valid at this point. if (textureInvalid) { std::cerr << "Unable to render text label -- no texture set. " "This is a bug." << std::endl; return; } // Prepare GL if (shadersInvalid) compileShaders(); if (vboInvalid) uploadVbo(); const Matrix4f mv(cam.modelView().matrix()); const Matrix4f proj(cam.projection().matrix()); const Vector2i vpDims(cam.width(), cam.height()); // Bind vbo if (!vbo.bind()) { std::cerr << "Error while binding TextLabelBase VBO: " << vbo.error() << std::endl; return; } // Setup shaders if (!shaderProgram->bind() || !shaderProgram->setUniformValue("mv", mv) || !shaderProgram->setUniformValue("proj", proj) || !shaderProgram->setUniformValue("vpDims", vpDims) || !shaderProgram->setUniformValue("anchor", anchor) || !shaderProgram->setUniformValue("radius", radius) || !shaderProgram->setTextureSampler("texture", texture) || !shaderProgram->enableAttributeArray("offset") || !shaderProgram->useAttributeArray("offset", PackedVertex::offsetOffset(), sizeof(PackedVertex), IntType, 2, ShaderProgram::NoNormalize) || !shaderProgram->enableAttributeArray("texCoord") || !shaderProgram->useAttributeArray( "texCoord", PackedVertex::tcoordOffset(), sizeof(PackedVertex), FloatType, 2, ShaderProgram::NoNormalize)) { std::cerr << "Error setting up TextLabelBase shader program: " << shaderProgram->error() << std::endl; vbo.release(); shaderProgram->release(); return; } // Draw texture glDrawArrays(GL_TRIANGLE_STRIP, 0, 4); // Release resources: shaderProgram->disableAttributeArray("texCoords"); shaderProgram->disableAttributeArray("offset"); shaderProgram->release(); vbo.release(); } void TextLabelBase::RenderImpl::compileShaders() { if (vertexShader != nullptr && fragmentShader != nullptr && shaderProgram != nullptr) return; if (vertexShader == nullptr) vertexShader = new Shader; vertexShader->setType(Shader::Vertex); vertexShader->setSource(textlabelbase_vs); if (!vertexShader->compile()) { std::cerr << vertexShader->error() << std::endl; return; } if (fragmentShader == nullptr) fragmentShader = new Shader; fragmentShader->setType(Shader::Fragment); fragmentShader->setSource(textlabelbase_fs); if (!fragmentShader->compile()) { std::cerr << fragmentShader->error() << std::endl; return; } if (shaderProgram == nullptr) shaderProgram = new ShaderProgram; shaderProgram->attachShader(*vertexShader); shaderProgram->attachShader(*fragmentShader); if (!shaderProgram->link()) { std::cerr << shaderProgram->error() << std::endl; return; } /* shaderProgram->detachShader(vertexShader); shaderProgram->detachShader(fragmentShader); vertexShader->cleanup(); fragmentShader->cleanup(); */ shadersInvalid = false; } void TextLabelBase::RenderImpl::uploadVbo() { if (!vbo.upload(vertices, BufferObject::ArrayBuffer)) std::cerr << "TextLabelBase VBO error: " << vbo.error() << std::endl; else vboInvalid = false; } TextLabelBase::TextLabelBase() : m_render(new RenderImpl) {} TextLabelBase::TextLabelBase(const TextLabelBase& other) : Drawable(other), m_text(other.m_text), m_textProperties(other.m_textProperties), m_imageDimensions(other.m_imageDimensions), m_imageRgba(other.m_imageRgba), m_render(new RenderImpl) { } TextLabelBase::~TextLabelBase() { delete m_render; } void TextLabelBase::render(const Camera& camera) { m_render->render(camera); } void TextLabelBase::buildTexture(const TextRenderStrategy& tren) { if (!m_render->textureInvalid) return; // Determine texture size and allocate buffer int bbox[4]; tren.boundingBox(m_text, m_textProperties, bbox); const Vector2i newDims(bbox[1] - bbox[0] + 1, bbox[3] - bbox[2] + 1); if (newDims != m_imageDimensions) { m_imageDimensions = newDims; m_render->setOffsets(m_imageDimensions, m_textProperties.hAlign(), m_textProperties.vAlign()); } const size_t bytesPerPixel = 4; // RGBA m_imageRgba.resize( static_cast(m_imageDimensions[0] * m_imageDimensions[1]) * bytesPerPixel); // Render the text to the buffer if (m_imageRgba.size() > 0) { tren.render(m_text, m_textProperties, m_imageRgba.data(), m_imageDimensions); } m_render->setTextureData(m_imageRgba, m_imageDimensions); } void TextLabelBase::setText(const std::string& str) { if (str != m_text) { m_text = str; m_render->textureInvalid = true; } } const std::string& TextLabelBase::text() const { return m_text; } void TextLabelBase::setTextProperties(const TextProperties& tprop) { if (tprop != m_textProperties) { m_textProperties = tprop; m_render->textureInvalid = true; m_render->setOffsets(m_imageDimensions, tprop.hAlign(), tprop.vAlign()); } } const TextProperties& TextLabelBase::textProperties() const { return m_textProperties; } void TextLabelBase::resetTexture() { m_render->textureInvalid = true; } void TextLabelBase::setAnchorInternal(const Vector3f& a) { m_render->anchor = a; } Vector3f TextLabelBase::getAnchorInternal() const { return m_render->anchor; } void TextLabelBase::setRadiusInternal(float radius) { m_render->radius = radius; } float TextLabelBase::getRadiusInternal() const { return m_render->radius; } void TextLabelBase::markDirty() { m_render->shadersInvalid = true; m_render->textureInvalid = true; m_render->vboInvalid = true; } } // namespace Avogadro::Rendering avogadrolibs-1.100.0/avogadro/rendering/textlabelbase.h000066400000000000000000000053731474375334400231220ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_TEXTLABELBASE_H #define AVOGADRO_RENDERING_TEXTLABELBASE_H #include "avogadrorenderingexport.h" #include "drawable.h" #include #include #include namespace Avogadro { namespace Rendering { class TextRenderStrategy; /** * @class TextLabelBase textlabelbase.h * @brief The TextLabelBase class provides a generic implementation of a text * drawable. */ class AVOGADRORENDERING_EXPORT TextLabelBase : public Drawable { public: TextLabelBase(); TextLabelBase(const TextLabelBase& other); ~TextLabelBase() override; TextLabelBase& operator=(TextLabelBase other); friend void swap(TextLabelBase& lhs, TextLabelBase& rhs); void render(const Camera& camera) override; /** * Render the string to the internal texture buffer. * @param tren The text rendering strategy to use. */ void buildTexture(const TextRenderStrategy& tren); /** * The text that will be rendered. * @{ */ void setText(const std::string& str); const std::string& text() const; /** @} */ /** * The properties of the rendered text. * @{ */ void setTextProperties(const TextProperties& tprop); const TextProperties& textProperties() const; /** @} */ /** * Clear the texture, forcing it to be regenerated on the next render. */ void resetTexture(); protected: std::string m_text; TextProperties m_textProperties; Vector2i m_imageDimensions; Core::Array m_imageRgba; // Subclasses use this to update the text position: void setAnchorInternal(const Vector3f& anchor); Vector3f getAnchorInternal() const; // ...and the radius. void setRadiusInternal(float radius); float getRadiusInternal() const; void markDirty(); private: // Container for rendering cache: class RenderImpl; RenderImpl* const m_render; }; inline TextLabelBase& TextLabelBase::operator=(TextLabelBase other) { using std::swap; swap(*this, other); return *this; } inline void swap(TextLabelBase& lhs, TextLabelBase& rhs) { using std::swap; swap(static_cast(lhs), static_cast(rhs)); swap(lhs.m_text, rhs.m_text); swap(lhs.m_textProperties, rhs.m_textProperties); swap(lhs.m_imageDimensions, rhs.m_imageDimensions); swap(lhs.m_imageRgba, rhs.m_imageRgba); lhs.markDirty(); rhs.markDirty(); } } // namespace Rendering } // namespace Avogadro #endif // AVOGADRO_RENDERING_TEXTLABELBASE_H avogadrolibs-1.100.0/avogadro/rendering/textlabelbase_fs.glsl000066400000000000000000000002271474375334400243150ustar00rootroot00000000000000uniform sampler2D texture; varying vec2 texc; void main(void) { gl_FragColor = texture2D(texture, texc); if (gl_FragColor.a == 0.) discard; } avogadrolibs-1.100.0/avogadro/rendering/textlabelbase_vs.glsl000066400000000000000000000034271474375334400243420ustar00rootroot00000000000000// Modelview/projection matrix uniform mat4 mv; uniform mat4 proj; // anchor position uniform vec3 anchor; // Distance to project the label towards the camera uniform float radius; // Vertex attributes. attribute vec2 offset; attribute vec2 texCoord; // Viewport dimensions: uniform ivec2 vpDims; // Texture coordinate. varying vec2 texc; // Given a clip coordinate, align the vertex to the nearest pixel center. void alignToPixelCenter(inout vec4 clipCoord) { // Half pixel increments (clip coord span / [2*numPixels] = [2*w] / [2*l]): vec2 inc = abs(clipCoord.w) / vec2(vpDims); // Fix up coordinates -- pixel centers are at xy = (-w + (2*i + 1) * inc) // for the i'th pixel. First find i and floor it. Just solve the above for i: ivec2 pixels = ivec2(floor((clipCoord.xy + abs(clipCoord.ww) - inc) / (2. * inc))); // Now reapply the equation to obtain a pixel centered offset. clipCoord.xy = -abs(clipCoord.ww) + (2. * vec2(pixels) + vec2(1., 1.)) * inc; } void main(void) { // Transform to eye coordinates: vec4 eyeAnchor = mv * vec4(anchor, 1.0); // Apply radius; eyeAnchor += vec4(0., 0., radius, 0.); // Transform to clip coordinates vec4 clipAnchor = proj * eyeAnchor; // Move the anchor to a pixel center: alignToPixelCenter(clipAnchor); // Align offset to cell centers using the w coordinate: // Since w determines whether or not the vertex is clipped, (-w, w) spans // the width/height of the display. Using the viewport width/height in pixels, // we can properly convert the offset into pixel units. vec2 conv = (2. * abs(clipAnchor.w)) / vec2(vpDims); // Apply the offset: gl_Position = clipAnchor + vec4(offset.x * conv.x, offset.y * conv.y, 0., 0.); // Pass through the texture coordinate texc = texCoord; } avogadrolibs-1.100.0/avogadro/rendering/textproperties.cpp000066400000000000000000000041011474375334400237230ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "textproperties.h" #include namespace Avogadro::Rendering { TextProperties::TextProperties() : m_pixelHeight(24), m_hAlign(HLeft), m_vAlign(VTop), m_rotationDegreesCW(0.f), m_fontFamily(SansSerif), m_fontStyles(NoFontStyle) { setColorRgba(255, 255, 255, 255); } TextProperties::TextProperties(const TextProperties& other) : m_pixelHeight(other.m_pixelHeight), m_hAlign(other.m_hAlign), m_vAlign(other.m_vAlign), m_rotationDegreesCW(other.m_rotationDegreesCW), m_fontFamily(other.m_fontFamily), m_fontStyles(other.m_fontStyles) { m_rgba[0] = other.m_rgba[0]; m_rgba[1] = other.m_rgba[1]; m_rgba[2] = other.m_rgba[2]; m_rgba[3] = other.m_rgba[3]; } TextProperties::~TextProperties() { } TextProperties& TextProperties::operator=(TextProperties other) { swap(other); return *this; } void TextProperties::swap(TextProperties& other) { using std::swap; swap(m_pixelHeight, other.m_pixelHeight); swap(m_hAlign, other.m_hAlign); swap(m_vAlign, other.m_vAlign); swap(m_rotationDegreesCW, other.m_rotationDegreesCW); swap(m_fontFamily, other.m_fontFamily); swap(m_fontStyles, other.m_fontStyles); swap(m_rgba[0], other.m_rgba[0]); swap(m_rgba[1], other.m_rgba[1]); swap(m_rgba[2], other.m_rgba[2]); swap(m_rgba[3], other.m_rgba[3]); } bool TextProperties::operator==(const TextProperties& other) const { return m_pixelHeight == other.m_pixelHeight && m_hAlign == other.m_hAlign && m_vAlign == other.m_vAlign && m_rotationDegreesCW == other.m_rotationDegreesCW && m_fontFamily == other.m_fontFamily && m_fontStyles == other.m_fontStyles && m_rgba[0] == other.m_rgba[0] && m_rgba[1] == other.m_rgba[1] && m_rgba[2] == other.m_rgba[2] && m_rgba[3] == other.m_rgba[3]; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/rendering/textproperties.h000066400000000000000000000147671474375334400234130ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_TEXTPROPERTIES_H #define AVOGADRO_RENDERING_TEXTPROPERTIES_H #include "avogadrorenderingexport.h" #include namespace Avogadro { namespace Rendering { /** * @class TextProperties textproperties.h * @brief The TextProperties class controls formatting options for text. */ class AVOGADRORENDERING_EXPORT TextProperties { public: /** Enum defining a minimal set of font families. */ enum FontFamily { SansSerif, Serif, Mono }; /** Horizontal alignment options. */ enum HAlign { HLeft, HCenter, HRight }; /** Vertical alignment options. */ enum VAlign { VTop, VCenter, VBottom }; /** Flags for style options (bold, italic, ...) */ enum FontStyle { NoFontStyle = 0x0, Bold = 0x1, Italic = 0x2, Underline = 0x4 }; /** Used for bitwise combinations of FontStyle values. */ typedef int FontStyles; TextProperties(); TextProperties(const TextProperties& other); ~TextProperties(); TextProperties& operator=(TextProperties other); void swap(TextProperties& other); bool operator==(const TextProperties& other) const; bool operator!=(const TextProperties& other) const { return !operator==(other); } /** * The height of the text in pixels. */ void setPixelHeight(size_t height) { m_pixelHeight = height; } size_t pixelHeight() const { return m_pixelHeight; } /** @} */ /** * Horizontal alignment of the text. */ void setHAlign(HAlign align) { m_hAlign = align; } HAlign hAlign() const { return m_hAlign; } /** @} */ /** * Vertical alignment of the text. */ void setVAlign(VAlign align) { m_vAlign = align; } VAlign vAlign() const { return m_vAlign; } /** @} */ /** * Set the horizontal and vertical alignment of the quad to the anchor point. */ void setAlign(HAlign hAlign, VAlign vAlign); /** * Rotates the text clockwise. */ void setRotationDegreesCW(float rot) { m_rotationDegreesCW = rot; } float rotationDegreesCW() const { return m_rotationDegreesCW; } /** @} */ /** * The font family. */ void setFontFamily(FontFamily family) { m_fontFamily = family; } FontFamily fontFamily() const { return m_fontFamily; } /** @} */ /** * Font style flags. */ void setFontStyles(FontStyles styles) { m_fontStyles = styles; } FontStyles fontStyles() const { return m_fontStyles; } /** @} */ /** * Toggle bold text. */ void setBold(bool b); bool bold() const; /** @} */ /** * Toggle italic text. */ void setItalic(bool b); bool italic() const; /** @} */ /** * Toggle underlined text. */ void setUnderline(bool b); bool underline() const; /** @} */ /** * Set the color of the text. Components are in the range [0, 255] * @{ */ void setColorRgba(unsigned char r, unsigned char g, unsigned char b, unsigned char a); void setColorRgba(const unsigned char rgba[4]); void setColorRgba(const Vector4ub& rgba); void colorRgba(unsigned char rgba[4]) const; Vector4ub colorRgba() const; void setColorRgb(unsigned char r, unsigned char g, unsigned char b); void setColorRgb(const unsigned char rgb[3]); void setColorRgb(const Vector3ub& rgb); void colorRgb(unsigned char rgb[3]) const; Vector3ub colorRgb() const; void setRed(unsigned char r) { m_rgba[0] = r; } unsigned char red() const { return m_rgba[0]; } void setGreen(unsigned char g) { m_rgba[1] = g; } unsigned char green() const { return m_rgba[1]; } void setBlue(unsigned char b) { m_rgba[2] = b; } unsigned char blue() const { return m_rgba[2]; } void setAlpha(unsigned char a) { m_rgba[3] = a; } unsigned char alpha() const { return m_rgba[3]; } /** @} */ private: size_t m_pixelHeight; HAlign m_hAlign; VAlign m_vAlign; float m_rotationDegreesCW; FontFamily m_fontFamily; FontStyles m_fontStyles; unsigned char m_rgba[4]; }; inline void TextProperties::setAlign(TextProperties::HAlign h, TextProperties::VAlign v) { setHAlign(h); setVAlign(v); } inline void TextProperties::setBold(bool b) { if (b) m_fontStyles |= Bold; else m_fontStyles &= ~Bold; } inline bool TextProperties::bold() const { return (m_fontStyles & Bold) != 0; } inline void TextProperties::setItalic(bool b) { if (b) m_fontStyles |= Italic; else m_fontStyles &= ~Italic; } inline bool TextProperties::italic() const { return (m_fontStyles & Italic) != 0; } inline void TextProperties::setUnderline(bool b) { if (b) m_fontStyles |= Underline; else m_fontStyles &= ~Underline; } inline bool TextProperties::underline() const { return (m_fontStyles & Underline) != 0; } inline void TextProperties::setColorRgba(unsigned char r, unsigned char g, unsigned char b, unsigned char a) { m_rgba[0] = r; m_rgba[1] = g; m_rgba[2] = b; m_rgba[3] = a; } inline void TextProperties::setColorRgba(const unsigned char rgba[4]) { m_rgba[0] = rgba[0]; m_rgba[1] = rgba[1]; m_rgba[2] = rgba[2]; m_rgba[3] = rgba[3]; } inline void TextProperties::setColorRgba(const Vector4ub& rgba) { setColorRgba(rgba.data()); } inline void TextProperties::colorRgba(unsigned char rgba[4]) const { rgba[0] = m_rgba[0]; rgba[1] = m_rgba[1]; rgba[2] = m_rgba[2]; rgba[3] = m_rgba[3]; } inline Vector4ub TextProperties::colorRgba() const { return Vector4ub(m_rgba); } inline void TextProperties::setColorRgb(unsigned char r, unsigned char g, unsigned char b) { m_rgba[0] = r; m_rgba[1] = g; m_rgba[2] = b; } inline void TextProperties::setColorRgb(const unsigned char rgb[3]) { m_rgba[0] = rgb[0]; m_rgba[1] = rgb[1]; m_rgba[2] = rgb[2]; } inline void TextProperties::setColorRgb(const Vector3ub& rgb) { setColorRgb(rgb.data()); } inline void TextProperties::colorRgb(unsigned char rgb[3]) const { rgb[0] = m_rgba[0]; rgb[1] = m_rgba[1]; rgb[2] = m_rgba[2]; } inline Vector3ub TextProperties::colorRgb() const { return Vector3ub(m_rgba); } inline void swap(TextProperties& lhs, TextProperties& rhs) { lhs.swap(rhs); } } // namespace Rendering } // namespace Avogadro #endif // AVOGADRO_RENDERING_TEXTPROPERTIES_H avogadrolibs-1.100.0/avogadro/rendering/textrenderstrategy.cpp000066400000000000000000000007401474375334400245760ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "textrenderstrategy.h" namespace Avogadro::Rendering { TextRenderStrategy::TextRenderStrategy() { } TextRenderStrategy::~TextRenderStrategy() { } } // end namespace Avogadro avogadrolibs-1.100.0/avogadro/rendering/textrenderstrategy.h000066400000000000000000000035711474375334400242500ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_TEXTRENDERSTRATEGY_H #define AVOGADRO_RENDERING_TEXTRENDERSTRATEGY_H #include "avogadrorenderingexport.h" #include #include namespace Avogadro { namespace Rendering { class TextProperties; /** * @class TextRenderStrategy textrenderstrategy.h * * @brief The TextRenderStrategy class defines an interface for generating * text images. */ class AVOGADRORENDERING_EXPORT TextRenderStrategy { public: TextRenderStrategy(); virtual ~TextRenderStrategy(); /** * Copy the current TextRenderStrategy implementation into an new object. */ virtual TextRenderStrategy* newInstance() const = 0; /** * @brief Calculate a bounding box. * @param string The text. * @param tprop The properties. * @param bbox The result in pixels (left, right, top, bottom). */ virtual void boundingBox(const std::string& string, const TextProperties& tprop, int bbox[4]) const = 0; /** * @brief render Render the string. * @param string The text. * @param tprop The properties. * @param buffer The target. Must be dims[0]*dims[1]*4 * bytes. The buffer will be filled with RGBA image data, with the top * scan row at the beginning. * @param dims Dimensions in pixels of the target buffer. */ virtual void render(const std::string& string, const TextProperties& tprop, unsigned char* buffer, const Vector2i& dims) const = 0; }; } // namespace Rendering } // namespace Avogadro #endif // AVOGADRO_RENDERING_TEXTRENDERSTRATEGY_H avogadrolibs-1.100.0/avogadro/rendering/texture2d.cpp000066400000000000000000000153411474375334400225600ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "texture2d.h" #include "avogadrogl.h" namespace Avogadro::Rendering { namespace { GLint convertFilterOptionToGL(Texture2D::FilterOption opt) { switch (opt) { case Texture2D::Nearest: return GL_NEAREST; case Texture2D::Linear: return GL_LINEAR; default: return -1; } } Texture2D::FilterOption convertFilterOptionFromGL(GLint opt) { switch (opt) { case GL_NEAREST: return Texture2D::Nearest; case GL_LINEAR: return Texture2D::Linear; default: return Texture2D::InvalidFilter; } } GLint convertWrappingOptionToGL(Texture2D::WrappingOption opt) { switch (opt) { case Texture2D::ClampToEdge: return GL_CLAMP_TO_EDGE; case Texture2D::MirroredRepeat: return GL_MIRRORED_REPEAT; case Texture2D::Repeat: return GL_REPEAT; default: return -1; } } Texture2D::WrappingOption convertWrappingOptionFromGL(GLint opt) { switch (opt) { case GL_CLAMP_TO_EDGE: return Texture2D::ClampToEdge; case GL_MIRRORED_REPEAT: return Texture2D::MirroredRepeat; case GL_REPEAT: return Texture2D::Repeat; default: return Texture2D::InvalidWrapping; } } GLint convertInternalFormatToGL(Texture2D::InternalFormat fmt) { switch (fmt) { case Texture2D::InternalDepth: return GL_DEPTH_COMPONENT; case Texture2D::InternalDepthStencil: return GL_DEPTH_STENCIL; case Texture2D::InternalR: return GL_RED; case Texture2D::InternalRG: return GL_RG; case Texture2D::InternalRGB: return GL_RGB; case Texture2D::InternalRGBA: return GL_RGBA; default: return -1; } } GLint convertIncomingFormatToGL(Texture2D::IncomingFormat fmt) { switch (fmt) { case Texture2D::IncomingR: return GL_RED; case Texture2D::IncomingRG: return GL_RG; case Texture2D::IncomingRGB: return GL_RGB; case Texture2D::IncomingBGR: return GL_BGR; case Texture2D::IncomingRGBA: return GL_RGBA; case Texture2D::IncomingBGRA: return GL_BGRA; case Texture2D::IncomingDepth: return GL_DEPTH_COMPONENT; case Texture2D::IncomingDepthStencil: return GL_DEPTH_STENCIL; default: return -1; } } GLenum convertTypeToGL(Type type) { switch (type) { case CharType: return GL_BYTE; case UCharType: return GL_UNSIGNED_BYTE; case ShortType: return GL_SHORT; case UShortType: return GL_UNSIGNED_SHORT; case IntType: return GL_INT; case UIntType: return GL_UNSIGNED_INT; case FloatType: return GL_FLOAT; case DoubleType: return GL_DOUBLE; default: return 0; } } } // end anon namespace class Texture2D::Private { public: Private() : textureId(0) {} ~Private() { if (textureId > 0) glDeleteTextures(1, &textureId); } mutable GLuint textureId; }; Texture2D::Texture2D() : d(new Private) { } Texture2D::~Texture2D() { delete d; } Index Texture2D::handle() const { return static_cast(d->textureId); } void Texture2D::setMinFilter(Texture2D::FilterOption opt) { Index old = pushTexture(); glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_MIN_FILTER, convertFilterOptionToGL(opt)); popTexture(old); } Texture2D::FilterOption Texture2D::minFilter() const { Index old = pushTexture(); GLint result; glGetTexParameteriv(GL_TEXTURE_2D, GL_TEXTURE_MIN_FILTER, &result); popTexture(old); return convertFilterOptionFromGL(result); } void Texture2D::setMagFilter(Texture2D::FilterOption opt) { Index old = pushTexture(); glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_MAG_FILTER, convertFilterOptionToGL(opt)); popTexture(old); } Texture2D::FilterOption Texture2D::magFilter() const { Index old = pushTexture(); GLint result; glGetTexParameteriv(GL_TEXTURE_2D, GL_TEXTURE_MAG_FILTER, &result); popTexture(old); return convertFilterOptionFromGL(result); } void Texture2D::setWrappingS(Texture2D::WrappingOption opt) { Index old = pushTexture(); glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_WRAP_S, convertWrappingOptionToGL(opt)); popTexture(old); } Texture2D::WrappingOption Texture2D::wrappingS() const { Index old = pushTexture(); GLint result; glGetTexParameteriv(GL_TEXTURE_2D, GL_TEXTURE_WRAP_S, &result); popTexture(old); return convertWrappingOptionFromGL(result); } void Texture2D::setWrappingT(Texture2D::WrappingOption opt) { Index old = pushTexture(); glTexParameteri(GL_TEXTURE_2D, GL_TEXTURE_WRAP_T, convertWrappingOptionToGL(opt)); popTexture(old); } Texture2D::WrappingOption Texture2D::wrappingT() const { Index old = pushTexture(); GLint result; glGetTexParameteriv(GL_TEXTURE_2D, GL_TEXTURE_WRAP_T, &result); popTexture(old); return convertWrappingOptionFromGL(result); } bool Texture2D::bind() const { return pushTexture() != MaxIndex; } bool Texture2D::release() const { popTexture(0); return true; } bool Texture2D::uploadInternal(const void* buffer, const Vector2i& dims, Texture2D::IncomingFormat dataFormat, Avogadro::Type dataType, Texture2D::InternalFormat internalFormat) { // The dataType has already been validated. Index old = pushTexture(); glTexImage2D(GL_TEXTURE_2D, 0, convertInternalFormatToGL(internalFormat), dims[0], dims[1], 0, convertIncomingFormatToGL(dataFormat), convertTypeToGL(dataType), static_cast(const_cast(buffer))); popTexture(old); return true; } Index Texture2D::pushTexture() const { GLint currentHandle; glGetIntegerv(GL_TEXTURE_BINDING_2D, ¤tHandle); if (d->textureId == 0) { if (!const_cast(this)->generateTextureHandle()) return MaxIndex; } glBindTexture(GL_TEXTURE_2D, d->textureId); return static_cast(currentHandle); } void Texture2D::popTexture(Index id) const { glBindTexture(GL_TEXTURE_2D, static_cast(id)); } bool Texture2D::generateTextureHandle() { if (d->textureId > 0) { m_error = "Refusing to overwrite existing texture handle."; return false; } glGenTextures(1, &d->textureId); if (d->textureId == 0) { m_error = "Error generating texture handle."; return false; } // Set up defaults to match the documentation: setMinFilter(Linear); setMagFilter(Linear); setWrappingS(Repeat); setWrappingT(Repeat); return true; } } // namespace Avogadro avogadrolibs-1.100.0/avogadro/rendering/texture2d.h000066400000000000000000000160431474375334400222250ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_TEXTURE2D_H #define AVOGADRO_RENDERING_TEXTURE2D_H #include "avogadrorenderingexport.h" #include #include #include namespace Avogadro { namespace Rendering { /** * @class Texture2D texture2d.h * @brief The Texture2D class manages texture resources in graphics libraries. */ class AVOGADRORENDERING_EXPORT Texture2D { public: /** * @brief The FilterOption enum defines options for interpolating * texels onto pixels. */ enum FilterOption { InvalidFilter = -1, /// Use the nearest texel for the pixel value. Nearest = 0, /// Interpolate the four neighboring texels for the pixel value. Linear }; /** * @brief The WrappingOption enum defines options for handling texture * coordinates outside of the range [0, 1]. Note that these are specified * separately for each dimension of the texture. */ enum WrappingOption { InvalidWrapping = -1, /// Use the texel at the nearest edge. ClampToEdge = 0, /// Repeat the texels such that texture coordinates in the range [1, 2] map /// to [1, 0]; [2, 3] map to [0, 1], and so on. MirroredRepeat, /// Repeat the texels such that integer components of the texture /// coordinates are ignored (e.g. 1.7 becomes 0.7, 2.3 becomes 0.3, etc). Repeat }; /** * @brief The InternalFormat enum defines how the texture data will be stored * by the graphics library implementation. */ enum InternalFormat { InvalidInternalFormat = -1, /// Each element is a single depth component. InternalDepth = 0, /// Each element contains a depth component and a stencil value. InternalDepthStencil, /// Each element contains a single color value. InternalR, /// Each element contains two color values. InternalRG, /// Each element contains three color values. InternalRGB, /// Each element contains four color values. InternalRGBA }; /** * @brief The IncomingFormat enum defines the supported formats for incoming * texture data. */ enum IncomingFormat { InvalidIncomingFormat = -1, /// Each element is a single red component. IncomingR = 0, /// Each element is a red then green component. IncomingRG, /// Each element is a red, green, then blue component. IncomingRGB, /// Each element is a blue, green, then red component. IncomingBGR, /// Each element is a red, green, blue, then alpha component. IncomingRGBA, /// Each element is a blue, green, red, then alpha component. IncomingBGRA, /// Each element is a single depth component. IncomingDepth, /// Each element is a depth component followed by a stencil value. IncomingDepthStencil }; Texture2D(); ~Texture2D(); /** A unique integer value identifying the texture. */ Index handle() const; /** True if the texture is ready to use. */ bool ready() const { return !m_dirty; } /** Filtering options for interpolating pixel values. Default is Linear. {@ */ void setMinFilter(FilterOption opt); FilterOption minFilter() const; void setMagFilter(FilterOption opt); FilterOption magFilter() const; /** @} */ /** Wrapping options in the s-direction. Default is Repeat. @{ */ void setWrappingS(WrappingOption opt); WrappingOption wrappingS() const; /** @} */ /** Wrapping options in the t-direction. Default is Repeat. @{ */ void setWrappingT(WrappingOption opt); WrappingOption wrappingT() const; /** @} */ /** * Upload a buffer of texture data to the graphics library. * * @param buffer The texture data (see below for requirements of ContainerT). * @param dims The width and height of the texture data. * @param dataFormat The ordering of components in the buffer data. * @param internalFormat The internal storage ordering of components in the * buffer data. * * The buffer must contain homogeneous elements of the follow types: unsigned * char, char, unsigned short, short, unsigned int, int, or float. * * The first element of @a buffer is the lower-left texel. Subsequent elements * are ordered such that rows are contiguous, moving right and up. * * The ContainerT must satisfy the following requirements (short version: * use std::vector or Avogadro::Core::Array): * - ContainerT must have tightly packed values of ContainerT::value_type * - elements must be accessible by reference via ContainerT::operator[]. * - ContainerT::size() must return the number of elements in the container * as integral type ContainerT::size_type. */ template bool upload(const ContainerT& buffer, const Vector2i& dims, IncomingFormat dataFormat, InternalFormat internalFormat); /** Bind the texture for rendering. */ bool bind() const; bool release() const; std::string error() const { return m_error; } private: bool uploadInternal(const void* buffer, const Vector2i& dims, IncomingFormat dataFormat, Avogadro::Type dataType, InternalFormat internalFormat); // Used to preserve GL state when setting/querying texture properties: Index pushTexture() const; // -1 indicates error void popTexture(Index) const; // Create a texture handle and set the defaults. bool generateTextureHandle(); class Private; Private* const d; bool m_dirty; mutable std::string m_error; }; template inline bool Texture2D::upload(const ContainerT& buffer, const Vector2i& dims, IncomingFormat incomingFormat, InternalFormat internalFormat) { if (buffer.size() == 0 || dims[0] == 0 || dims[1] == 0) { m_error = "Refusing to upload empty array."; return false; } if (buffer.size() < static_cast(dims[0] * dims[1])) { m_error = "Buffer data is smaller than specified dimensions."; return false; } using Avogadro::Type; // Not to be confused with Avogadro::Rendering::Type... Type incomingType = static_cast(TypeTraits::EnumValue); switch (incomingType) { case Avogadro::CharType: case Avogadro::UCharType: case Avogadro::ShortType: case Avogadro::UShortType: case Avogadro::IntType: case Avogadro::UIntType: case Avogadro::FloatType: break; default: m_error = "Unsupported type for texture data: '"; m_error += TypeTraits::name(); m_error += "'."; return false; } return uploadInternal(&buffer[0], dims, incomingFormat, incomingType, internalFormat); } } // namespace Rendering } // namespace Avogadro #endif // AVOGADRO_RENDERING_TEXTURE2D_H avogadrolibs-1.100.0/avogadro/rendering/transformnode.cpp000066400000000000000000000007421474375334400235120ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "transformnode.h" namespace Avogadro::Rendering { TransformNode::TransformNode(GroupNode* p) : GroupNode(p) { } TransformNode::~TransformNode() { } } // End namespace Avogadro avogadrolibs-1.100.0/avogadro/rendering/transformnode.h000066400000000000000000000016751474375334400231650ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_TRANSFORMNODE_H #define AVOGADRO_RENDERING_TRANSFORMNODE_H #include "groupnode.h" namespace Avogadro { namespace Rendering { /** * @class TransformNode transformnode.h * @brief The TransformNode class applies a transform to all child nodes. * @author Marcus D. Hanwell * * @todo This is currently a stub and does nothing. */ class AVOGADRORENDERING_EXPORT TransformNode : public GroupNode { public: explicit TransformNode(GroupNode* parent = nullptr); ~TransformNode() override; }; } // End namespace Rendering } // End namespace Avogadro #endif // AVOGADRO_RENDERING_TRANSFORMNODE_H avogadrolibs-1.100.0/avogadro/rendering/visitor.cpp000066400000000000000000000006511474375334400223270ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "visitor.h" namespace Avogadro::Rendering { Visitor::Visitor() { } Visitor::~Visitor() { } } // End namespace Avogadro avogadrolibs-1.100.0/avogadro/rendering/visitor.h000066400000000000000000000035551474375334400220020ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_VISITOR_H #define AVOGADRO_RENDERING_VISITOR_H #include "avogadrorenderingexport.h" #include namespace Avogadro { namespace Rendering { class CylinderGeometry; class Drawable; class GeometryNode; class GroupNode; class LineStripGeometry; class MeshGeometry; class Node; class SphereGeometry; class TextLabel2D; class TextLabel3D; class AmbientOcclusionSphereGeometry; class CurveGeometry; /** * @class Visitor visitor.h * @brief The Visitor class is the base class for all Node visitors. * @author Marcus D. Hanwell * * The Visitor class is the base class for visitors to Node objects in the * Scene, providing common API and functionality. */ class AVOGADRORENDERING_EXPORT Visitor { public: Visitor(); virtual ~Visitor(); /** * The overloaded visit functions, the base versions of which do nothing. */ virtual void visit(Node&) { return; } virtual void visit(GroupNode&) { return; } virtual void visit(GeometryNode&) { return; } virtual void visit(Drawable&) { return; } virtual void visit(SphereGeometry&) { return; } virtual void visit(AmbientOcclusionSphereGeometry&) { return; } virtual void visit(CurveGeometry&) { return; } virtual void visit(CylinderGeometry&) { return; } virtual void visit(MeshGeometry&) { return; } virtual void visit(TextLabel2D&) { return; } virtual void visit(TextLabel3D&) { return; } virtual void visit(LineStripGeometry&) { return; } }; } // End namespace Rendering } // End namespace Avogadro #endif // AVOGADRO_RENDERING_VISITOR_H avogadrolibs-1.100.0/avogadro/rendering/volumegeometry.cpp000066400000000000000000000007141474375334400237130ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "volumegeometry.h" namespace Avogadro::Rendering { VolumeGeometry::VolumeGeometry() { } VolumeGeometry::~VolumeGeometry() { } } // End namespace Avogadro avogadrolibs-1.100.0/avogadro/rendering/volumegeometry.h000066400000000000000000000016551474375334400233650ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_VOLUMEGEOMETRY_H #define AVOGADRO_RENDERING_VOLUMEGEOMETRY_H #include "drawable.h" namespace Avogadro { namespace Rendering { /** * @class VolumeGeometry volumegeometry.h * @brief The VolumeGeometry class contains a regularly spaced volumetric data * set. * @author Marcus D. Hanwell * * @todo This is currently a stub and does nothing. */ class AVOGADRORENDERING_EXPORT VolumeGeometry : public Drawable { public: VolumeGeometry(); ~VolumeGeometry() override; }; } // End namespace Rendering } // End namespace Avogadro #endif // AVOGADRO_RENDERING_VOLUMEGEOMETRY_H avogadrolibs-1.100.0/avogadro/rendering/vrmlvisitor.cpp000066400000000000000000000121331474375334400232260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "vrmlvisitor.h" #include "ambientocclusionspheregeometry.h" #include "cylindergeometry.h" #include "linestripgeometry.h" #include "meshgeometry.h" #include "spheregeometry.h" #include #include namespace Avogadro::Rendering { using std::string; using std::ostringstream; using std::ostream; using std::ofstream; namespace { ostream& operator<<(ostream& os, const Vector3f& v) { os << v[0] << " " << v[1] << " " << v[2]; return os; } ostream& operator<<(ostream& os, const Vector3ub& color) { os << color[0] / 255.0f << "\t" << color[1] / 255.0f << "\t" << color[2] / 255.0f; return os; } ostream& operator<<(ostream& os, const Vector4ub& color) { os << color[0] / 255.0f << " " << color[1] / 255.0f << " " << color[2] / 255.0f << color[3] / 255.0f; return os; } } VRMLVisitor::VRMLVisitor(const Camera& c) : m_camera(c), m_backgroundColor(255, 255, 255), m_ambientColor(100, 100, 100), m_aspectRatio(800.0f / 600.0f) { } VRMLVisitor::~VRMLVisitor() { } void VRMLVisitor::begin() { // Initialise the VRML scene Vector3f cameraT = -(m_camera.modelView().linear().adjoint() * m_camera.modelView().translation()); // Output the POV-Ray initialisation code // orientation should be set // http://cgvr.informatik.uni-bremen.de/teaching/vr_literatur/Calculating%20VRML%20Viewpoints.html ostringstream str; str << "#VRML V2.0 utf8\n" << "DEF DefaultView Viewpoint {\n" << "position " << cameraT << " \n" << "fieldOfView 0.785398\n}\n"; m_sceneData = str.str(); } string VRMLVisitor::end() { return m_sceneData; } void VRMLVisitor::visit(Drawable&) { } void VRMLVisitor::visit(SphereGeometry& geometry) { ostringstream str; for (auto s : geometry.spheres()) { str << "Transform {\n" << "\ttranslation\t" << s.center[0] << "\t" << s.center[1] << "\t" << s.center[2] << "\n\tchildren Shape {\n" << "\t\tgeometry Sphere {\n\t\t\tradius\t" << s.radius << "\n\t\t}\n" << "\t\tappearance Appearance {\n" << "\t\t\tmaterial Material {\n" << "\t\t\t\tdiffuseColor\t" << s.color << "\n\t\t\t}\n\t\t}\n\t}\n}\n"; } m_sceneData += str.str(); } void VRMLVisitor::visit(AmbientOcclusionSphereGeometry&) { } void VRMLVisitor::visit(CylinderGeometry& geometry) { ostringstream str; for (auto c : geometry.cylinders()) { // double scale = 1.0; double x1, x2, y1, y2, z1, z2; x1 = c.end1[0]; x2 = c.end2[0]; y1 = c.end1[1]; y2 = c.end2[1]; z1 = c.end1[2]; z2 = c.end2[2]; double dx = x2 - x1; double dy = y2 - y1; double dz = z2 - z1; double length = sqrt(dx * dx + dy * dy + dz * dz); double tx = dx / 2 + x1; double ty = dy / 2 + y1; double tz = dz / 2 + z1; dx = dx / length; dy = dy / length; dz = dz / length; double ax, ay, az, angle; if (dy > 0.999) { ax = 1.0; ay = 0.0; az = 0.0; angle = 0.0; } else if (dy < -0.999) { ax = 1.0; ay = 0.0; az = 0.0; angle = 3.14159265359; } else { ax = dz; ay = 0.0; az = dx * -1.0; angle = acos(dy); } length = length / 2.0; str << "Transform {\n" << "\ttranslation\t" << tx << "\t" << ty << "\t" << tz << "\n\tscale " << " 1 " << length << " 1" << "\n\trotation " << ax << " " << ay << " " << az << " " << angle << "\n\tchildren Shape {\n" << "\t\tgeometry Cylinder {\n\t\t\tradius\t" << c.radius << "\n\t\t}\n" << "\t\tappearance Appearance {\n" << "\t\t\tmaterial Material {\n" << "\t\t\t\tdiffuseColor\t" << c.color << "\n\t\t\t}\n\t\t}\n\t}\n}\n"; } m_sceneData += str.str(); } void VRMLVisitor::visit(MeshGeometry& geometry) { Core::Array v = geometry.vertices(); // If there are no triangles then don't bother doing anything if (v.size() == 0) return; ostringstream str, verts, iverts, colors; // save the points, coordinates, and colors to separate strings for (unsigned int i = 0; i < v.size(); ++i) { if (i == v.size() - 1) { verts << v[i].vertex; colors << v[i].color; break; } verts << v[i].vertex << ",\n"; colors << v[i].color << ", "; } // Now to write out the indices for (unsigned int i = 0; i < v.size(); i += 3) { iverts << i << ", " << i + 1 << ", " << i + 2 << ", -1,\n"; } // Now to write out the full mesh - could be pretty big... str << "Shape {\n" << "\tgeometry IndexedFaceSet {\n" << "\t\tcoord Coordinate {\n" << "\t\t\tpoint [" << verts.str() << "\t\t\t]\n\t\t}\n" << "\t\tcoordIndex[" << iverts.str() << "\t\t\t]\n" << "color Color {\n color [" << colors.str() << "]\n}\n}\n}"; m_sceneData += str.str(); } void VRMLVisitor::visit(LineStripGeometry&) { } } // End namespace Avogadro avogadrolibs-1.100.0/avogadro/rendering/vrmlvisitor.h000066400000000000000000000041351474375334400226760ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_RENDERING_VRMLVISITOR_H #define AVOGADRO_RENDERING_VRMLVISITOR_H #include "visitor.h" #include "avogadrorendering.h" #include "camera.h" #include namespace Avogadro { namespace Rendering { /** * @class VRMLVisitor vrmlvisitor.h * @brief Visitor that visits scene elements and creates a VRML input file. * * This visitor will render elements in the scene to a text file that contains * elements that can be rendered as VRML. */ class AVOGADRORENDERING_EXPORT VRMLVisitor : public Visitor { public: VRMLVisitor(const Camera& camera); ~VRMLVisitor() override; void begin(); std::string end(); /** * The overloaded visit functions, the base versions of which do nothing. */ void visit(Node&) override { return; } void visit(GroupNode&) override { return; } void visit(GeometryNode&) override { return; } void visit(Drawable&) override; void visit(SphereGeometry&) override; void visit(AmbientOcclusionSphereGeometry&) override; void visit(CurveGeometry&) override { return; } void visit(CylinderGeometry&) override; void visit(MeshGeometry&) override; void visit(TextLabel2D&) override { return; } void visit(TextLabel3D&) override { return; } void visit(LineStripGeometry& geometry) override; void setCamera(const Camera& c) { m_camera = c; } Camera camera() const { return m_camera; } void setBackgroundColor(const Vector3ub& c) { m_backgroundColor = c; } void setAmbientColor(const Vector3ub& c) { m_ambientColor = c; } void setAspectRatio(float ratio) { m_aspectRatio = ratio; } private: Camera m_camera; Vector3ub m_backgroundColor; Vector3ub m_ambientColor; float m_aspectRatio; std::string m_sceneData; }; } // End namespace Rendering } // End namespace Avogadro #endif // AVOGADRO_RENDERING_VRMLVISITOR_H avogadrolibs-1.100.0/avogadro/vtk/000077500000000000000000000000001474375334400167515ustar00rootroot00000000000000avogadrolibs-1.100.0/avogadro/vtk/CMakeLists.txt000066400000000000000000000024541474375334400215160ustar00rootroot00000000000000find_package(OpenGL REQUIRED) find_package(GLEW REQUIRED) if(WIN32 AND NOT BUILD_SHARED_LIBS) add_definitions(-DGLEW_STATIC) endif() find_package(Qt${QT_VERSION} COMPONENTS Widgets REQUIRED) find_package(VTK COMPONENTS RenderingOpenGL2 GUISupportQt DomainsChemistry RenderingVolumeOpenGL2 ViewsCore RenderingFreeType ChartsCore ViewsContext2D RenderingContextOpenGL2 REQUIRED) add_library(Vtk) avogadro_headers(Vtk chartdialog.h chartwidget.h qvtkwidget.h vtkAvogadroActor.h vtkglwidget.h ) target_sources(Vtk PRIVATE chartdialog.cpp chartwidget.cpp qvtkwidget.cpp vtkAvogadroActor.cpp vtkglwidget.cpp ) avogadro_add_library(Vtk ${HEADERS} ${SOURCES}) set_target_properties(Vtk PROPERTIES AUTOMOC TRUE) target_link_libraries(Vtk PUBLIC Avogadro::Rendering Avogadro::QtGui VTK::RenderingOpenGL2 VTK::GUISupportQt VTK::RenderingVolumeOpenGL2 VTK::RenderingFreeType VTK::InteractionStyle VTK::ChartsCore VTK::ViewsContext2D VTK::RenderingContextOpenGL2 VTK::DomainsChemistryOpenGL2 Qt::Widgets PRIVATE GLEW::GLEW OpenGL::GL) vtk_module_autoinit(TARGETS Vtk MODULES VTK::RenderingOpenGL2 VTK::GUISupportQt VTK::RenderingVolumeOpenGL2 VTK::RenderingFreeType VTK::InteractionStyle VTK::ChartsCore VTK::ViewsContext2D VTK::RenderingContextOpenGL2 VTK::DomainsChemistryOpenGL2) avogadrolibs-1.100.0/avogadro/vtk/chartdialog.cpp000066400000000000000000000013351474375334400217400ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #include "chartdialog.h" #include "chartwidget.h" #include namespace Avogadro::VTK { ChartDialog::ChartDialog(QWidget* p) : QDialog(p), m_chartWidget(new ChartWidget(this)) { auto* layout = new QVBoxLayout(); layout->addWidget(m_chartWidget); layout->setContentsMargins(0, 0, 0, 0); setLayout(layout); } ChartDialog::~ChartDialog() = default; ChartWidget* ChartDialog::chartWidget() { return m_chartWidget; } QSize ChartDialog::sizeHint() const { return QSize(600, 400); } QSize ChartDialog::minimumSizeHint() const { return QSize(200, 200); } } // namespace Avogadro::VTKavogadrolibs-1.100.0/avogadro/vtk/chartdialog.h000066400000000000000000000010661474375334400214060ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #pragma once #include "avogadrovtkexport.h" #include namespace Avogadro::VTK { class ChartWidget; class AVOGADROVTK_EXPORT ChartDialog : public QDialog { Q_OBJECT public: explicit ChartDialog(QWidget* p = nullptr); ~ChartDialog() override; ChartWidget* chartWidget(); QSize sizeHint() const override; QSize minimumSizeHint() const override; private: ChartWidget* m_chartWidget; }; } // namespace Avogadro::VTK avogadrolibs-1.100.0/avogadro/vtk/chartwidget.cpp000066400000000000000000000153531474375334400217710ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #include "chartwidget.h" #include "qvtkwidget.h" #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::VTK { ChartWidget::ChartWidget(QWidget* p) : QWidget(p), m_qvtk(new QVTKWidget(this)) { m_view->SetRenderWindow(m_qvtk->renderWindow()); m_view->SetInteractor(m_qvtk->interactor()); m_view->GetScene()->AddItem(m_chart); auto hLayout = new QHBoxLayout(this); hLayout->setContentsMargins(0, 0, 0, 0); hLayout->addWidget(m_qvtk); setLayout(hLayout); setMinimumWidth(100); setMinimumHeight(100); } ChartWidget::~ChartWidget() = default; bool ChartWidget::addPlot(const std::vector& x, const std::vector& y, const std::array& color) { // The x and y arrays must be of the same length, otherwise it is not x, y... if (x.size() != y.size()) return false; vtkNew xArr; xArr->SetName("x"); vtkNew yArr; yArr->SetName("y"); m_table->AddColumn(xArr); m_table->AddColumn(yArr); m_table->SetNumberOfRows(x.size()); for (size_t i = 0; i < x.size(); ++i) xArr->SetValue(i, x[i]); for (size_t i = 0; i < y.size(); ++i) yArr->SetValue(i, y[i]); auto* line = m_chart->AddPlot(vtkChart::LINE); line->SetInputData(m_table, 0, 1); line->SetWidth(m_lineWidth); line->SetColor(color[0], color[1], color[2], color[3]); return true; } bool ChartWidget::addSeries(const std::vector& newSeries, const std::array& color) { if (newSeries.empty()) return false; // check to see if the newSeries has the same number of rows // as the existing table if (m_table->GetNumberOfRows() != newSeries.size()) { return false; } // okay, we add a new column vtkNew yArr; // new column name auto numColumns = m_table->GetNumberOfColumns(); yArr->SetName(("y" + std::to_string(numColumns)).c_str()); yArr->SetNumberOfValues(newSeries.size()); m_table->AddColumn(yArr); for (size_t i = 0; i < newSeries.size(); ++i) { yArr->SetValue(i, newSeries[i]); } auto* line = m_chart->AddPlot(vtkChart::LINE); line->SetInputData(m_table, 0, numColumns); line->SetWidth(m_lineWidth); line->SetColor(color[0], color[1], color[2], color[3]); return true; } bool ChartWidget::addPlots(const std::vector>& plotData, const std::array& color) { // Need at least an x and a y. if (plotData.size() < 2) return false; // All arrays must be the same size to go in the same table. auto xSize = plotData[0].size(); for (const auto& d : plotData) if (xSize != d.size()) return false; std::vector vtkArrays; int col = 0; for (const auto& d : plotData) { // The vtkTable will hold a reference, the temp std::vector doesn't need to. AVO_UNUSED(d); vtkNew vtkArray; // Runtime errors without unique names, so construct something. vtkArray->SetName(("c" + std::to_string(col++)).c_str()); m_table->AddColumn(vtkArray); vtkArrays.push_back(vtkArray); } m_table->SetNumberOfRows(xSize); for (size_t i = 0; i < plotData.size(); ++i) { auto& s = plotData[i]; auto* d = vtkArrays[i]; // This is a fast path in VTK for setting array values with a known type. for (size_t j = 0; j < s.size(); ++j) { d->SetValue(j, s[j]); } // Add the plot. auto* line = m_chart->AddPlot(vtkChart::LINE); line->SetInputData(m_table, 0, i); line->SetWidth(m_lineWidth); line->SetColor(color[0], color[1], color[2], color[3]); } return true; } void ChartWidget::clearPlots() { m_chart->ClearPlots(); m_table->RemoveAllColumns(); } void ChartWidget::setXAxisTitle(const std::string& title) { auto* axis = m_chart->GetAxis(vtkAxis::BOTTOM); axis->SetTitle(title); axis->SetTitleVisible(true); axis->GetTitleProperties()->SetBold(true); axis->GetLabelProperties()->SetFontSize(14); } void ChartWidget::setYAxisTitle(const std::string& title) { auto* axis = m_chart->GetAxis(vtkAxis::LEFT); axis->SetTitle(title); axis->SetTitleVisible(true); axis->GetTitleProperties()->SetBold(true); } void ChartWidget::setFontSize(int size) { int titleSize = round(size * 1.25); auto* axis = m_chart->GetAxis(vtkAxis::BOTTOM); axis->GetLabelProperties()->SetFontSize(size); axis->GetTitleProperties()->SetFontSize(titleSize); axis = m_chart->GetAxis(vtkAxis::LEFT); axis->GetLabelProperties()->SetFontSize(size); axis->GetTitleProperties()->SetFontSize(titleSize); } void ChartWidget::setLineWidth(float width) { m_lineWidth = width; for (int i = 0; i < m_chart->GetNumberOfPlots(); ++i) { auto* plot = m_chart->GetPlot(i); plot->SetWidth(width); } } void ChartWidget::setTickLabels(Axis a, const std::vector& tickPositions, const std::vector& tickLabels) { auto customAxis = axis(a); // We need a valid axis and equal sizes vectors of points/labels. if (!customAxis) return; if (tickPositions.size() != tickLabels.size()) return; vtkNew doubleArray; doubleArray->SetName("Tick Positions"); for (const auto& pos : tickPositions) doubleArray->InsertNextValue(pos); vtkNew stringArray; stringArray->SetName("Tick Labels"); for (const auto& label : tickLabels) stringArray->InsertNextValue(label); customAxis->SetCustomTickPositions(doubleArray, stringArray); } void ChartWidget::setAxisLimits(Axis a, float min, float max) { auto customAxis = axis(a); // We need a valid axis and equal sizes vectors of points/labels. if (!customAxis) return; customAxis->SetRange(min, max); customAxis->SetBehavior(vtkAxis::FIXED); } void ChartWidget::setXAxisLimits(float min, float max) { setAxisLimits(Axis::x, min, max); } void ChartWidget::setYAxisLimits(float min, float max) { setAxisLimits(Axis::y, min, max); } void ChartWidget::setAxisLogScale(Axis a, bool logScale) { auto customAxis = axis(a); // We need a valid axis and equal sizes vectors of points/labels. if (!customAxis) return; customAxis->SetLogScale(logScale); } vtkAxis* ChartWidget::axis(Axis a) { if (a == Axis::x) return m_chart->GetAxis(vtkAxis::BOTTOM); else if (a == Axis::y) return m_chart->GetAxis(vtkAxis::LEFT); return nullptr; } } // namespace Avogadro::VTK avogadrolibs-1.100.0/avogadro/vtk/chartwidget.h000066400000000000000000000033211474375334400214260ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #pragma once #include "avogadrovtkexport.h" #include #include #include #include class vtkAxis; class vtkChartXY; class vtkContextView; class vtkTable; namespace Avogadro::VTK { typedef std::array color4ub; class QVTKWidget; class AVOGADROVTK_EXPORT ChartWidget : public QWidget { Q_OBJECT public: explicit ChartWidget(QWidget* p = nullptr); ~ChartWidget() override; enum class Axis { x, y }; bool addPlot(const std::vector& x, const std::vector& y, const color4ub& color = color4ub{ 0, 0, 0, 255 }); bool addSeries(const std::vector& y, const color4ub& color = color4ub{ 0, 0, 0, 255 }); bool addPlots(const std::vector>& plotData, const color4ub& color = color4ub{ 0, 0, 0, 255 }); void clearPlots(); void setXAxisTitle(const std::string& title); void setYAxisTitle(const std::string& title); void setTickLabels(Axis a, const std::vector& tickPositions, const std::vector& tickLabels); void setAxisLimits(Axis a, float min, float max); void setXAxisLimits(float min, float max); void setYAxisLimits(float min, float max); void setFontSize(int size = 14); void setLineWidth(float width = 1.0); void setAxisLogScale(Axis a, bool logScale); private: void renderViews(); float m_lineWidth = 1.0; vtkAxis* axis(Axis a); vtkNew m_view; vtkNew m_chart; vtkNew m_table; QVTKWidget* m_qvtk; }; } // namespace Avogadro::VTK avogadrolibs-1.100.0/avogadro/vtk/qvtkwidget.cpp000066400000000000000000000012761474375334400216540ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #include "qvtkwidget.h" #include #include #include #include namespace Avogadro::VTK { QVTKWidget::QVTKWidget(QWidget* parent, Qt::WindowFlags f) : QVTKOpenGLStereoWidget(parent, f) { // Set some defaults for our render window. vtkNew window; setRenderWindow(window); auto glFormat = QVTKOpenGLStereoWidget::defaultFormat(); glFormat.setSamples(8); setFormat(glFormat); } QVTKWidget::~QVTKWidget() = default; } // namespace Avogadro::VTK avogadrolibs-1.100.0/avogadro/vtk/qvtkwidget.h000066400000000000000000000010271474375334400213130ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #pragma once #include "avogadrovtkexport.h" #include #include namespace Avogadro::VTK { class AVOGADROVTK_EXPORT QVTKWidget : public QVTKOpenGLStereoWidget { Q_OBJECT public: explicit QVTKWidget(QWidget* parent = nullptr, Qt::WindowFlags f = Qt::WindowFlags()); ~QVTKWidget() override; }; } // namespace Avogadro::VTK avogadrolibs-1.100.0/avogadro/vtk/vtkAvogadroActor.cpp000066400000000000000000000061421474375334400227400ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "vtkAvogadroActor.h" #include #include #include #include #include #include #include #include using Eigen::Affine3f; using Avogadro::Vector3f; using Avogadro::Rendering::Camera; using Avogadro::Rendering::GLRenderVisitor; vtkStandardNewMacro(vtkAvogadroActor) vtkAvogadroActor::vtkAvogadroActor() : m_scene(nullptr), m_initialized(false) { for (double & m_bound : m_bounds) m_bound = 0.0; } vtkAvogadroActor::~vtkAvogadroActor() { } int vtkAvogadroActor::RenderOpaqueGeometry(vtkViewport *) { if (!m_initialized) { GLenum result = glewInit(); if (result != GLEW_OK && result != GLEW_ERROR_NO_GLX_DISPLAY) { cout << "Error, could not initialize GLEW." << endl; return 0; } if (!GLEW_VERSION_2_1) { cout << "GL version 2.1 is not supported by your GPU." << endl; return 0; } m_initialized = true; } if (!m_scene) return 0; // Figure out the current model view and projection matrices for our camera. Camera camera; Affine3f mv, proj; glGetFloatv(GL_MODELVIEW_MATRIX, mv.matrix().data()); glGetFloatv(GL_PROJECTION_MATRIX, proj.matrix().data()); camera.setModelView(mv); camera.setProjection(proj); // Render the Avogadro scene using the GLRenderVisitor and return. GLRenderVisitor visitor(camera); visitor.setRenderPass(Avogadro::Rendering::OpaquePass); m_scene->rootNode().accept(visitor); return 1; } int vtkAvogadroActor::RenderTranslucentPolygonalGeometry(vtkViewport *) { // Figure out the current model view and projection matrices for our camera. Camera camera; Affine3f mv, proj; glGetFloatv(GL_MODELVIEW_MATRIX, mv.matrix().data()); glGetFloatv(GL_PROJECTION_MATRIX, proj.matrix().data()); camera.setModelView(mv); camera.setProjection(proj); // Render the Avogadro scene using the GLRenderVisitor and return. GLRenderVisitor visitor(camera); visitor.setRenderPass(Avogadro::Rendering::TranslucentPass); m_scene->rootNode().accept(visitor); return 1; } int vtkAvogadroActor::HasTranslucentPolygonalGeometry() { return 1; } double * vtkAvogadroActor::GetBounds() { if (!m_scene) return m_bounds; Vector3f center = m_scene->center(); float radius = m_scene->radius(); m_bounds[0] = center[0] - radius; m_bounds[1] = center[0] + radius; m_bounds[2] = center[1] - radius; m_bounds[3] = center[1] + radius; m_bounds[4] = center[2] - radius; m_bounds[5] = center[2] + radius; return m_bounds; } void vtkAvogadroActor::setScene(Avogadro::Rendering::Scene *scene) { m_scene = scene; } void vtkAvogadroActor::PrintSelf(ostream &os, vtkIndent indent) { Superclass::PrintSelf(os, indent); } avogadrolibs-1.100.0/avogadro/vtk/vtkAvogadroActor.h000066400000000000000000000041441474375334400224050ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #ifndef AVOGADRO_VTKAVOGADROACTOR_H #define AVOGADRO_VTKAVOGADROACTOR_H #include "avogadrovtkexport.h" #include namespace Avogadro { namespace Rendering { class Scene; } } /** * @class vtkAvogadroActor vtkAvogadroActor.h * @brief Wrap an Avogadro::Rendering::Scene in a vtkActor derived container so * that it can be rendered in a standard VTK widget. * @author Marcus D. Hanwell */ class AVOGADROVTK_EXPORT vtkAvogadroActor : public vtkActor { public: /** Return a new instance of the vtkAvogadroActor. */ static vtkAvogadroActor* New(); /** Required type macro. */ vtkTypeMacro(vtkAvogadroActor, vtkActor) /** Print the state of the object. */ void PrintSelf(ostream& os, vtkIndent indent) override; /** Render the opaque geometry. */ int RenderOpaqueGeometry(vtkViewport* viewport) override; /** Render the translucent geometry. */ int RenderTranslucentPolygonalGeometry(vtkViewport* viewport) override; /** Does the actor have translucent geometry? */ int HasTranslucentPolygonalGeometry() override; /** * Get the bounds for this Actor as (Xmin,Xmax,Ymin,Ymax,Zmin,Zmax). (The * method GetBounds(double bounds[6]) is available from the superclass.) */ double* GetBounds() override; /** Set the scene on the actor, the actor assumes ownership of the scene. */ void setScene(Avogadro::Rendering::Scene* scene); /** Get the scene being rendered by the actor. */ Avogadro::Rendering::Scene* GetScene() { return m_scene; } protected: vtkAvogadroActor(); ~vtkAvogadroActor(); Avogadro::Rendering::Scene* m_scene; double m_bounds[6]; bool m_initialized; private: vtkAvogadroActor(const vtkAvogadroActor&); // Not implemented. void operator=(const vtkAvogadroActor&); // Not implemented. }; #endif // AVOGADRO_VTKAVOGADROACTOR_H avogadrolibs-1.100.0/avogadro/vtk/vtkglwidget.cpp000066400000000000000000000215141474375334400220130ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #include "vtkglwidget.h" #include #include #include #include #include #include "vtkAvogadroActor.h" #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include #include namespace Avogadro::VTK { using QtGui::Molecule; // The caller assumes ownership of the vtkImageData returned. vtkImageData* createCubeImageData(Core::Cube* cube) { auto data = vtkImageData::New(); // data->SetNumberOfScalarComponents(1, nullptr); Eigen::Vector3i dim = cube->dimensions(); data->SetExtent(0, dim.x() - 1, 0, dim.y() - 1, 0, dim.z() - 1); data->SetOrigin(cube->min().x(), cube->min().y(), cube->min().z()); data->SetSpacing(cube->spacing().data()); data->AllocateScalars(VTK_FLOAT, 1); auto* dataPtr = static_cast(data->GetScalarPointer()); std::vector* cubePtr = cube->data(); for (int i = 0; i < dim.x(); ++i) { for (int j = 0; j < dim.y(); ++j) { for (int k = 0; k < dim.z(); ++k) { dataPtr[(k * dim.y() + j) * dim.x() + i] = (*cubePtr)[(i * dim.y() + j) * dim.z() + k]; } } } return data; } void vtkGLWidget::cubeVolume(Core::Cube* cube) { m_imageData = createCubeImageData(cube); // Call delete to decrement the reference count now it is in a smart pointer. m_imageData->Delete(); vtkNew volumeMapper; vtkNew volumeProperty; volumeMapper->SetBlendModeToComposite(); volumeMapper->SetInputData(m_imageData); // volumeMapper->SetInputConnection(t->GetOutputPort()); volumeProperty->ShadeOff(); volumeProperty->SetInterpolationTypeToLinear(); auto compositeOpacity = m_opacityFunction.Get(); auto color = m_lut.Get(); if (color->GetSize() == 0) { // Initialize the color and opacity function. double range[2]; m_imageData->GetScalarRange(range); if (range[0] < 0.0) { // Likely a molecular orbital, let's make something symmetric. auto magnitude = std::max(std::fabs(range[0]), std::fabs(range[1])); color->AddRGBPoint(-magnitude, 1.0, 0.0, 0.0); color->AddRGBPoint(-0.01 * magnitude, 1.0, 0.0, 0.0); color->AddRGBPoint(0.01 * magnitude, 0.0, 0.0, 1.0); color->AddRGBPoint(magnitude, 0.0, 0.0, 1.0); compositeOpacity->AddPoint(-magnitude, 1.0); compositeOpacity->AddPoint(-0.2 * magnitude, 0.8); compositeOpacity->AddPoint(0, 0.0); compositeOpacity->AddPoint(0.2 * magnitude, 0.8); compositeOpacity->AddPoint(magnitude, 1.0); } } volumeProperty->SetScalarOpacity(compositeOpacity); // composite first. volumeProperty->SetColor(color); m_volume->SetMapper(volumeMapper); m_volume->SetProperty(volumeProperty); } vtkGLWidget::vtkGLWidget(QWidget* p, Qt::WindowFlags f) : QVTKWidget(p, f), m_activeTool(nullptr), m_defaultTool(nullptr) { setFocusPolicy(Qt::ClickFocus); connect(&m_scenePlugins, SIGNAL(pluginStateChanged(Avogadro::QtGui::ScenePlugin*)), SLOT(updateScene())); // Set up our renderer, window, scene, etc. vtkNew renderWin; setRenderWindow(renderWin); renderWindow()->AddRenderer(m_vtkRenderer); setFormat(QVTKOpenGLStereoWidget::defaultFormat()); vtkNew interact; interactor()->SetInteractorStyle(interact); interactor()->Initialize(); m_vtkRenderer->SetBackground(1.0, 1.0, 1.0); m_moleculeMapper->UseBallAndStickSettings(); m_actor->SetMapper(m_moleculeMapper); m_actor->GetProperty()->SetAmbient(0.0); m_actor->GetProperty()->SetDiffuse(1.0); m_actor->GetProperty()->SetSpecular(0.0); m_actor->GetProperty()->SetSpecularPower(40); m_vtkRenderer->AddActor(m_actor); m_vtkRenderer->AddViewProp(m_volume); // Set up the flying edges contour pipeline. m_contourMapper->SetInputConnection(m_flyingEdges->GetOutputPort()); m_contourActor->GetProperty()->SetOpacity(0.5); m_contourActor->SetMapper(m_contourMapper); m_vtkRenderer->AddActor(m_contourActor); m_contourActor->SetVisibility(0); } vtkGLWidget::~vtkGLWidget() {} void vtkGLWidget::setMolecule(QtGui::Molecule* mol) { clearScene(); if (m_molecule) disconnect(m_molecule, nullptr, nullptr, nullptr); m_molecule = mol; foreach (QtGui::ToolPlugin* tool, m_tools) tool->setMolecule(m_molecule); connect(m_molecule, SIGNAL(changed(unsigned int)), SLOT(updateScene())); connect(m_molecule, SIGNAL(changed(unsigned int)), SLOT(moleculeChanged(unsigned int))); updateCube(); // Reset the camera, re-render. m_vtkRenderer->ResetCamera(); renderWindow()->Render(); } void vtkGLWidget::updateCube() { auto mol = m_molecule; if (mol->cubeCount() > 0) { // Convert the cube to a vtkImageData for volume rendering/contouring. cubeVolume(mol->cube(0)); // Set up a connection for the contour filter too. m_flyingEdges->SetInputData(m_imageData); m_flyingEdges->GenerateValues(2, -0.05, 0.05); m_flyingEdges->ComputeNormalsOn(); m_flyingEdges->ComputeScalarsOn(); m_flyingEdges->SetArrayComponent(0); m_contourMapper->SetLookupTable(m_lut); m_contourMapper->SetScalarRange(m_imageData->GetScalarRange()); emit imageDataUpdated(); } } void vtkGLWidget::moleculeChanged(unsigned int c) { Q_ASSERT(m_molecule == qobject_cast(sender())); // I think we need to look at adding cubes to changes, flaky right now. auto changes = static_cast(c); if (changes & Molecule::Added || changes & Molecule::Removed) { updateCube(); renderWindow()->Render(); } } QtGui::Molecule* vtkGLWidget::molecule() { return m_molecule; } const QtGui::Molecule* vtkGLWidget::molecule() const { return m_molecule; } vtkColorTransferFunction* vtkGLWidget::lut() const { return m_lut; } vtkPiecewiseFunction* vtkGLWidget::opacityFunction() const { return m_opacityFunction; } vtkImageData* vtkGLWidget::imageData() const { return m_imageData; } void vtkGLWidget::renderVolume(bool enable) { m_volume->SetVisibility(enable ? 1 : 0); } void vtkGLWidget::renderIsosurface(bool enable) { m_contourActor->SetVisibility(enable ? 1 : 0); } void vtkGLWidget::setIsoValue(double value) { m_flyingEdges->SetNumberOfContours(2); m_flyingEdges->SetValue(0, -value); m_flyingEdges->SetValue(1, value); } void vtkGLWidget::setOpacity(double value) { m_contourActor->GetProperty()->SetOpacity(value); } void vtkGLWidget::updateScene() { if (m_molecule) { if (m_vtkMolecule) m_vtkMolecule->Delete(); m_vtkMolecule = vtkMolecule::New(); for (Index i = 0; i < m_molecule->atomCount(); ++i) { auto a = m_molecule->atom(i); m_vtkMolecule->AppendAtom(a.atomicNumber(), a.position3d().x(), a.position3d().y(), a.position3d().z()); } for (Index i = 0; i < m_molecule->bondCount(); ++i) { auto b = m_molecule->bond(i); m_vtkMolecule->AppendBond(b.atom1().index(), b.atom2().index(), b.order()); } m_moleculeMapper->SetInputData(m_vtkMolecule); return; } // Build up the scene with the scene plugins, creating the appropriate nodes. QtGui::Molecule* mol = m_molecule; if (!mol) mol = new QtGui::Molecule(this); if (mol) { Rendering::GroupNode& node = m_renderer.scene().rootNode(); node.clear(); auto* moleculeNode = new Rendering::GroupNode(&node); foreach (QtGui::ScenePlugin* scenePlugin, m_scenePlugins.activeScenePlugins()) { auto* engineNode = new Rendering::GroupNode(moleculeNode); scenePlugin->process(*mol, *engineNode); } // Let the tools perform any drawing they need to do. if (m_activeTool) { auto* toolNode = new Rendering::GroupNode(moleculeNode); m_activeTool->draw(*toolNode); } if (m_defaultTool) { auto* toolNode = new Rendering::GroupNode(moleculeNode); m_defaultTool->draw(*toolNode); } m_renderer.resetGeometry(); update(); } if (mol != m_molecule) delete mol; } void vtkGLWidget::clearScene() { m_renderer.scene().clear(); } void vtkGLWidget::resetCamera() { m_renderer.resetCamera(); update(); } void vtkGLWidget::resetGeometry() { m_renderer.resetGeometry(); } } // namespace Avogadro::VTK avogadrolibs-1.100.0/avogadro/vtk/vtkglwidget.h000066400000000000000000000074721474375334400214670ustar00rootroot00000000000000/* This source file is part of the Avogadro project. It is released under the 3-Clause BSD License, see "LICENSE". */ #pragma once #include "avogadrovtkexport.h" #include "qvtkwidget.h" #include #include #include #include class vtkActor; class vtkColorTransferFunction; class vtkFlyingEdges3D; class vtkMolecule; class vtkMoleculeMapper; class vtkPiecewiseFunction; class vtkPolyDataMapper; class vtkRenderer; class vtkVolume; class vtkImageData; namespace Avogadro { namespace Core { class Cube; } namespace QtGui { class Molecule; class ToolPlugin; } // namespace QtGui namespace VTK { class AVOGADROVTK_EXPORT vtkGLWidget : public QVTKWidget { Q_OBJECT public: vtkGLWidget(QWidget* p = nullptr, Qt::WindowFlags f = Qt::WindowFlags()); ~vtkGLWidget(); /** Set the molecule the widget will render. */ void setMolecule(QtGui::Molecule* molecule); /** * Get the molecule being rendered by the widget. * @{ */ QtGui::Molecule* molecule(); const QtGui::Molecule* molecule() const; /** @}*/ /** Get a reference to the renderer for the widget. */ Rendering::GLRenderer& renderer() { return m_renderer; } /** * Get the GLWidget's ScenePluginModel, used to add, delete and modify the * scene plugin items. * @{ */ QtGui::ScenePluginModel& sceneModel() { return m_scenePlugins; } const QtGui::ScenePluginModel& sceneModel() const { return m_scenePlugins; } /** @}*/ /** * Get the color loop up table for the volume renderer. */ vtkColorTransferFunction* lut() const; /** * Get the opacity function for the volume renderer. */ vtkPiecewiseFunction* opacityFunction() const; /** * Get the vtkImageData that is being rendered. */ vtkImageData* imageData() const; /** * Set the cube to render. */ void setCube(Core::Cube* cube); /** * Get the cube being rendered, this is the input for the imageData. */ Core::Cube* cube(); /** * Display the volume rendering. */ void renderVolume(bool enable); /** * Display an isosurface. */ void renderIsosurface(bool enable); /** * Set the isovalue for the isosurface. */ void setIsoValue(double value); /** * Set the isovalue for the isosurface. */ void setOpacity(double value); signals: /** * Emitted if the image data is updated so that histograms etc can update. */ void imageDataUpdated(); public slots: /** * Update the scene plugins for the widget, this will generate geometry in * the scene etc. */ void updateScene(); /** * Clear the contents of the scene. */ void clearScene(); /** Reset the view to fit the entire scene. */ void resetCamera(); /** Reset the geometry when the molecule etc changes. */ void resetGeometry(); /** Volume render the supplied cube. */ void cubeVolume(Core::Cube* cube); private slots: void moleculeChanged(unsigned int c); void updateCube(); private: QPointer m_molecule; QList m_tools; QtGui::ToolPlugin* m_activeTool; QtGui::ToolPlugin* m_defaultTool; Rendering::GLRenderer m_renderer; QtGui::ScenePluginModel m_scenePlugins; // vtkNew m_context; vtkNew m_vtkRenderer; // The volume rendering pieces. vtkNew m_lut; vtkNew m_opacityFunction; vtkSmartPointer m_imageData; vtkNew m_volume; // The contour pieces. vtkNew m_contourActor; vtkNew m_contourMapper; vtkNew m_flyingEdges; // The molecule actor, data structure, mapper. vtkNew m_actor; vtkSmartPointer m_vtkMolecule; vtkNew m_moleculeMapper; }; } // namespace VTK } // namespace Avogadro avogadrolibs-1.100.0/cmake/000077500000000000000000000000001474375334400154235ustar00rootroot00000000000000avogadrolibs-1.100.0/cmake/AvogadroLibsConfig.cmake.in000066400000000000000000000025031474375334400225340ustar00rootroot00000000000000# AvogadroLibs CMake configuration file - http://www.openchemistry.org/ # If this file was found, then OpenQube has been found set(AvogadroLibs_FOUND 1) set(AvogadroLibs_VERSION_MAJOR "@AvogadroLibs_VERSION_MAJOR@") set(AvogadroLibs_VERSION_MINOR "@AvogadroLibs_VERSION_MINOR@") set(AvogadroLibs_VERSION_PATCH "@AvogadroLibs_VERSION_PATCH@") set(AvogadroLibs_VERSION "${AvogadroLibs_VERSION_MAJOR}.${AvogadroLibs_VERSION_MINOR}.${AvogadroLibs_VERSION_PATCH}") set(AvogadroLibs_INSTALL_PREFIX "@CMAKE_INSTALL_PREFIX@") set(AvogadroLibs_INCLUDE_DIRS "${AvogadroLibs_INSTALL_PREFIX}/@INSTALL_INCLUDE_DIR@") set(AvogadroLibs_LIBRARY_DIR "${AvogadroLibs_INSTALL_PREFIX}/@INSTALL_LIBRARY_DIR@") set(AvogadroLibs_RUNTIME_DIR "${AvogadroLibs_INSTALL_PREFIX}/@INSTALL_RUNTIME_DIR@") set(AvogadroLibs_DATA_DIR "${AvogadroLibs_INSTALL_PREFIX}/@INSTALL_DATA_DIR@") set(AvogadroLibs_CMAKE_DIR "${AvogadroLibs_LIBRARY_DIR}/cmake/avogadrolibs") # List of target names that are plugins: set(AvogadroLibs_PLUGINS "@AvogadroLibs_PLUGINS@") set(AvogadroLibs_STATIC_PLUGINS "@AvogadroLibs_STATIC_PLUGINS@") include(CMakeFindDependencyMacro) if (@QT_VERSION@ EQUAL 6) find_dependency(Qt6OpenGLWidgets) endif() if(NOT TARGET AvogadroCore) include("${AvogadroLibs_CMAKE_DIR}/AvogadroLibsTargets.cmake") endif() avogadrolibs-1.100.0/cmake/AvogadroLibsConfigVersion.cmake.in000066400000000000000000000011471474375334400241050ustar00rootroot00000000000000# AvogadroLibs CMake version file - http://www.openchemistry.org/ set(PACKAGE_VERSION @AvogadroLibs_VERSION_MAJOR@.@AvogadroLibs_VERSION_MINOR@.@AvogadroLibs_VERSION_PATCH@) if("${PACKAGE_VERSION}" VERSION_LESS "${PACKAGE_FIND_VERSION}") set(PACKAGE_VERSION_COMPATIBLE FALSE) else("${PACKAGE_VERSION}" VERSION_LESS "${PACKAGE_FIND_VERSION}") set(PACKAGE_VERSION_COMPATIBLE TRUE) if("${PACKAGE_FIND_VERSION}" STREQUAL "${PACKAGE_VERSION}") set(PACKAGE_VERSION_EXACT TRUE) endif("${PACKAGE_FIND_VERSION}" STREQUAL "${PACKAGE_VERSION}") endif("${PACKAGE_VERSION}" VERSION_LESS "${PACKAGE_FIND_VERSION}") avogadrolibs-1.100.0/cmake/BuildLocation.cmake000066400000000000000000000006031474375334400211540ustar00rootroot00000000000000# Set up our directory structure for output libraries and binaries if(NOT CMAKE_RUNTIME_OUTPUT_DIRECTORY) set(CMAKE_RUNTIME_OUTPUT_DIRECTORY "${CMAKE_BINARY_DIR}/bin") endif() if(NOT CMAKE_LIBRARY_OUTPUT_DIRECTORY) if(UNIX) set(CMAKE_LIBRARY_OUTPUT_DIRECTORY "${CMAKE_BINARY_DIR}/lib") else() set(CMAKE_LIBRARY_OUTPUT_DIRECTORY "${CMAKE_BINARY_DIR}/bin") endif() endif() avogadrolibs-1.100.0/cmake/BuildType.cmake000066400000000000000000000011161474375334400203250ustar00rootroot00000000000000# Set a default build type if none was specified set(_build_type "Release") if(EXISTS "${CMAKE_SOURCE_DIR}/.git") set(_build_type "Debug") endif() if(NOT CMAKE_BUILD_TYPE AND NOT CMAKE_CONFIGURATION_TYPES) message(STATUS "Setting build type to '${_build_type}' as none was specified.") set(CMAKE_BUILD_TYPE ${_build_type} CACHE STRING "Choose the type of build." FORCE) # Set the possible values of build type for cmake-gui set_property(CACHE CMAKE_BUILD_TYPE PROPERTY STRINGS "Debug" "Release" "MinSizeRel" "RelWithDebInfo" "ASAN" "TSAN" "MSAN" "LSAN" "UBSAN") endif() avogadrolibs-1.100.0/cmake/CTestCustom.cmake.in000066400000000000000000000007351474375334400212540ustar00rootroot00000000000000set(CTEST_CUSTOM_COVERAGE_EXCLUDE ${CTEST_CUSTOM_COVERAGE_EXCLUDE} "tests.*.cpp" # Exclude all third party code. ".*/thirdparty/.*" # Exclude MOC files (Qt). "moc_" ) set(CTEST_CUSTOM_WARNING_EXCEPTION ${CTEST_CUSTOM_WARNING_EXCEPTION} # Exclude all third party code. ".*/thirdparty/.*" # Qt5Json snapshot ".*/qt5json/.*" # Nested Qt foreach loops produce this warning: "_container_.* shadows a previous local" "shadowed declaration is here" ) avogadrolibs-1.100.0/cmake/CheckCXXSymbolExists.cmake000066400000000000000000000037301474375334400224160ustar00rootroot00000000000000# - Check if a symbol exists as a function, variable, or macro in C++ # CHECK_CXX_SYMBOL_EXISTS( ) # # Check that the is available after including given header # and store the result in a . Specify the list # of files in one argument as a semicolon-separated list. # CHECK_CXX_SYMBOL_EXISTS() can be used to check in C++ files, as opposed # to CHECK_SYMBOL_EXISTS(), which works only for C. # # If the header files define the symbol as a macro it is considered # available and assumed to work. If the header files declare the # symbol as a function or variable then the symbol must also be # available for linking. If the symbol is a type or enum value # it will not be recognized (consider using CheckTypeSize or # CheckCSourceCompiles). # # The following variables may be set before calling this macro to # modify the way the check is run: # # CMAKE_REQUIRED_FLAGS = string of compile command line flags # CMAKE_REQUIRED_DEFINITIONS = list of macros to define (-DFOO=bar) # CMAKE_REQUIRED_INCLUDES = list of include directories # CMAKE_REQUIRED_LIBRARIES = list of libraries to link #============================================================================= # Copyright 2003-2011 Kitware, Inc. # # Distributed under the OSI-approved BSD License (the "License"); # see accompanying file Copyright.txt for details. # # This software is distributed WITHOUT ANY WARRANTY; without even the # implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. # See the License for more information. #============================================================================= # (To distribute this file outside of CMake, substitute the full # License text for the above reference.) INCLUDE(CheckSymbolExists) MACRO(CHECK_CXX_SYMBOL_EXISTS SYMBOL FILES VARIABLE) _CHECK_SYMBOL_EXISTS("${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/CMakeTmp/CheckSymbolExists.cxx" "${SYMBOL}" "${FILES}" "${VARIABLE}" ) ENDMACRO(CHECK_CXX_SYMBOL_EXISTS) avogadrolibs-1.100.0/cmake/CheckSymbolExists.cmake000066400000000000000000000105521474375334400220330ustar00rootroot00000000000000# - Check if a symbol exists as a function, variable, or macro # CHECK_SYMBOL_EXISTS( ) # # Check that the is available after including given header # and store the result in a . Specify the list # of files in one argument as a semicolon-separated list. # # If the header files define the symbol as a macro it is considered # available and assumed to work. If the header files declare the # symbol as a function or variable then the symbol must also be # available for linking. If the symbol is a type or enum value # it will not be recognized (consider using CheckTypeSize or # CheckCSourceCompiles). # If the check needs to be done in C++, consider using CHECK_CXX_SYMBOL_EXISTS(), # which does the same as CHECK_SYMBOL_EXISTS(), but in C++. # # The following variables may be set before calling this macro to # modify the way the check is run: # # CMAKE_REQUIRED_FLAGS = string of compile command line flags # CMAKE_REQUIRED_DEFINITIONS = list of macros to define (-DFOO=bar) # CMAKE_REQUIRED_INCLUDES = list of include directories # CMAKE_REQUIRED_LIBRARIES = list of libraries to link #============================================================================= # Copyright 2003-2011 Kitware, Inc. # # Distributed under the OSI-approved BSD License (the "License"); # see accompanying file Copyright.txt for details. # # This software is distributed WITHOUT ANY WARRANTY; without even the # implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. # See the License for more information. #============================================================================= # (To distribute this file outside of CMake, substitute the full # License text for the above reference.) MACRO(CHECK_SYMBOL_EXISTS SYMBOL FILES VARIABLE) _CHECK_SYMBOL_EXISTS("${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/CMakeTmp/CheckSymbolExists.c" "${SYMBOL}" "${FILES}" "${VARIABLE}" ) ENDMACRO(CHECK_SYMBOL_EXISTS) MACRO(_CHECK_SYMBOL_EXISTS SOURCEFILE SYMBOL FILES VARIABLE) IF("${VARIABLE}" MATCHES "^${VARIABLE}$") SET(CMAKE_CONFIGURABLE_FILE_CONTENT "/* */\n") SET(MACRO_CHECK_SYMBOL_EXISTS_FLAGS ${CMAKE_REQUIRED_FLAGS}) IF(CMAKE_REQUIRED_LIBRARIES) SET(CHECK_SYMBOL_EXISTS_LIBS "-DLINK_LIBRARIES:STRING=${CMAKE_REQUIRED_LIBRARIES}") ELSE(CMAKE_REQUIRED_LIBRARIES) SET(CHECK_SYMBOL_EXISTS_LIBS) ENDIF(CMAKE_REQUIRED_LIBRARIES) IF(CMAKE_REQUIRED_INCLUDES) SET(CMAKE_SYMBOL_EXISTS_INCLUDES "-DINCLUDE_DIRECTORIES:STRING=${CMAKE_REQUIRED_INCLUDES}") ELSE(CMAKE_REQUIRED_INCLUDES) SET(CMAKE_SYMBOL_EXISTS_INCLUDES) ENDIF(CMAKE_REQUIRED_INCLUDES) FOREACH(FILE ${FILES}) SET(CMAKE_CONFIGURABLE_FILE_CONTENT "${CMAKE_CONFIGURABLE_FILE_CONTENT}#include <${FILE}>\n") ENDFOREACH(FILE) SET(CMAKE_CONFIGURABLE_FILE_CONTENT "${CMAKE_CONFIGURABLE_FILE_CONTENT}\nvoid cmakeRequireSymbol(int dummy,...){(void)dummy;}\nint main()\n{\n#ifndef ${SYMBOL}\n cmakeRequireSymbol(0,&${SYMBOL});\n#endif\n return 0;\n}\n") CONFIGURE_FILE("${CMAKE_ROOT}/Modules/CMakeConfigurableFile.in" "${SOURCEFILE}" @ONLY IMMEDIATE) MESSAGE(STATUS "Looking for ${SYMBOL}") TRY_COMPILE(${VARIABLE} ${CMAKE_BINARY_DIR} "${SOURCEFILE}" COMPILE_DEFINITIONS ${CMAKE_REQUIRED_DEFINITIONS} CMAKE_FLAGS -DCOMPILE_DEFINITIONS:STRING=${MACRO_CHECK_SYMBOL_EXISTS_FLAGS} "${CHECK_SYMBOL_EXISTS_LIBS}" "${CMAKE_SYMBOL_EXISTS_INCLUDES}" OUTPUT_VARIABLE OUTPUT) IF(${VARIABLE}) MESSAGE(STATUS "Looking for ${SYMBOL} - found") SET(${VARIABLE} 1 CACHE INTERNAL "Have symbol ${SYMBOL}") FILE(APPEND ${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/CMakeOutput.log "Determining if the ${SYMBOL} " "exist passed with the following output:\n" "${OUTPUT}\nFile ${SOURCEFILE}:\n" "${CMAKE_CONFIGURABLE_FILE_CONTENT}\n") ELSE(${VARIABLE}) MESSAGE(STATUS "Looking for ${SYMBOL} - not found.") SET(${VARIABLE} "" CACHE INTERNAL "Have symbol ${SYMBOL}") FILE(APPEND ${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/CMakeError.log "Determining if the ${SYMBOL} " "exist failed with the following output:\n" "${OUTPUT}\nFile ${SOURCEFILE}:\n" "${CMAKE_CONFIGURABLE_FILE_CONTENT}\n") ENDIF(${VARIABLE}) ENDIF("${VARIABLE}" MATCHES "^${VARIABLE}$") ENDMACRO(_CHECK_SYMBOL_EXISTS) avogadrolibs-1.100.0/cmake/CompilerFlags.cmake000066400000000000000000000036241474375334400211610ustar00rootroot00000000000000if(CMAKE_COMPILER_IS_GNUCXX) include(CheckCXXCompilerFlag) # Additional warnings for GCC set(CMAKE_CXX_FLAGS_WARN "-Wnon-virtual-dtor -Wno-long-long -Wcast-align -Wchar-subscripts -Wall -Wpointer-arith -Wformat-security -Woverloaded-virtual -fno-check-new -fno-common") # This flag is useful as not returning from a non-void function is an error # with MSVC, but it is not supported on all GCC compiler versions check_cxx_compiler_flag("-Werror=return-type" HAVE_GCC_ERROR_RETURN_TYPE) if(HAVE_GCC_ERROR_RETURN_TYPE) set(CMAKE_CXX_FLAGS_ERROR "-Werror=return-type") endif() set(CMAKE_CXX_FLAGS_WARN "${CMAKE_CXX_FLAGS_WARN} -pedantic -Wshadow -Wextra") # If we are compiling on Linux then set some extra linker flags too if(CMAKE_SYSTEM_NAME MATCHES Linux) set(CMAKE_SHARED_LINKER_FLAGS "-Wl,--fatal-warnings -Wl,--no-undefined -lc ${CMAKE_SHARED_LINKER_FLAGS}") set(CMAKE_MODULE_LINKER_FLAGS "-Wl,--fatal-warnings -Wl,--no-undefined -lc ${CMAKE_MODULE_LINKER_FLAGS}") set (CMAKE_EXE_LINKER_FLAGS "-Wl,--fatal-warnings -Wl,--no-undefined -lc ${CMAKE_EXE_LINKER_FLAGS}") endif() # Set up the debug CXX_FLAGS for extra warnings set(CMAKE_CXX_FLAGS_RELWITHDEBINFO "${CMAKE_CXX_FLAGS_RELWITHDEBINFO} ${CMAKE_CXX_FLAGS_WARN}") set(CMAKE_CXX_FLAGS_DEBUG "${CMAKE_CXX_FLAGS_DEBUG} ${CMAKE_CXX_FLAGS_WARN} ${CMAKE_CXX_FLAGS_ERROR}") set(CMAKE_CXX_FLAGS_RELEASE "-O2 -DNDEBUG") # Sanitizers set(CMAKE_CXX_FLAGS_TSAN "-fsanitize=thread -g -O1") set(CMAKE_CXX_FLAGS_ASAN "-fsanitize=address -fno-optimize-sibling-calls -fsanitize-address-use-after-scope -fno-omit-frame-pointer -g -O1") set(CMAKE_CXX_FLAGS_LSAN "-fsanitize=leak -fno-omit-frame-pointer -g -O1") set(CMAKE_CXX_FLAGS_MSAN "-fsanitize=memory -fno-optimize-sibling-calls -fsanitize-memory-track-origins=2 -fno-omit-frame-pointer -g -O2") set(CMAKE_CXX_FLAGS_UBSAN "-fsanitize=undefined") endif() avogadrolibs-1.100.0/cmake/DetermineVersion.cmake000066400000000000000000000042331474375334400217110ustar00rootroot00000000000000# Used to determine the version for OpenChemistry source using "git describe", if git # is found. On success sets following variables in caller's scope: # ${var_prefix}_VERSION # ${var_prefix}_VERSION_MAJOR # ${var_prefix}_VERSION_MINOR # ${var_prefix}_VERSION_PATCH # ${var_prefix}_VERSION_PATCH_EXTRA # ${var_prefix}_VERSION_IS_RELEASE is patch-extra is empty. # # If git is not found, or git describe cannot be run successfully, then these # variables are left unchanged and status message is printed. # # Arguments are: # source_dir : Source directory # git_command : git executable # var_prefix : prefix for variables e.g. "AvogadroApp". function(determine_version source_dir git_command var_prefix) set (major) set (minor) set (patch) set (full) set (patch_extra) if (EXISTS ${git_command}) execute_process( COMMAND ${git_command} describe WORKING_DIRECTORY ${source_dir} RESULT_VARIABLE result OUTPUT_VARIABLE output ERROR_QUIET OUTPUT_STRIP_TRAILING_WHITESPACE ERROR_STRIP_TRAILING_WHITESPACE) if (${result} EQUAL 0) string(REGEX MATCH "([0-9]+)\\.([0-9]+)\\.([0-9]+)[-]*(.*)" version_matches ${output}) if (CMAKE_MATCH_0) message(STATUS "Determined Source Version : ${CMAKE_MATCH_0}") set (full ${CMAKE_MATCH_0}) set (major ${CMAKE_MATCH_1}) set (minor ${CMAKE_MATCH_2}) set (patch ${CMAKE_MATCH_3}) set (patch_extra ${CMAKE_MATCH_4}) endif() endif() endif() if (full) set (${var_prefix}_VERSION ${full} PARENT_SCOPE) set (${var_prefix}_VERSION_MAJOR ${major} PARENT_SCOPE) set (${var_prefix}_VERSION_MINOR ${minor} PARENT_SCOPE) set (${var_prefix}_VERSION_PATCH ${patch} PARENT_SCOPE) set (${var_prefix}_VERSION_PATCH_EXTRA ${patch_extra} PARENT_SCOPE) if ("${major}.${minor}.${patch}" EQUAL "${full}") set (${var_prefix}_VERSION_IS_RELEASE TRUE PARENT_SCOPE) else () set (${var_prefix}_VERSION_IS_RELEASE FALSE PARENT_SCOPE) endif() else() message(STATUS "Could not use git to determine source version, using version ${${var_prefix}_VERSION}" ) endif() endfunction()avogadrolibs-1.100.0/cmake/DownloadGenXrdPattern.cmake000066400000000000000000000047461474375334400226550ustar00rootroot00000000000000# Written by Patrick S. Avery - 2018 # Downloads the executable if it doesn't already exist macro(DownloadGenXrdPattern) # Let's set the name. Windows likes to add '.exe' at the end if(WIN32) set(GENXRDPATTERN_NAME "genXrdPattern.exe") else(WIN32) set(GENXRDPATTERN_NAME "genXrdPattern") endif(WIN32) # If it already exists, don't download it again if(NOT EXISTS "${CMAKE_CURRENT_BINARY_DIR}/bin/${GENXRDPATTERN_NAME}") set(GENXRDPATTERN_V "1.0-static") # Linux if(UNIX AND NOT APPLE) set(GENXRDPATTERN_DOWNLOAD_LOCATION "https://github.com/psavery/genXrdPattern/releases/download/${GENXRDPATTERN_V}/linux64-genXrdPattern") set(MD5 "e1b3c1d6b951ed83a037567490d75f1d") # Apple elseif(APPLE) set(GENXRDPATTERN_DOWNLOAD_LOCATION "https://github.com/psavery/genXrdPattern/releases/download/${GENXRDPATTERN_V}/osx64-genXrdPattern") set(MD5 "229b01c8efab981d812043684dae84fe") # Windows elseif(WIN32 AND NOT CYGWIN) set(GENXRDPATTERN_DOWNLOAD_LOCATION "https://github.com/psavery/genXrdPattern/releases/download/${GENXRDPATTERN_V}/win64-genXrdPattern.exe") set(MD5 "7b1a1e18a6044773c631189cbfd8b440") else() message(FATAL_ERROR "GenXrdPattern is not supported with the current OS type!") endif() message(STATUS "Downloading genXrdPattern executable from ${GENXRDPATTERN_DOWNLOAD_LOCATION}") # Install to a temporary directory so we can copy and change file # permissions file(DOWNLOAD "${GENXRDPATTERN_DOWNLOAD_LOCATION}" "${CMAKE_CURRENT_BINARY_DIR}/tmp/${GENXRDPATTERN_NAME}" SHOW_PROGRESS EXPECTED_MD5 ${MD5}) # We need to change the permissions file(COPY "${CMAKE_CURRENT_BINARY_DIR}/tmp/${GENXRDPATTERN_NAME}" DESTINATION "${CMAKE_CURRENT_BINARY_DIR}/bin/" FILE_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE) # Now remove the temporary directory file(REMOVE_RECURSE "${CMAKE_CURRENT_BINARY_DIR}/tmp") endif(NOT EXISTS "${CMAKE_CURRENT_BINARY_DIR}/bin/${GENXRDPATTERN_NAME}") set(GENXRDPATTERN_DESTINATION "bin") install(FILES "${CMAKE_CURRENT_BINARY_DIR}/bin/${GENXRDPATTERN_NAME}" DESTINATION "${GENXRDPATTERN_DESTINATION}" PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE) endmacro(DownloadGenXrdPattern) avogadrolibs-1.100.0/cmake/FindMMTF.cmake000066400000000000000000000011001474375334400177610ustar00rootroot00000000000000# Find the MMTF library # # Defines: # # MMTF_FOUND - system has MMTF # MMTF_INCLUDE_DIRS - the MMTF include directories # find_path(MMTF_INCLUDE_DIR mmtf.hpp) set(MMTF_INCLUDE_DIRS "${MMTF_INCLUDE_DIR}") include(FindPackageHandleStandardArgs) find_package_handle_standard_args(MMTF DEFAULT_MSG MMTF_INCLUDE_DIR) mark_as_advanced(MMTF_INCLUDE_DIR) if(MMTF_FOUND) if(NOT TARGET mmtf::mmtf) add_library(mmtf::mmtf INTERFACE IMPORTED) set_target_properties(mmtf::mmtf PROPERTIES INTERFACE_INCLUDE_DIRECTORIES "${MMTF_INCLUDE_DIR}") endif() endif() avogadrolibs-1.100.0/cmake/FindOpenBabel3.cmake000066400000000000000000000020621474375334400211400ustar00rootroot00000000000000# Find the OpenBabel3 library # # Defines: # # OpenBabel3_FOUND - system has OpenBabel # OpenBabel3_INCLUDE_DIRS - the OpenBabel include directories # OpenBabel3_LIBRARY - The OpenBabel library # find_path(OpenBabel3_INCLUDE_DIR openbabel3/openbabel/babelconfig.h) if(OPENBABEL3_INCLUDE_DIR) set(OPENBABEL3_INCLUDE_DIR ${OPENBABEL3_INCLUDE_DIR}/openbabel3) endif() find_library(OpenBabel3_LIBRARY NAMES openbabel openbabel3 openbabel-3) include(FindPackageHandleStandardArgs) find_package_handle_standard_args(OpenBabel3 DEFAULT_MSG OpenBabel3_INCLUDE_DIR OpenBabel3_LIBRARY) mark_as_advanced(OpenBabel3_INCLUDE_DIR OpenBabel3_LIBRARY) if(OpenBabel3_FOUND) set(OpenBabel3_INCLUDE_DIRS "${OpenBabel3_INCLUDE_DIR}") if(NOT TARGET OpenBabel3) add_library(OpenBabel3 SHARED IMPORTED GLOBAL) set_target_properties(OpenBabel3 PROPERTIES IMPORTED_LOCATION "${OpenBabel3_LIBRARY}" IMPORTED_IMPLIB "${OpenBabel3_LIBRARY}" INTERFACE_INCLUDE_DIRECTORIES "${OpenBabel3_INCLUDE_DIR}") endif() endif() avogadrolibs-1.100.0/cmake/Findlibmsym.cmake000066400000000000000000000011271474375334400207030ustar00rootroot00000000000000# Find the libmsym library # # Defines: # # LIBMSYM_FOUND - system has LIBMSYM # LIBMSYM_INCLUDE_DIRS - the LIBMSYM include directories # LIBMSYM_LIBRARIES - The LIBMSYM library # find_path(LIBMSYM_INCLUDE_DIR libmsym/msym.h) find_library(LIBMSYM_LIBRARY NAMES libmsym) set(LIBMSYM_INCLUDE_DIRS "${LIBMSYM_INCLUDE_DIR}") set(LIBMSYM_LIBRARIES "${LIBMSYM_LIBRARY}") include(FindPackageHandleStandardArgs) find_package_handle_standard_args(LIBMSYM DEFAULT_MSG LIBMSYM_INCLUDE_DIR LIBMSYM_LIBRARY) mark_as_advanced(LIBMSYM_INCLUDE_DIR LIBMSYM_LIBRARY) avogadrolibs-1.100.0/cmake/InstallLocation.cmake000066400000000000000000000032561474375334400215320ustar00rootroot00000000000000# Some default installation locations. These should be global, with any project # specific locations added to the end. These paths are all relative to the # install prefix. # # These paths attempt to adhere to the FHS, and are similar to those provided # by autotools and used in many Linux distributions. # # Use GNU install directories include(GNUInstallDirs) if(NOT INSTALL_RUNTIME_DIR) set(INSTALL_RUNTIME_DIR "${CMAKE_INSTALL_BINDIR}") endif() if(NOT INSTALL_LIBRARY_DIR) set(INSTALL_LIBRARY_DIR "${CMAKE_INSTALL_LIBDIR}") endif() if(NOT INSTALL_ARCHIVE_DIR) set(INSTALL_ARCHIVE_DIR "${CMAKE_INSTALL_LIBDIR}") endif() if(NOT INSTALL_INCLUDE_DIR) set(INSTALL_INCLUDE_DIR "${CMAKE_INSTALL_INCLUDEDIR}") endif() if(NOT INSTALL_DATA_DIR) set(INSTALL_DATA_DIR "${CMAKE_INSTALL_DATAROOTDIR}") endif() if(NOT INSTALL_DOC_DIR) set(INSTALL_DOC_DIR "${CMAKE_INSTALL_DOCDIR}") endif() if(NOT INSTALL_MAN_DIR) set(INSTALL_MAN_DIR "${CMAKE_INSTALL_MANDIR}") endif() if(UNIX AND NOT APPLE) if(NOT INSTALL_XDG_APP_DIR) set(INSTALL_XDG_APPS_DIR "${INSTALL_DATA_DIR}/applications") endif() if(NOT INSTALL_XDG_ICON_DIR) set(INSTALL_XDG_ICON_DIR "${INSTALL_DATA_DIR}/pixmaps") endif() endif() # Set up RPATH for the project too. option(ENABLE_RPATH "Enable rpath support on Linux and Mac" ON) if(NOT CMAKE_INSTALL_RPATH) set(CMAKE_INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/${INSTALL_LIBRARY_DIR}") endif() if(APPLE AND NOT CMAKE_INSTALL_NAME_DIR) set(CMAKE_INSTALL_NAME_DIR "${CMAKE_INSTALL_PREFIX}/${INSTALL_LIBRARY_DIR}") endif() if(UNIX AND ENABLE_RPATH) set(CMAKE_SKIP_BUILD_RPATH FALSE) set(CMAKE_BUILD_WITH_INSTALL_RPATH FALSE) set(CMAKE_INSTALL_RPATH_USE_LINK_PATH TRUE) endif() avogadrolibs-1.100.0/cmake/avogadroplugin.cpp.in000066400000000000000000000020051474375334400215520ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include @PluginIncludes@ namespace Avogadro::QtPlugins { class @PluginName@Factory : public QObject, public QtGui::@PluginType@Factory { Q_OBJECT Q_PLUGIN_METADATA(IID "org.openchemistry.avogadro.@PluginType@Factory") Q_INTERFACES(Avogadro::QtGui::@PluginType@Factory) public: explicit @PluginName@Factory(QObject *parent_ = nullptr) : QObject(parent_) {} QtGui::@PluginType@ * createInstance(QObject *parent_ = nullptr) { auto *object = new @PluginClass@(parent_); object->setObjectName("@PluginName@"); return object; } QString identifier() const { return "@PluginName@"; } QString description() const { return "@PluginDescription@"; } }; } #include "@PluginName@Plugin.moc" avogadrolibs-1.100.0/cmake/version.h.in000066400000000000000000000015641474375334400176740ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright 2013 Kitware, Inc. This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #ifndef VERSION_H_ #define VERSION_H_ #include "avogadrocoreexport.h" #cmakedefine AvogadroLibs_VERSION "@AvogadroLibs_VERSION@" namespace Avogadro { AVOGADROCORE_EXPORT const char *version(); } // end Avogadro namespace #endif /* VERSION_H_ */ avogadrolibs-1.100.0/docs/000077500000000000000000000000001474375334400152735ustar00rootroot00000000000000avogadrolibs-1.100.0/docs/CMakeLists.txt000066400000000000000000000007221474375334400200340ustar00rootroot00000000000000find_package(Doxygen REQUIRED) set(doxygen_source_dirs "${AvogadroLibs_SOURCE_DIR}/avogadro ${AvogadroLibs_SOURCE_DIR}/docs") set(doxygen_output_dir "${CMAKE_CURRENT_BINARY_DIR}") configure_file("${CMAKE_CURRENT_SOURCE_DIR}/doxyfile.in" "${CMAKE_CURRENT_BINARY_DIR}/doxyfile") add_custom_target(documentation COMMAND ${CMAKE_COMMAND} -E remove_directory ${CMAKE_CURRENT_BINARY_DIR}/html COMMAND ${DOXYGEN_EXECUTABLE} ${CMAKE_CURRENT_BINARY_DIR}/doxyfile) avogadrolibs-1.100.0/docs/OpenChemistry128.png000066400000000000000000001032651474375334400210340ustar00rootroot00000000000000PNG  IHDR]׎gAMA a cHRMz&u0`:pQ<bKGD pHYs  orNTϢwIDATxgXGטjaݶ@ w٥wQ޻+"ػhlb14cLbya C {=3̜9FC @ @ @ @ؔ*Ǝ;6lu+VXhѢ[n]iӦ6m ~:Z @ F3r!!a A&BR?dr0p֭Ko[D o߾.]^Vk $$-ahA&Cll쭜&@ .իWF$`Kׇ@PRRz(--D-@ R^^uM.W@xxƿGZBq( 0@ .Ƶk|j6uTGEEE p '**FʿCTp?/ ~!Z@ 'r!2ܮRaĈQ9peee,.fCX<P .]>ʑڢVk`Q c.!h>]C@ 9}tL&?,,Rz@ pᒑ*%`<8m @ Ș1c:Stz9@ A ~V:M!бcz@ >v-2@ @AAAV@ ~6cƌ(e0@ vӢaj͓0p\II].B †ܽ{EFR;Ztց\xֵkwKKK=Q!alҥ]#>S*U.eN:ի ԃ@IQQQ`=Iѱ)aT@RWeee D@4/=zlN``c6)~) %txn۶m:Գ@Aee[3gV5/ 00w!@ jٹ3/cǎWd29w=j (M}-<@ .%%%> d29t&@ddTʕ+SQa@R\v9f̘Vܤ~]%$$rF#@ Mhvځ e7?@T=ݻ .A D#//O}^&7k}(jt:sΝi4[т@ FOiixA;J՟:ޮ %:CsD>\6"'gmw4r(w^I&͔J3|oHH(ɠ{gg^վ}vп#'O 6lJL(*ҥ|Ih@!!!*[aa_.X?^[T^ǚr/3>q,&&L&>n:4}Syy9,@,u޳DT휿6B|د߀FUW]\B3nZk]1B|ؿ^Dƍ{W(JP5ߍ;~ryyyK42|gAI>>пN<ې}؆ z8x^rCC*L&LR gz}wY9`0o5~i=߻? ::u6vE#@ N)SjŢP(!66㜜K{޽ׯ_Ѯ[.yݺu=rrrBϟ?W]]f D]t&+*r;x@@8m۶GGG WԠP(orݻWӵk3r®Wu:=T߇ <4aw.^ۭ[AAR:tz俍5j >|Μ9CBBn? 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PYTHON_DOCSTRING = YES # If the INHERIT_DOCS tag is set to YES then an undocumented member inherits the # documentation from any documented member that it re-implements. # The default value is: YES. INHERIT_DOCS = YES # If the SEPARATE_MEMBER_PAGES tag is set to YES then doxygen will produce a new # page for each member. If set to NO, the documentation of a member will be part # of the file/class/namespace that contains it. # The default value is: NO. SEPARATE_MEMBER_PAGES = NO # The TAB_SIZE tag can be used to set the number of spaces in a tab. Doxygen # uses this value to replace tabs by spaces in code fragments. # Minimum value: 1, maximum value: 16, default value: 4. TAB_SIZE = 2 # This tag can be used to specify a number of aliases that act as commands in # the documentation. An alias has the form: # name=value # For example adding # "sideeffect=@par Side Effects:\n" # will allow you to put the command \sideeffect (or @sideeffect) in the # documentation, which will result in a user-defined paragraph with heading # "Side Effects:". You can put \n's in the value part of an alias to insert # newlines (in the resulting output). You can put ^^ in the value part of an # alias to insert a newline as if a physical newline was in the original file. # When you need a literal { or } or , in the value part of an alias you have to # escape them by means of a backslash (\), this can lead to conflicts with the # commands \{ and \} for these it is advised to use the version @{ and @} or use # a double escape (\\{ and \\}) ALIASES = # Set the OPTIMIZE_OUTPUT_FOR_C tag to YES if your project consists of C sources # only. Doxygen will then generate output that is more tailored for C. For # instance, some of the names that are used will be different. The list of all # members will be omitted, etc. # The default value is: NO. OPTIMIZE_OUTPUT_FOR_C = NO # Set the OPTIMIZE_OUTPUT_JAVA tag to YES if your project consists of Java or # Python sources only. Doxygen will then generate output that is more tailored # for that language. For instance, namespaces will be presented as packages, # qualified scopes will look different, etc. # The default value is: NO. OPTIMIZE_OUTPUT_JAVA = NO # Set the OPTIMIZE_FOR_FORTRAN tag to YES if your project consists of Fortran # sources. Doxygen will then generate output that is tailored for Fortran. # The default value is: NO. OPTIMIZE_FOR_FORTRAN = NO # Set the OPTIMIZE_OUTPUT_VHDL tag to YES if your project consists of VHDL # sources. Doxygen will then generate output that is tailored for VHDL. # The default value is: NO. OPTIMIZE_OUTPUT_VHDL = NO # Set the OPTIMIZE_OUTPUT_SLICE tag to YES if your project consists of Slice # sources only. Doxygen will then generate output that is more tailored for that # language. For instance, namespaces will be presented as modules, types will be # separated into more groups, etc. # The default value is: NO. OPTIMIZE_OUTPUT_SLICE = NO # Doxygen selects the parser to use depending on the extension of the files it # parses. With this tag you can assign which parser to use for a given # extension. Doxygen has a built-in mapping, but you can override or extend it # using this tag. The format is ext=language, where ext is a file extension, and # language is one of the parsers supported by doxygen: IDL, Java, JavaScript, # Csharp (C#), C, C++, D, PHP, md (Markdown), Objective-C, Python, Slice, VHDL, # Fortran (fixed format Fortran: FortranFixed, free formatted Fortran: # FortranFree, unknown formatted Fortran: Fortran. In the later case the parser # tries to guess whether the code is fixed or free formatted code, this is the # default for Fortran type files). For instance to make doxygen treat .inc files # as Fortran files (default is PHP), and .f files as C (default is Fortran), # use: inc=Fortran f=C. # # Note: For files without extension you can use no_extension as a placeholder. # # Note that for custom extensions you also need to set FILE_PATTERNS otherwise # the files are not read by doxygen. When specifying no_extension you should add # * to the FILE_PATTERNS. # # Note see also the list of default file extension mappings. EXTENSION_MAPPING = # If the MARKDOWN_SUPPORT tag is enabled then doxygen pre-processes all comments # according to the Markdown format, which allows for more readable # documentation. See https://daringfireball.net/projects/markdown/ for details. # The output of markdown processing is further processed by doxygen, so you can # mix doxygen, HTML, and XML commands with Markdown formatting. Disable only in # case of backward compatibilities issues. # The default value is: YES. MARKDOWN_SUPPORT = YES # When the TOC_INCLUDE_HEADINGS tag is set to a non-zero value, all headings up # to that level are automatically included in the table of contents, even if # they do not have an id attribute. # Note: This feature currently applies only to Markdown headings. # Minimum value: 0, maximum value: 99, default value: 5. # This tag requires that the tag MARKDOWN_SUPPORT is set to YES. TOC_INCLUDE_HEADINGS = 5 # When enabled doxygen tries to link words that correspond to documented # classes, or namespaces to their corresponding documentation. Such a link can # be prevented in individual cases by putting a % sign in front of the word or # globally by setting AUTOLINK_SUPPORT to NO. # The default value is: YES. AUTOLINK_SUPPORT = YES # If you use STL classes (i.e. std::string, std::vector, etc.) but do not want # to include (a tag file for) the STL sources as input, then you should set this # tag to YES in order to let doxygen match functions declarations and # definitions whose arguments contain STL classes (e.g. func(std::string); # versus func(std::string) {}). This also make the inheritance and collaboration # diagrams that involve STL classes more complete and accurate. # The default value is: NO. BUILTIN_STL_SUPPORT = YES # If you use Microsoft's C++/CLI language, you should set this option to YES to # enable parsing support. # The default value is: NO. CPP_CLI_SUPPORT = NO # Set the SIP_SUPPORT tag to YES if your project consists of sip (see: # https://www.riverbankcomputing.com/software/sip/intro) sources only. Doxygen # will parse them like normal C++ but will assume all classes use public instead # of private inheritance when no explicit protection keyword is present. # The default value is: NO. SIP_SUPPORT = NO # For Microsoft's IDL there are propget and propput attributes to indicate # getter and setter methods for a property. Setting this option to YES will make # doxygen to replace the get and set methods by a property in the documentation. # This will only work if the methods are indeed getting or setting a simple # type. If this is not the case, or you want to show the methods anyway, you # should set this option to NO. # The default value is: YES. IDL_PROPERTY_SUPPORT = YES # If member grouping is used in the documentation and the DISTRIBUTE_GROUP_DOC # tag is set to YES then doxygen will reuse the documentation of the first # member in the group (if any) for the other members of the group. By default # all members of a group must be documented explicitly. # The default value is: NO. DISTRIBUTE_GROUP_DOC = YES # If one adds a struct or class to a group and this option is enabled, then also # any nested class or struct is added to the same group. By default this option # is disabled and one has to add nested compounds explicitly via \ingroup. # The default value is: NO. GROUP_NESTED_COMPOUNDS = NO # Set the SUBGROUPING tag to YES to allow class member groups of the same type # (for instance a group of public functions) to be put as a subgroup of that # type (e.g. under the Public Functions section). Set it to NO to prevent # subgrouping. Alternatively, this can be done per class using the # \nosubgrouping command. # The default value is: YES. SUBGROUPING = YES # When the INLINE_GROUPED_CLASSES tag is set to YES, classes, structs and unions # are shown inside the group in which they are included (e.g. using \ingroup) # instead of on a separate page (for HTML and Man pages) or section (for LaTeX # and RTF). # # Note that this feature does not work in combination with # SEPARATE_MEMBER_PAGES. # The default value is: NO. INLINE_GROUPED_CLASSES = NO # When the INLINE_SIMPLE_STRUCTS tag is set to YES, structs, classes, and unions # with only public data fields or simple typedef fields will be shown inline in # the documentation of the scope in which they are defined (i.e. file, # namespace, or group documentation), provided this scope is documented. If set # to NO, structs, classes, and unions are shown on a separate page (for HTML and # Man pages) or section (for LaTeX and RTF). # The default value is: NO. INLINE_SIMPLE_STRUCTS = NO # When TYPEDEF_HIDES_STRUCT tag is enabled, a typedef of a struct, union, or # enum is documented as struct, union, or enum with the name of the typedef. So # typedef struct TypeS {} TypeT, will appear in the documentation as a struct # with name TypeT. When disabled the typedef will appear as a member of a file, # namespace, or class. And the struct will be named TypeS. This can typically be # useful for C code in case the coding convention dictates that all compound # types are typedef'ed and only the typedef is referenced, never the tag name. # The default value is: NO. TYPEDEF_HIDES_STRUCT = YES # The size of the symbol lookup cache can be set using LOOKUP_CACHE_SIZE. This # cache is used to resolve symbols given their name and scope. Since this can be # an expensive process and often the same symbol appears multiple times in the # code, doxygen keeps a cache of pre-resolved symbols. If the cache is too small # doxygen will become slower. If the cache is too large, memory is wasted. The # cache size is given by this formula: 2^(16+LOOKUP_CACHE_SIZE). The valid range # is 0..9, the default is 0, corresponding to a cache size of 2^16=65536 # symbols. At the end of a run doxygen will report the cache usage and suggest # the optimal cache size from a speed point of view. # Minimum value: 0, maximum value: 9, default value: 0. LOOKUP_CACHE_SIZE = 0 # The NUM_PROC_THREADS specifies the number threads doxygen is allowed to use # during processing. When set to 0 doxygen will based this on the number of # cores available in the system. You can set it explicitly to a value larger # than 0 to get more control over the balance between CPU load and processing # speed. At this moment only the input processing can be done using multiple # threads. Since this is still an experimental feature the default is set to 1, # which efficively disables parallel processing. Please report any issues you # encounter. Generating dot graphs in parallel is controlled by the # DOT_NUM_THREADS setting. # Minimum value: 0, maximum value: 32, default value: 1. NUM_PROC_THREADS = 1 #--------------------------------------------------------------------------- # Build related configuration options #--------------------------------------------------------------------------- # If the EXTRACT_ALL tag is set to YES, doxygen will assume all entities in # documentation are documented, even if no documentation was available. Private # class members and static file members will be hidden unless the # EXTRACT_PRIVATE respectively EXTRACT_STATIC tags are set to YES. # Note: This will also disable the warnings about undocumented members that are # normally produced when WARNINGS is set to YES. # The default value is: NO. EXTRACT_ALL = NO # If the EXTRACT_PRIVATE tag is set to YES, all private members of a class will # be included in the documentation. # The default value is: NO. EXTRACT_PRIVATE = NO # If the EXTRACT_PRIV_VIRTUAL tag is set to YES, documented private virtual # methods of a class will be included in the documentation. # The default value is: NO. EXTRACT_PRIV_VIRTUAL = NO # If the EXTRACT_PACKAGE tag is set to YES, all members with package or internal # scope will be included in the documentation. # The default value is: NO. EXTRACT_PACKAGE = NO # If the EXTRACT_STATIC tag is set to YES, all static members of a file will be # included in the documentation. # The default value is: NO. EXTRACT_STATIC = YES # If the EXTRACT_LOCAL_CLASSES tag is set to YES, classes (and structs) defined # locally in source files will be included in the documentation. If set to NO, # only classes defined in header files are included. Does not have any effect # for Java sources. # The default value is: YES. EXTRACT_LOCAL_CLASSES = NO # This flag is only useful for Objective-C code. If set to YES, local methods, # which are defined in the implementation section but not in the interface are # included in the documentation. If set to NO, only methods in the interface are # included. # The default value is: NO. EXTRACT_LOCAL_METHODS = NO # If this flag is set to YES, the members of anonymous namespaces will be # extracted and appear in the documentation as a namespace called # 'anonymous_namespace{file}', where file will be replaced with the base name of # the file that contains the anonymous namespace. By default anonymous namespace # are hidden. # The default value is: NO. EXTRACT_ANON_NSPACES = NO # If this flag is set to YES, the name of an unnamed parameter in a declaration # will be determined by the corresponding definition. By default unnamed # parameters remain unnamed in the output. # The default value is: YES. RESOLVE_UNNAMED_PARAMS = YES # If the HIDE_UNDOC_MEMBERS tag is set to YES, doxygen will hide all # undocumented members inside documented classes or files. If set to NO these # members will be included in the various overviews, but no documentation # section is generated. This option has no effect if EXTRACT_ALL is enabled. # The default value is: NO. HIDE_UNDOC_MEMBERS = NO # If the HIDE_UNDOC_CLASSES tag is set to YES, doxygen will hide all # undocumented classes that are normally visible in the class hierarchy. If set # to NO, these classes will be included in the various overviews. This option # has no effect if EXTRACT_ALL is enabled. # The default value is: NO. HIDE_UNDOC_CLASSES = NO # If the HIDE_FRIEND_COMPOUNDS tag is set to YES, doxygen will hide all friend # declarations. If set to NO, these declarations will be included in the # documentation. # The default value is: NO. HIDE_FRIEND_COMPOUNDS = YES # If the HIDE_IN_BODY_DOCS tag is set to YES, doxygen will hide any # documentation blocks found inside the body of a function. If set to NO, these # blocks will be appended to the function's detailed documentation block. # The default value is: NO. HIDE_IN_BODY_DOCS = NO # The INTERNAL_DOCS tag determines if documentation that is typed after a # \internal command is included. If the tag is set to NO then the documentation # will be excluded. Set it to YES to include the internal documentation. # The default value is: NO. INTERNAL_DOCS = NO # With the correct setting of option CASE_SENSE_NAMES doxygen will better be # able to match the capabilities of the underlying filesystem. In case the # filesystem is case sensitive (i.e. it supports files in the same directory # whose names only differ in casing), the option must be set to YES to properly # deal with such files in case they appear in the input. For filesystems that # are not case sensitive the option should be be set to NO to properly deal with # output files written for symbols that only differ in casing, such as for two # classes, one named CLASS and the other named Class, and to also support # references to files without having to specify the exact matching casing. On # Windows (including Cygwin) and MacOS, users should typically set this option # to NO, whereas on Linux or other Unix flavors it should typically be set to # YES. # The default value is: system dependent. CASE_SENSE_NAMES = NO # If the HIDE_SCOPE_NAMES tag is set to NO then doxygen will show members with # their full class and namespace scopes in the documentation. If set to YES, the # scope will be hidden. # The default value is: NO. HIDE_SCOPE_NAMES = YES # If the HIDE_COMPOUND_REFERENCE tag is set to NO (default) then doxygen will # append additional text to a page's title, such as Class Reference. If set to # YES the compound reference will be hidden. # The default value is: NO. HIDE_COMPOUND_REFERENCE= NO # If the SHOW_INCLUDE_FILES tag is set to YES then doxygen will put a list of # the files that are included by a file in the documentation of that file. # The default value is: YES. SHOW_INCLUDE_FILES = YES # If the SHOW_GROUPED_MEMB_INC tag is set to YES then Doxygen will add for each # grouped member an include statement to the documentation, telling the reader # which file to include in order to use the member. # The default value is: NO. SHOW_GROUPED_MEMB_INC = NO # If the FORCE_LOCAL_INCLUDES tag is set to YES then doxygen will list include # files with double quotes in the documentation rather than with sharp brackets. # The default value is: NO. FORCE_LOCAL_INCLUDES = NO # If the INLINE_INFO tag is set to YES then a tag [inline] is inserted in the # documentation for inline members. # The default value is: YES. INLINE_INFO = NO # If the SORT_MEMBER_DOCS tag is set to YES then doxygen will sort the # (detailed) documentation of file and class members alphabetically by member # name. If set to NO, the members will appear in declaration order. # The default value is: YES. SORT_MEMBER_DOCS = NO # If the SORT_BRIEF_DOCS tag is set to YES then doxygen will sort the brief # descriptions of file, namespace and class members alphabetically by member # name. If set to NO, the members will appear in declaration order. Note that # this will also influence the order of the classes in the class list. # The default value is: NO. SORT_BRIEF_DOCS = NO # If the SORT_MEMBERS_CTORS_1ST tag is set to YES then doxygen will sort the # (brief and detailed) documentation of class members so that constructors and # destructors are listed first. If set to NO the constructors will appear in the # respective orders defined by SORT_BRIEF_DOCS and SORT_MEMBER_DOCS. # Note: If SORT_BRIEF_DOCS is set to NO this option is ignored for sorting brief # member documentation. # Note: If SORT_MEMBER_DOCS is set to NO this option is ignored for sorting # detailed member documentation. # The default value is: NO. SORT_MEMBERS_CTORS_1ST = YES # If the SORT_GROUP_NAMES tag is set to YES then doxygen will sort the hierarchy # of group names into alphabetical order. If set to NO the group names will # appear in their defined order. # The default value is: NO. SORT_GROUP_NAMES = NO # If the SORT_BY_SCOPE_NAME tag is set to YES, the class list will be sorted by # fully-qualified names, including namespaces. If set to NO, the class list will # be sorted only by class name, not including the namespace part. # Note: This option is not very useful if HIDE_SCOPE_NAMES is set to YES. # Note: This option applies only to the class list, not to the alphabetical # list. # The default value is: NO. SORT_BY_SCOPE_NAME = NO # If the STRICT_PROTO_MATCHING option is enabled and doxygen fails to do proper # type resolution of all parameters of a function it will reject a match between # the prototype and the implementation of a member function even if there is # only one candidate or it is obvious which candidate to choose by doing a # simple string match. By disabling STRICT_PROTO_MATCHING doxygen will still # accept a match between prototype and implementation in such cases. # The default value is: NO. STRICT_PROTO_MATCHING = NO # The GENERATE_TODOLIST tag can be used to enable (YES) or disable (NO) the todo # list. This list is created by putting \todo commands in the documentation. # The default value is: YES. GENERATE_TODOLIST = NO # The GENERATE_TESTLIST tag can be used to enable (YES) or disable (NO) the test # list. This list is created by putting \test commands in the documentation. # The default value is: YES. GENERATE_TESTLIST = NO # The GENERATE_BUGLIST tag can be used to enable (YES) or disable (NO) the bug # list. This list is created by putting \bug commands in the documentation. # The default value is: YES. GENERATE_BUGLIST = NO # The GENERATE_DEPRECATEDLIST tag can be used to enable (YES) or disable (NO) # the deprecated list. This list is created by putting \deprecated commands in # the documentation. # The default value is: YES. GENERATE_DEPRECATEDLIST= YES # The ENABLED_SECTIONS tag can be used to enable conditional documentation # sections, marked by \if ... \endif and \cond # ... \endcond blocks. ENABLED_SECTIONS = # The MAX_INITIALIZER_LINES tag determines the maximum number of lines that the # initial value of a variable or macro / define can have for it to appear in the # documentation. If the initializer consists of more lines than specified here # it will be hidden. Use a value of 0 to hide initializers completely. The # appearance of the value of individual variables and macros / defines can be # controlled using \showinitializer or \hideinitializer command in the # documentation regardless of this setting. # Minimum value: 0, maximum value: 10000, default value: 30. MAX_INITIALIZER_LINES = 30 # Set the SHOW_USED_FILES tag to NO to disable the list of files generated at # the bottom of the documentation of classes and structs. If set to YES, the # list will mention the files that were used to generate the documentation. # The default value is: YES. SHOW_USED_FILES = YES # Set the SHOW_FILES tag to NO to disable the generation of the Files page. This # will remove the Files entry from the Quick Index and from the Folder Tree View # (if specified). # The default value is: YES. SHOW_FILES = YES # Set the SHOW_NAMESPACES tag to NO to disable the generation of the Namespaces # page. This will remove the Namespaces entry from the Quick Index and from the # Folder Tree View (if specified). # The default value is: YES. SHOW_NAMESPACES = YES # The FILE_VERSION_FILTER tag can be used to specify a program or script that # doxygen should invoke to get the current version for each file (typically from # the version control system). Doxygen will invoke the program by executing (via # popen()) the command command input-file, where command is the value of the # FILE_VERSION_FILTER tag, and input-file is the name of an input file provided # by doxygen. Whatever the program writes to standard output is used as the file # version. For an example see the documentation. FILE_VERSION_FILTER = # The LAYOUT_FILE tag can be used to specify a layout file which will be parsed # by doxygen. The layout file controls the global structure of the generated # output files in an output format independent way. To create the layout file # that represents doxygen's defaults, run doxygen with the -l option. You can # optionally specify a file name after the option, if omitted DoxygenLayout.xml # will be used as the name of the layout file. # # Note that if you run doxygen from a directory containing a file called # DoxygenLayout.xml, doxygen will parse it automatically even if the LAYOUT_FILE # tag is left empty. LAYOUT_FILE = # The CITE_BIB_FILES tag can be used to specify one or more bib files containing # the reference definitions. This must be a list of .bib files. The .bib # extension is automatically appended if omitted. This requires the bibtex tool # to be installed. See also https://en.wikipedia.org/wiki/BibTeX for more info. # For LaTeX the style of the bibliography can be controlled using # LATEX_BIB_STYLE. To use this feature you need bibtex and perl available in the # search path. See also \cite for info how to create references. CITE_BIB_FILES = #--------------------------------------------------------------------------- # Configuration options related to warning and progress messages #--------------------------------------------------------------------------- # The QUIET tag can be used to turn on/off the messages that are generated to # standard output by doxygen. If QUIET is set to YES this implies that the # messages are off. # The default value is: NO. QUIET = NO # The WARNINGS tag can be used to turn on/off the warning messages that are # generated to standard error (stderr) by doxygen. If WARNINGS is set to YES # this implies that the warnings are on. # # Tip: Turn warnings on while writing the documentation. # The default value is: YES. WARNINGS = YES # If the WARN_IF_UNDOCUMENTED tag is set to YES then doxygen will generate # warnings for undocumented members. If EXTRACT_ALL is set to YES then this flag # will automatically be disabled. # The default value is: YES. WARN_IF_UNDOCUMENTED = YES # If the WARN_IF_DOC_ERROR tag is set to YES, doxygen will generate warnings for # potential errors in the documentation, such as not documenting some parameters # in a documented function, or documenting parameters that don't exist or using # markup commands wrongly. # The default value is: YES. WARN_IF_DOC_ERROR = YES # This WARN_NO_PARAMDOC option can be enabled to get warnings for functions that # are documented, but have no documentation for their parameters or return # value. If set to NO, doxygen will only warn about wrong or incomplete # parameter documentation, but not about the absence of documentation. If # EXTRACT_ALL is set to YES then this flag will automatically be disabled. # The default value is: NO. WARN_NO_PARAMDOC = NO # If the WARN_AS_ERROR tag is set to YES then doxygen will immediately stop when # a warning is encountered. If the WARN_AS_ERROR tag is set to FAIL_ON_WARNINGS # then doxygen will continue running as if WARN_AS_ERROR tag is set to NO, but # at the end of the doxygen process doxygen will return with a non-zero status. # Possible values are: NO, YES and FAIL_ON_WARNINGS. # The default value is: NO. WARN_AS_ERROR = NO # The WARN_FORMAT tag determines the format of the warning messages that doxygen # can produce. The string should contain the $file, $line, and $text tags, which # will be replaced by the file and line number from which the warning originated # and the warning text. Optionally the format may contain $version, which will # be replaced by the version of the file (if it could be obtained via # FILE_VERSION_FILTER) # The default value is: $file:$line: $text. WARN_FORMAT = "$file:$line: $text" # The WARN_LOGFILE tag can be used to specify a file to which warning and error # messages should be written. If left blank the output is written to standard # error (stderr). WARN_LOGFILE = #--------------------------------------------------------------------------- # Configuration options related to the input files #--------------------------------------------------------------------------- # The INPUT tag is used to specify the files and/or directories that contain # documented source files. You may enter file names like myfile.cpp or # directories like /usr/src/myproject. Separate the files or directories with # spaces. See also FILE_PATTERNS and EXTENSION_MAPPING # Note: If this tag is empty the current directory is searched. INPUT = @doxygen_source_dirs@ # This tag can be used to specify the character encoding of the source files # that doxygen parses. Internally doxygen uses the UTF-8 encoding. Doxygen uses # libiconv (or the iconv built into libc) for the transcoding. See the libiconv # documentation (see: # https://www.gnu.org/software/libiconv/) for the list of possible encodings. # The default value is: UTF-8. INPUT_ENCODING = UTF-8 # If the value of the INPUT tag contains directories, you can use the # FILE_PATTERNS tag to specify one or more wildcard patterns (like *.cpp and # *.h) to filter out the source-files in the directories. # # Note that for custom extensions or not directly supported extensions you also # need to set EXTENSION_MAPPING for the extension otherwise the files are not # read by doxygen. # # Note the list of default checked file patterns might differ from the list of # default file extension mappings. # # If left blank the following patterns are tested:*.c, *.cc, *.cxx, *.cpp, # *.c++, *.java, *.ii, *.ixx, *.ipp, *.i++, *.inl, *.idl, *.ddl, *.odl, *.h, # *.hh, *.hxx, *.hpp, *.h++, *.cs, *.d, *.php, *.php4, *.php5, *.phtml, *.inc, # *.m, *.markdown, *.md, *.mm, *.dox (to be provided as doxygen C comment), # *.py, *.pyw, *.f90, *.f95, *.f03, *.f08, *.f18, *.f, *.for, *.vhd, *.vhdl, # *.ucf, *.qsf and *.ice. FILE_PATTERNS = *.h \ *.dox # The RECURSIVE tag can be used to specify whether or not subdirectories should # be searched for input files as well. # The default value is: NO. RECURSIVE = YES # The EXCLUDE tag can be used to specify files and/or directories that should be # excluded from the INPUT source files. This way you can easily exclude a # subdirectory from a directory tree whose root is specified with the INPUT tag. # # Note that relative paths are relative to the directory from which doxygen is # run. EXCLUDE = # The EXCLUDE_SYMLINKS tag can be used to select whether or not files or # directories that are symbolic links (a Unix file system feature) are excluded # from the input. # The default value is: NO. EXCLUDE_SYMLINKS = NO # If the value of the INPUT tag contains directories, you can use the # EXCLUDE_PATTERNS tag to specify one or more wildcard patterns to exclude # certain files from those directories. # # Note that the wildcards are matched against the file with absolute path, so to # exclude all test directories for example use the pattern */test/* EXCLUDE_PATTERNS = moc_*.cpp */qtplugins/* # The EXCLUDE_SYMBOLS tag can be used to specify one or more symbol names # (namespaces, classes, functions, etc.) that should be excluded from the # output. The symbol name can be a fully qualified name, a word, or if the # wildcard * is used, a substring. Examples: ANamespace, AClass, # AClass::ANamespace, ANamespace::*Test # # Note that the wildcards are matched against the file with absolute path, so to # exclude all test directories use the pattern */test/* EXCLUDE_SYMBOLS = # The EXAMPLE_PATH tag can be used to specify one or more files or directories # that contain example code fragments that are included (see the \include # command). EXAMPLE_PATH = # If the value of the EXAMPLE_PATH tag contains directories, you can use the # EXAMPLE_PATTERNS tag to specify one or more wildcard pattern (like *.cpp and # *.h) to filter out the source-files in the directories. If left blank all # files are included. EXAMPLE_PATTERNS = # If the EXAMPLE_RECURSIVE tag is set to YES then subdirectories will be # searched for input files to be used with the \include or \dontinclude commands # irrespective of the value of the RECURSIVE tag. # The default value is: NO. EXAMPLE_RECURSIVE = NO # The IMAGE_PATH tag can be used to specify one or more files or directories # that contain images that are to be included in the documentation (see the # \image command). IMAGE_PATH = images # The INPUT_FILTER tag can be used to specify a program that doxygen should # invoke to filter for each input file. Doxygen will invoke the filter program # by executing (via popen()) the command: # # # # where is the value of the INPUT_FILTER tag, and is the # name of an input file. Doxygen will then use the output that the filter # program writes to standard output. If FILTER_PATTERNS is specified, this tag # will be ignored. # # Note that the filter must not add or remove lines; it is applied before the # code is scanned, but not when the output code is generated. If lines are added # or removed, the anchors will not be placed correctly. # # Note that for custom extensions or not directly supported extensions you also # need to set EXTENSION_MAPPING for the extension otherwise the files are not # properly processed by doxygen. INPUT_FILTER = # The FILTER_PATTERNS tag can be used to specify filters on a per file pattern # basis. Doxygen will compare the file name with each pattern and apply the # filter if there is a match. The filters are a list of the form: pattern=filter # (like *.cpp=my_cpp_filter). See INPUT_FILTER for further information on how # filters are used. If the FILTER_PATTERNS tag is empty or if none of the # patterns match the file name, INPUT_FILTER is applied. # # Note that for custom extensions or not directly supported extensions you also # need to set EXTENSION_MAPPING for the extension otherwise the files are not # properly processed by doxygen. FILTER_PATTERNS = # If the FILTER_SOURCE_FILES tag is set to YES, the input filter (if set using # INPUT_FILTER) will also be used to filter the input files that are used for # producing the source files to browse (i.e. when SOURCE_BROWSER is set to YES). # The default value is: NO. FILTER_SOURCE_FILES = NO # The FILTER_SOURCE_PATTERNS tag can be used to specify source filters per file # pattern. A pattern will override the setting for FILTER_PATTERN (if any) and # it is also possible to disable source filtering for a specific pattern using # *.ext= (so without naming a filter). # This tag requires that the tag FILTER_SOURCE_FILES is set to YES. FILTER_SOURCE_PATTERNS = # If the USE_MDFILE_AS_MAINPAGE tag refers to the name of a markdown file that # is part of the input, its contents will be placed on the main page # (index.html). This can be useful if you have a project on for instance GitHub # and want to reuse the introduction page also for the doxygen output. USE_MDFILE_AS_MAINPAGE = #--------------------------------------------------------------------------- # Configuration options related to source browsing #--------------------------------------------------------------------------- # If the SOURCE_BROWSER tag is set to YES then a list of source files will be # generated. Documented entities will be cross-referenced with these sources. # # Note: To get rid of all source code in the generated output, make sure that # also VERBATIM_HEADERS is set to NO. # The default value is: NO. SOURCE_BROWSER = NO # Setting the INLINE_SOURCES tag to YES will include the body of functions, # classes and enums directly into the documentation. # The default value is: NO. INLINE_SOURCES = NO # Setting the STRIP_CODE_COMMENTS tag to YES will instruct doxygen to hide any # special comment blocks from generated source code fragments. Normal C, C++ and # Fortran comments will always remain visible. # The default value is: YES. STRIP_CODE_COMMENTS = YES # If the REFERENCED_BY_RELATION tag is set to YES then for each documented # entity all documented functions referencing it will be listed. # The default value is: NO. REFERENCED_BY_RELATION = NO # If the REFERENCES_RELATION tag is set to YES then for each documented function # all documented entities called/used by that function will be listed. # The default value is: NO. REFERENCES_RELATION = NO # If the REFERENCES_LINK_SOURCE tag is set to YES and SOURCE_BROWSER tag is set # to YES then the hyperlinks from functions in REFERENCES_RELATION and # REFERENCED_BY_RELATION lists will link to the source code. Otherwise they will # link to the documentation. # The default value is: YES. REFERENCES_LINK_SOURCE = YES # If SOURCE_TOOLTIPS is enabled (the default) then hovering a hyperlink in the # source code will show a tooltip with additional information such as prototype, # brief description and links to the definition and documentation. Since this # will make the HTML file larger and loading of large files a bit slower, you # can opt to disable this feature. # The default value is: YES. # This tag requires that the tag SOURCE_BROWSER is set to YES. SOURCE_TOOLTIPS = YES # If the USE_HTAGS tag is set to YES then the references to source code will # point to the HTML generated by the htags(1) tool instead of doxygen built-in # source browser. The htags tool is part of GNU's global source tagging system # (see https://www.gnu.org/software/global/global.html). You will need version # 4.8.6 or higher. # # To use it do the following: # - Install the latest version of global # - Enable SOURCE_BROWSER and USE_HTAGS in the configuration file # - Make sure the INPUT points to the root of the source tree # - Run doxygen as normal # # Doxygen will invoke htags (and that will in turn invoke gtags), so these # tools must be available from the command line (i.e. in the search path). # # The result: instead of the source browser generated by doxygen, the links to # source code will now point to the output of htags. # The default value is: NO. # This tag requires that the tag SOURCE_BROWSER is set to YES. USE_HTAGS = NO # If the VERBATIM_HEADERS tag is set the YES then doxygen will generate a # verbatim copy of the header file for each class for which an include is # specified. Set to NO to disable this. # See also: Section \class. # The default value is: YES. VERBATIM_HEADERS = NO #--------------------------------------------------------------------------- # Configuration options related to the alphabetical class index #--------------------------------------------------------------------------- # If the ALPHABETICAL_INDEX tag is set to YES, an alphabetical index of all # compounds will be generated. Enable this if the project contains a lot of # classes, structs, unions or interfaces. # The default value is: YES. ALPHABETICAL_INDEX = YES # In case all classes in a project start with a common prefix, all classes will # be put under the same header in the alphabetical index. The IGNORE_PREFIX tag # can be used to specify a prefix (or a list of prefixes) that should be ignored # while generating the index headers. # This tag requires that the tag ALPHABETICAL_INDEX is set to YES. IGNORE_PREFIX = #--------------------------------------------------------------------------- # Configuration options related to the HTML output #--------------------------------------------------------------------------- # If the GENERATE_HTML tag is set to YES, doxygen will generate HTML output # The default value is: YES. GENERATE_HTML = YES # The HTML_OUTPUT tag is used to specify where the HTML docs will be put. If a # relative path is entered the value of OUTPUT_DIRECTORY will be put in front of # it. # The default directory is: html. # This tag requires that the tag GENERATE_HTML is set to YES. HTML_OUTPUT = html # The HTML_FILE_EXTENSION tag can be used to specify the file extension for each # generated HTML page (for example: .htm, .php, .asp). # The default value is: .html. # This tag requires that the tag GENERATE_HTML is set to YES. HTML_FILE_EXTENSION = .html # The HTML_HEADER tag can be used to specify a user-defined HTML header file for # each generated HTML page. If the tag is left blank doxygen will generate a # standard header. # # To get valid HTML the header file that includes any scripts and style sheets # that doxygen needs, which is dependent on the configuration options used (e.g. # the setting GENERATE_TREEVIEW). It is highly recommended to start with a # default header using # doxygen -w html new_header.html new_footer.html new_stylesheet.css # YourConfigFile # and then modify the file new_header.html. See also section "Doxygen usage" # for information on how to generate the default header that doxygen normally # uses. # Note: The header is subject to change so you typically have to regenerate the # default header when upgrading to a newer version of doxygen. For a description # of the possible markers and block names see the documentation. # This tag requires that the tag GENERATE_HTML is set to YES. HTML_HEADER = # The HTML_FOOTER tag can be used to specify a user-defined HTML footer for each # generated HTML page. If the tag is left blank doxygen will generate a standard # footer. See HTML_HEADER for more information on how to generate a default # footer and what special commands can be used inside the footer. See also # section "Doxygen usage" for information on how to generate the default footer # that doxygen normally uses. # This tag requires that the tag GENERATE_HTML is set to YES. HTML_FOOTER = # The HTML_STYLESHEET tag can be used to specify a user-defined cascading style # sheet that is used by each HTML page. It can be used to fine-tune the look of # the HTML output. If left blank doxygen will generate a default style sheet. # See also section "Doxygen usage" for information on how to generate the style # sheet that doxygen normally uses. # Note: It is recommended to use HTML_EXTRA_STYLESHEET instead of this tag, as # it is more robust and this tag (HTML_STYLESHEET) will in the future become # obsolete. # This tag requires that the tag GENERATE_HTML is set to YES. HTML_STYLESHEET = # The HTML_EXTRA_STYLESHEET tag can be used to specify additional user-defined # cascading style sheets that are included after the standard style sheets # created by doxygen. Using this option one can overrule certain style aspects. # This is preferred over using HTML_STYLESHEET since it does not replace the # standard style sheet and is therefore more robust against future updates. # Doxygen will copy the style sheet files to the output directory. # Note: The order of the extra style sheet files is of importance (e.g. the last # style sheet in the list overrules the setting of the previous ones in the # list). For an example see the documentation. # This tag requires that the tag GENERATE_HTML is set to YES. HTML_EXTRA_STYLESHEET = # The HTML_EXTRA_FILES tag can be used to specify one or more extra images or # other source files which should be copied to the HTML output directory. Note # that these files will be copied to the base HTML output directory. Use the # $relpath^ marker in the HTML_HEADER and/or HTML_FOOTER files to load these # files. In the HTML_STYLESHEET file, use the file name only. Also note that the # files will be copied as-is; there are no commands or markers available. # This tag requires that the tag GENERATE_HTML is set to YES. HTML_EXTRA_FILES = # The HTML_COLORSTYLE_HUE tag controls the color of the HTML output. Doxygen # will adjust the colors in the style sheet and background images according to # this color. Hue is specified as an angle on a colorwheel, see # https://en.wikipedia.org/wiki/Hue for more information. For instance the value # 0 represents red, 60 is yellow, 120 is green, 180 is cyan, 240 is blue, 300 # purple, and 360 is red again. # Minimum value: 0, maximum value: 359, default value: 220. # This tag requires that the tag GENERATE_HTML is set to YES. HTML_COLORSTYLE_HUE = 220 # The HTML_COLORSTYLE_SAT tag controls the purity (or saturation) of the colors # in the HTML output. For a value of 0 the output will use grayscales only. A # value of 255 will produce the most vivid colors. # Minimum value: 0, maximum value: 255, default value: 100. # This tag requires that the tag GENERATE_HTML is set to YES. HTML_COLORSTYLE_SAT = 100 # The HTML_COLORSTYLE_GAMMA tag controls the gamma correction applied to the # luminance component of the colors in the HTML output. Values below 100 # gradually make the output lighter, whereas values above 100 make the output # darker. The value divided by 100 is the actual gamma applied, so 80 represents # a gamma of 0.8, The value 220 represents a gamma of 2.2, and 100 does not # change the gamma. # Minimum value: 40, maximum value: 240, default value: 80. # This tag requires that the tag GENERATE_HTML is set to YES. HTML_COLORSTYLE_GAMMA = 80 # If the HTML_TIMESTAMP tag is set to YES then the footer of each generated HTML # page will contain the date and time when the page was generated. Setting this # to YES can help to show when doxygen was last run and thus if the # documentation is up to date. # The default value is: NO. # This tag requires that the tag GENERATE_HTML is set to YES. HTML_TIMESTAMP = YES # If the HTML_DYNAMIC_MENUS tag is set to YES then the generated HTML # documentation will contain a main index with vertical navigation menus that # are dynamically created via JavaScript. If disabled, the navigation index will # consists of multiple levels of tabs that are statically embedded in every HTML # page. Disable this option to support browsers that do not have JavaScript, # like the Qt help browser. # The default value is: YES. # This tag requires that the tag GENERATE_HTML is set to YES. HTML_DYNAMIC_MENUS = YES # If the HTML_DYNAMIC_SECTIONS tag is set to YES then the generated HTML # documentation will contain sections that can be hidden and shown after the # page has loaded. # The default value is: NO. # This tag requires that the tag GENERATE_HTML is set to YES. HTML_DYNAMIC_SECTIONS = NO # With HTML_INDEX_NUM_ENTRIES one can control the preferred number of entries # shown in the various tree structured indices initially; the user can expand # and collapse entries dynamically later on. Doxygen will expand the tree to # such a level that at most the specified number of entries are visible (unless # a fully collapsed tree already exceeds this amount). So setting the number of # entries 1 will produce a full collapsed tree by default. 0 is a special value # representing an infinite number of entries and will result in a full expanded # tree by default. # Minimum value: 0, maximum value: 9999, default value: 100. # This tag requires that the tag GENERATE_HTML is set to YES. HTML_INDEX_NUM_ENTRIES = 100 # If the GENERATE_DOCSET tag is set to YES, additional index files will be # generated that can be used as input for Apple's Xcode 3 integrated development # environment (see: # https://developer.apple.com/xcode/), introduced with OSX 10.5 (Leopard). To # create a documentation set, doxygen will generate a Makefile in the HTML # output directory. Running make will produce the docset in that directory and # running make install will install the docset in # ~/Library/Developer/Shared/Documentation/DocSets so that Xcode will find it at # startup. See https://developer.apple.com/library/archive/featuredarticles/Doxy # genXcode/_index.html for more information. # The default value is: NO. # This tag requires that the tag GENERATE_HTML is set to YES. GENERATE_DOCSET = NO # This tag determines the name of the docset feed. A documentation feed provides # an umbrella under which multiple documentation sets from a single provider # (such as a company or product suite) can be grouped. # The default value is: Doxygen generated docs. # This tag requires that the tag GENERATE_DOCSET is set to YES. DOCSET_FEEDNAME = "Doxygen generated docs" # This tag specifies a string that should uniquely identify the documentation # set bundle. This should be a reverse domain-name style string, e.g. # com.mycompany.MyDocSet. Doxygen will append .docset to the name. # The default value is: org.doxygen.Project. # This tag requires that the tag GENERATE_DOCSET is set to YES. DOCSET_BUNDLE_ID = org.doxygen.Project # The DOCSET_PUBLISHER_ID tag specifies a string that should uniquely identify # the documentation publisher. This should be a reverse domain-name style # string, e.g. com.mycompany.MyDocSet.documentation. # The default value is: org.doxygen.Publisher. # This tag requires that the tag GENERATE_DOCSET is set to YES. DOCSET_PUBLISHER_ID = org.doxygen.Publisher # The DOCSET_PUBLISHER_NAME tag identifies the documentation publisher. # The default value is: Publisher. # This tag requires that the tag GENERATE_DOCSET is set to YES. DOCSET_PUBLISHER_NAME = Publisher # If the GENERATE_HTMLHELP tag is set to YES then doxygen generates three # additional HTML index files: index.hhp, index.hhc, and index.hhk. The # index.hhp is a project file that can be read by Microsoft's HTML Help Workshop # (see: # https://www.microsoft.com/en-us/download/details.aspx?id=21138) on Windows. # # The HTML Help Workshop contains a compiler that can convert all HTML output # generated by doxygen into a single compiled HTML file (.chm). Compiled HTML # files are now used as the Windows 98 help format, and will replace the old # Windows help format (.hlp) on all Windows platforms in the future. Compressed # HTML files also contain an index, a table of contents, and you can search for # words in the documentation. The HTML workshop also contains a viewer for # compressed HTML files. # The default value is: NO. # This tag requires that the tag GENERATE_HTML is set to YES. GENERATE_HTMLHELP = NO # The CHM_FILE tag can be used to specify the file name of the resulting .chm # file. You can add a path in front of the file if the result should not be # written to the html output directory. # This tag requires that the tag GENERATE_HTMLHELP is set to YES. CHM_FILE = # The HHC_LOCATION tag can be used to specify the location (absolute path # including file name) of the HTML help compiler (hhc.exe). If non-empty, # doxygen will try to run the HTML help compiler on the generated index.hhp. # The file has to be specified with full path. # This tag requires that the tag GENERATE_HTMLHELP is set to YES. HHC_LOCATION = # The GENERATE_CHI flag controls if a separate .chi index file is generated # (YES) or that it should be included in the main .chm file (NO). # The default value is: NO. # This tag requires that the tag GENERATE_HTMLHELP is set to YES. GENERATE_CHI = NO # The CHM_INDEX_ENCODING is used to encode HtmlHelp index (hhk), content (hhc) # and project file content. # This tag requires that the tag GENERATE_HTMLHELP is set to YES. CHM_INDEX_ENCODING = # The BINARY_TOC flag controls whether a binary table of contents is generated # (YES) or a normal table of contents (NO) in the .chm file. Furthermore it # enables the Previous and Next buttons. # The default value is: NO. # This tag requires that the tag GENERATE_HTMLHELP is set to YES. BINARY_TOC = NO # The TOC_EXPAND flag can be set to YES to add extra items for group members to # the table of contents of the HTML help documentation and to the tree view. # The default value is: NO. # This tag requires that the tag GENERATE_HTMLHELP is set to YES. TOC_EXPAND = NO # If the GENERATE_QHP tag is set to YES and both QHP_NAMESPACE and # QHP_VIRTUAL_FOLDER are set, an additional index file will be generated that # can be used as input for Qt's qhelpgenerator to generate a Qt Compressed Help # (.qch) of the generated HTML documentation. # The default value is: NO. # This tag requires that the tag GENERATE_HTML is set to YES. GENERATE_QHP = NO # If the QHG_LOCATION tag is specified, the QCH_FILE tag can be used to specify # the file name of the resulting .qch file. The path specified is relative to # the HTML output folder. # This tag requires that the tag GENERATE_QHP is set to YES. QCH_FILE = # The QHP_NAMESPACE tag specifies the namespace to use when generating Qt Help # Project output. For more information please see Qt Help Project / Namespace # (see: # https://doc.qt.io/archives/qt-4.8/qthelpproject.html#namespace). # The default value is: org.doxygen.Project. # This tag requires that the tag GENERATE_QHP is set to YES. QHP_NAMESPACE = org.doxygen.Project # The QHP_VIRTUAL_FOLDER tag specifies the namespace to use when generating Qt # Help Project output. For more information please see Qt Help Project / Virtual # Folders (see: # https://doc.qt.io/archives/qt-4.8/qthelpproject.html#virtual-folders). # The default value is: doc. # This tag requires that the tag GENERATE_QHP is set to YES. QHP_VIRTUAL_FOLDER = doc # If the QHP_CUST_FILTER_NAME tag is set, it specifies the name of a custom # filter to add. For more information please see Qt Help Project / Custom # Filters (see: # https://doc.qt.io/archives/qt-4.8/qthelpproject.html#custom-filters). # This tag requires that the tag GENERATE_QHP is set to YES. QHP_CUST_FILTER_NAME = # The QHP_CUST_FILTER_ATTRS tag specifies the list of the attributes of the # custom filter to add. For more information please see Qt Help Project / Custom # Filters (see: # https://doc.qt.io/archives/qt-4.8/qthelpproject.html#custom-filters). # This tag requires that the tag GENERATE_QHP is set to YES. QHP_CUST_FILTER_ATTRS = # The QHP_SECT_FILTER_ATTRS tag specifies the list of the attributes this # project's filter section matches. Qt Help Project / Filter Attributes (see: # https://doc.qt.io/archives/qt-4.8/qthelpproject.html#filter-attributes). # This tag requires that the tag GENERATE_QHP is set to YES. QHP_SECT_FILTER_ATTRS = # The QHG_LOCATION tag can be used to specify the location (absolute path # including file name) of Qt's qhelpgenerator. If non-empty doxygen will try to # run qhelpgenerator on the generated .qhp file. # This tag requires that the tag GENERATE_QHP is set to YES. QHG_LOCATION = # If the GENERATE_ECLIPSEHELP tag is set to YES, additional index files will be # generated, together with the HTML files, they form an Eclipse help plugin. To # install this plugin and make it available under the help contents menu in # Eclipse, the contents of the directory containing the HTML and XML files needs # to be copied into the plugins directory of eclipse. The name of the directory # within the plugins directory should be the same as the ECLIPSE_DOC_ID value. # After copying Eclipse needs to be restarted before the help appears. # The default value is: NO. # This tag requires that the tag GENERATE_HTML is set to YES. GENERATE_ECLIPSEHELP = NO # A unique identifier for the Eclipse help plugin. When installing the plugin # the directory name containing the HTML and XML files should also have this # name. Each documentation set should have its own identifier. # The default value is: org.doxygen.Project. # This tag requires that the tag GENERATE_ECLIPSEHELP is set to YES. ECLIPSE_DOC_ID = org.doxygen.Project # If you want full control over the layout of the generated HTML pages it might # be necessary to disable the index and replace it with your own. The # DISABLE_INDEX tag can be used to turn on/off the condensed index (tabs) at top # of each HTML page. A value of NO enables the index and the value YES disables # it. Since the tabs in the index contain the same information as the navigation # tree, you can set this option to YES if you also set GENERATE_TREEVIEW to YES. # The default value is: NO. # This tag requires that the tag GENERATE_HTML is set to YES. DISABLE_INDEX = NO # The GENERATE_TREEVIEW tag is used to specify whether a tree-like index # structure should be generated to display hierarchical information. If the tag # value is set to YES, a side panel will be generated containing a tree-like # index structure (just like the one that is generated for HTML Help). For this # to work a browser that supports JavaScript, DHTML, CSS and frames is required # (i.e. any modern browser). Windows users are probably better off using the # HTML help feature. Via custom style sheets (see HTML_EXTRA_STYLESHEET) one can # further fine-tune the look of the index. As an example, the default style # sheet generated by doxygen has an example that shows how to put an image at # the root of the tree instead of the PROJECT_NAME. Since the tree basically has # the same information as the tab index, you could consider setting # DISABLE_INDEX to YES when enabling this option. # The default value is: NO. # This tag requires that the tag GENERATE_HTML is set to YES. GENERATE_TREEVIEW = NO # The ENUM_VALUES_PER_LINE tag can be used to set the number of enum values that # doxygen will group on one line in the generated HTML documentation. # # Note that a value of 0 will completely suppress the enum values from appearing # in the overview section. # Minimum value: 0, maximum value: 20, default value: 4. # This tag requires that the tag GENERATE_HTML is set to YES. ENUM_VALUES_PER_LINE = 1 # If the treeview is enabled (see GENERATE_TREEVIEW) then this tag can be used # to set the initial width (in pixels) of the frame in which the tree is shown. # Minimum value: 0, maximum value: 1500, default value: 250. # This tag requires that the tag GENERATE_HTML is set to YES. TREEVIEW_WIDTH = 250 # If the EXT_LINKS_IN_WINDOW option is set to YES, doxygen will open links to # external symbols imported via tag files in a separate window. # The default value is: NO. # This tag requires that the tag GENERATE_HTML is set to YES. EXT_LINKS_IN_WINDOW = NO # If the HTML_FORMULA_FORMAT option is set to svg, doxygen will use the pdf2svg # tool (see https://github.com/dawbarton/pdf2svg) or inkscape (see # https://inkscape.org) to generate formulas as SVG images instead of PNGs for # the HTML output. These images will generally look nicer at scaled resolutions. # Possible values are: png (the default) and svg (looks nicer but requires the # pdf2svg or inkscape tool). # The default value is: png. # This tag requires that the tag GENERATE_HTML is set to YES. HTML_FORMULA_FORMAT = png # Use this tag to change the font size of LaTeX formulas included as images in # the HTML documentation. When you change the font size after a successful # doxygen run you need to manually remove any form_*.png images from the HTML # output directory to force them to be regenerated. # Minimum value: 8, maximum value: 50, default value: 10. # This tag requires that the tag GENERATE_HTML is set to YES. FORMULA_FONTSIZE = 14 # Use the FORMULA_TRANSPARENT tag to determine whether or not the images # generated for formulas are transparent PNGs. Transparent PNGs are not # supported properly for IE 6.0, but are supported on all modern browsers. # # Note that when changing this option you need to delete any form_*.png files in # the HTML output directory before the changes have effect. # The default value is: YES. # This tag requires that the tag GENERATE_HTML is set to YES. FORMULA_TRANSPARENT = YES # The FORMULA_MACROFILE can contain LaTeX \newcommand and \renewcommand commands # to create new LaTeX commands to be used in formulas as building blocks. See # the section "Including formulas" for details. FORMULA_MACROFILE = # Enable the USE_MATHJAX option to render LaTeX formulas using MathJax (see # https://www.mathjax.org) which uses client side JavaScript for the rendering # instead of using pre-rendered bitmaps. Use this if you do not have LaTeX # installed or if you want to formulas look prettier in the HTML output. When # enabled you may also need to install MathJax separately and configure the path # to it using the MATHJAX_RELPATH option. # The default value is: NO. # This tag requires that the tag GENERATE_HTML is set to YES. USE_MATHJAX = YES # When MathJax is enabled you can set the default output format to be used for # the MathJax output. See the MathJax site (see: # http://docs.mathjax.org/en/v2.7-latest/output.html) for more details. # Possible values are: HTML-CSS (which is slower, but has the best # compatibility), NativeMML (i.e. MathML) and SVG. # The default value is: HTML-CSS. # This tag requires that the tag USE_MATHJAX is set to YES. MATHJAX_FORMAT = HTML-CSS # When MathJax is enabled you need to specify the location relative to the HTML # output directory using the MATHJAX_RELPATH option. The destination directory # should contain the MathJax.js script. For instance, if the mathjax directory # is located at the same level as the HTML output directory, then # MATHJAX_RELPATH should be ../mathjax. The default value points to the MathJax # Content Delivery Network so you can quickly see the result without installing # MathJax. However, it is strongly recommended to install a local copy of # MathJax from https://www.mathjax.org before deployment. # The default value is: https://cdn.jsdelivr.net/npm/mathjax@2. # This tag requires that the tag USE_MATHJAX is set to YES. MATHJAX_RELPATH = https://cdn.jsdelivr.net/npm/mathjax@2 # The MATHJAX_EXTENSIONS tag can be used to specify one or more MathJax # extension names that should be enabled during MathJax rendering. For example # MATHJAX_EXTENSIONS = TeX/AMSmath TeX/AMSsymbols # This tag requires that the tag USE_MATHJAX is set to YES. MATHJAX_EXTENSIONS = # The MATHJAX_CODEFILE tag can be used to specify a file with javascript pieces # of code that will be used on startup of the MathJax code. See the MathJax site # (see: # http://docs.mathjax.org/en/v2.7-latest/output.html) for more details. For an # example see the documentation. # This tag requires that the tag USE_MATHJAX is set to YES. MATHJAX_CODEFILE = # When the SEARCHENGINE tag is enabled doxygen will generate a search box for # the HTML output. The underlying search engine uses javascript and DHTML and # should work on any modern browser. Note that when using HTML help # (GENERATE_HTMLHELP), Qt help (GENERATE_QHP), or docsets (GENERATE_DOCSET) # there is already a search function so this one should typically be disabled. # For large projects the javascript based search engine can be slow, then # enabling SERVER_BASED_SEARCH may provide a better solution. It is possible to # search using the keyboard; to jump to the search box use + S # (what the is depends on the OS and browser, but it is typically # , / Open Chemistry project. Please see the development guide if you would like to contribute to the project. Some key resources include: - Wiki : http://wiki.openchemistry.org/ - Bug tracker : http://projects.openchemistry.org/ - Dashboard : http://cdash.openchemistry.org/index.php?project=AvogadroLibs - Mailing lists: http://www.openchemistry.org/OpenChemistry/help/mailing.html */ } avogadrolibs-1.100.0/i18n/000077500000000000000000000000001474375334400151225ustar00rootroot00000000000000avogadrolibs-1.100.0/i18n/af.po000066400000000000000000007052011474375334400160550ustar00rootroot00000000000000# Translations for the Avogadro molecular builder. # Copyright (C) 2006-2018 The Avogadro Project # This file is distributed under the same license as the Avogadro package. # Lihan Zhu , 2021. # Danial K , 2021. # Dillon Schultz , 2021. # Nathan , 2021. # Eisuke Kawashima , 2024. msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2024-08-31 05:09+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Afrikaans \n" "Language: af\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.7.1-dev\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" avogadrolibs-1.100.0/i18n/ar.po000066400000000000000000007444031474375334400161000ustar00rootroot00000000000000# Arabic translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Lihan Zhu , 2021. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-16 14:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Arabic \n" "Language: ar\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=6; plural=n==0 ? 0 : n==1 ? 1 : n==2 ? 2 : n%100>=3 " "&& n%100<=10 ? 3 : n%100>=11 ? 4 : 5;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "أكمل" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "غير معروف" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "هيدروجين" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "هيليوم" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "ليثيوم" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "بريليوم" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "بورون" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "كربون" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "نيتروجين" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "أكسجين" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "فلور" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "نيون" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "صوديوم" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "منجنيزوم" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "ألومنيوم" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "سليكون" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "فوسفور" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "كبريت" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "كلور" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "أرجون" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "بوتاسيوم" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "كالسيوم" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "سكانديوم" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "تيتانيوم" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "فانيديوم" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "كروم" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "منجنيز" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "حديد" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "كوبالت" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "نيكال" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "نحاس" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "زنك" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "جاليوم" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "جرمانيوم" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "زرنيخ" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "سيلينيوم" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "بروم" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "كريبتون" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "روبيديوم" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "سترونتيوم" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "يتريوم" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "زركونيوم" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "نيوبيوم" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "مولبيدن" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "تكنيتيوم" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "ئروثينيوم" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "روديوم" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "بلاديوم" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "فضة" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "كاديوم" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "إنديوم" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "قصدير" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "أنتيمون" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "تيلوريوم" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "يود" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "إكزينون" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "سيزيوم" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "باريوم" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "لانثانوم" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "سيريوم" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "براسيوديميوم" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "نيوديميوم" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "بروميثيوم" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "ساماريوم" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "يوروبيوم" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "جادولينيوم" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "تريبيوم" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "ديسبروسيوم" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "هولميوم" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "إريبيوم" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "ثوليوم" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "يتربيوم" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "لوتيسيوم" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "هفنيوم" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "تانتالم" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "تنجستن" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "رينيوم" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "أوزميوم" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "إريديوم" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "بلاتين" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "ذهب" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "زئبق" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "ثاليوم" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "رصاص" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "بزموث" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "بولونيوم" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "أستاتين" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "رادون" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "فرانسيوم" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "راديوم" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "أكتينيوم" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "ثوريوم" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "بروتكتتينيوم" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "يورانيوم" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "نبتونيوم" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "بولتونيوم" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "أمريكيوم" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "كوريوم" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "بركليوم" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "كالفورنيوم" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "أينشتانيوم" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "فرميوم" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "مندليفيوم" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "نوبليوم" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "لورنسيوم" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "رذرفورديوم" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "دبنيوم" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "سيبورجيوم" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "بوريوم" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "هاسيوم" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "مايتنريوم" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "دارمشتانيوم" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "روينتجينيوم" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "الكوبرنيسيوم" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "نيهونيوم" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "الفليروفيوم" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "موسكوفيوم" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "ليفرموريوم" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "تينيسين" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "أوغانيسون" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "كل الملفّات" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "العنوان" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "اﻷساس" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "الكرة والعصا" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "كرتون" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "أوقف" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "تسمية" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "شبكة" #: qtgui/moleculemodel.cpp:92 #, fuzzy msgid "Untitled" msgstr "بلا عنوان" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "الجدول الدوري" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:335 #, fuzzy msgid "Set Bond Orders" msgstr "ترتيب الرابطة" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 #, fuzzy #| msgid "&UV Settings" msgid "Settings" msgstr "&إعدادات الأشعة فوق البنفسجية" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&ملف" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 #, fuzzy msgid "&Export" msgstr "صدِّر" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&بناء" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "عنصر" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "حاذي" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 #, fuzzy #| msgid "X Axis" msgid "Axis:" msgstr "محور" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, fuzzy msgid "IO Error" msgstr "خطأ" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "خطأ" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "نجاح!" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "لون مخصص:" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "عنصر" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy msgid "By Partial Charge…" msgstr "لون عن طريق الشحن الجزئي" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 #, fuzzy #| msgid "Spectra" msgctxt "colormap" msgid "Spectral" msgstr "طيف" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&اعرض" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 #, fuzzy msgid "Color Residues" msgstr "تلوين حسب لون الرواسب" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 #, fuzzy msgid "ApplyColors" msgstr "طبّق" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 #, fuzzy msgid "Show hydrogens" msgstr "الهيدروجين" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 #, fuzzy msgid "Bond Selected Atoms" msgstr "ا&ختر" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "رباط" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "شريط" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "كرتون" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "كرتون" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 #, fuzzy msgid "Maximum distance:" msgstr "المسافة" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "الإضافات" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "اسم العنصر" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 #, fuzzy msgid "Invalid element symbol." msgstr "اسم الملف عير صالح" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "اسم العنصر" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 #, fuzzy msgid "Invalid atom label." msgstr "اسم الملف عير صالح" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "الطاقة" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "رسم" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "المسافة" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "مفرد" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "مضاعف" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "ثلاثي" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 #, fuzzy msgid "&Import" msgstr "استيراد" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy msgid "Freeze Selected Atoms" msgstr "ا&ختر" #: qtplugins/forcefield/forcefield.cpp:115 #, fuzzy msgid "Unfreeze Selected Atoms" msgstr "ا&ختر" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "أفوقادرو" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "الطاقة = %L1 %2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "مفرد" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "غاز" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "ماء" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "محايد" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "إضافة الهيدروجين" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "إضافة الهيدروجين" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "إزالة الهيدروجين" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "الهيدروجين" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "الهيدروجين" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&إدراج" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy #| msgid "&Insert" msgid "Insert DNA/RNA…" msgstr "&إدراج" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy #| msgid "&Insert" msgid "InsertDNA" msgstr "&إدراج" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:170 #, fuzzy msgid "Distance from center:" msgstr "المسافة" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "عنصر" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 #, fuzzy msgid "Atom Label:" msgstr "تسمية" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 #, fuzzy msgid "No descriptors found!" msgstr "لا يوجد وصف" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "قياس" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "زاوية" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 #, fuzzy msgid "&Analysis" msgstr "تحليلي" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&خصائص" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 #, fuzzy msgid "Molecule Properties" msgstr "خصائص الزاوية..." #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 #, fuzzy msgid "Export CSV" msgstr "صدِّر" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy msgid "Export…" msgstr "صدِّر" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 #, fuzzy #| msgid "°" msgid " °" msgstr "°" #: qtplugins/noncovalent/noncovalent.cpp:368 #, fuzzy msgid "Angle tolerance:" msgstr "خصائص الزاوية..." #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "إضافة الهيدروجين لــpH" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "إزالة الهيدروجين" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "إضافة الهيدروجين" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "إضافة الهيدروجين لــpH" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "إزالة الهيدروجين" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "أوقف" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "ملفات الافلام )*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 #, fuzzy msgid "Save File" msgstr "حفظ ملف الفيديو" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "التكافؤ" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "طبّق" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "ذرة" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "النوع" #: qtplugins/propertytables/propertymodel.cpp:531 #, fuzzy msgid "Start Atom" msgstr "بدء &الرسوم المتحركة" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "نهاية الذرة" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "ترتيب الرابطة" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "ذرة %1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "ذرة" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "زاوية" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "ذرة" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "ذرة" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "خصائص الذرة" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "خصائص الروابط" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy msgid "Angle Properties…" msgstr "خصائص الزاوية..." #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "خصائص" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "خصائص الذرة" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "خصائص الروابط" #: qtplugins/propertytables/propertyview.cpp:50 #, fuzzy msgid "Angle Properties" msgstr "خصائص الزاوية..." #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "إعادة تعيين" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 #, fuzzy msgid "Select by Element…" msgstr "عنصر" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "ا&ختر" #: qtplugins/select/select.cpp:180 #, fuzzy msgid "Select Element" msgstr "عنصر" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 #, fuzzy msgid "Select Atom" msgstr "ا&ختر" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy msgid "Select Residue" msgstr "تلوين حسب لون الرواسب" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "ا&ختر" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 #, fuzzy msgid "Paint Atoms" msgstr "بدء &الرسوم المتحركة" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "أفوقادرو" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgid "Spectra" msgid "Spectra" msgstr "طيف" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "الأشعة تحت الحمراء" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "حدد اللون الأمامي" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 #, fuzzy msgid "Vibrational Spectra" msgstr "الاهتزازات" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 #, fuzzy #| msgid "Spectra" msgid "NMR Spectra" msgstr "طيف" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 #, fuzzy #| msgid "Energy" msgid "Energy (eV)" msgstr "الطاقة" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "مداري" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "المدارات الجزيئية..." #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Surfaces" msgid "Create Surfaces…" msgstr "أسطح" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 #, fuzzy msgid "Calculating electron density" msgstr "كثافة الإلكترون" #: qtplugins/surfaces/surfaces.cpp:595 #, fuzzy msgid "Calculating spin density" msgstr "كثافة الإلكترون" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "أسطح" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, fuzzy, qt-format msgid "Group %1" msgstr "اسم المجموعة" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "إهتزاز" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "نجاح!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "لون عن طريق الشحن الجزئي" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "طبّق" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "حفظ ملف الفيديو" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "المنهج:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "مع :" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "اسم" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "مفرد" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "مضاعف" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) #, fuzzy #| msgid "Method:" msgid "Method" msgstr "المنهج" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "الطول الموجي" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Width:" msgid "Peak Width:" msgstr "العرض:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&مظهر" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) #, fuzzy msgid "&Import..." msgstr "استيراد" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #, fuzzy #| msgid "Select Background Color" msgid "Set Color..." msgstr "اختر لون الخلفية" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy #| msgid "Import Spectra" msgid "Imported Spectra:" msgstr "استيراد الأطياف" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) #, fuzzy msgid "&Export..." msgstr "صدِّر" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) #, fuzzy msgid "Export Data" msgstr "صدِّر" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&أغلق" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) #, fuzzy #| msgid "No data" msgid "&Load data..." msgstr "لاتوجد بيانات" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " (" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "اضاءه" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "النوع" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "اسم المجموعة" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "اسم المجموعة" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #, fuzzy msgid "Start Animation" msgstr "بدء &الرسوم المتحركة" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) #, fuzzy msgid "Stop Animation" msgstr "إيقاف الرسوم المتحركة" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,AtomCell,عبد الله شلي (Abdellah Chelli), ," "Launchpad Contributions:,AtomCell,TheLight,عبد الله شلي (Abdellah Chelli), ," "Launchpad Contributions:,TheLight, ,Launchpad Contributions:,Nizar Kerkeni," "TheLight, ,Launchpad Contributions:,Nizar Kerkeni,TheLight, ,Launchpad " "Contributions:,Nizar Kerkeni,TheLight, ,Launchpad Contributions:,Nizar " "Kerkeni,TheLight, ,Launchpad Contributions:,Nizar Kerkeni,TheLight, ," "Launchpad Contributions:,Hsn,Nizar Kerkeni,TheLight,منصور اليوسف, ,Launchpad " "Contributions:,Avogadro Team,Hsn,Nizar Kerkeni,TheLight,منصور اليوسف, ," "Launchpad Contributions:,Avogadro Team,Hsn,Nizar Kerkeni,TheLight,منصور " "اليوسف, ,Launchpad Contributions:,Avogadro Team,Hsn,Nizar Kerkeni,TheLight," "منصور اليوسف, ,Launchpad Contributions:,Avogadro Team,Hsn,Nizar Kerkeni," "TheLight,mohamed gamal,منصور اليوسف, ,Launchpad Contributions:,Avogadro Team," "Hsn,Nizar Kerkeni,TheLight,mohamed gamal,منصور اليوسف" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,shelhatem@gmail.com,sneetsher@gmail.com,,,shelhatem@gmail.com,houd." "ox@gmail.com,sneetsher@gmail.com,,,houd.ox@gmail.com,,,nizarus@nizarus.org," "houd.ox@gmail.com,,,nizarus@nizarus.org,houd.ox@gmail.com,,,nizarus@nizarus." "org,houd.ox@gmail.com,,,nizarus@nizarus.org,,,,nizarus@nizarus.org,,,,hh-" "shwaf@hotmail.com,nizarus@nizarus.org,,,,,avogadro-devel@lists.sourceforge." "net,hh.alshawaf@gmail.com,nizarus@nizarus.org,,,,,avogadro-devel@lists." "sourceforge.net,hh.alshawaf@gmail.com,nizarus@nizarus.org,,,,,avogadro-" "devel@lists.sourceforge.net,hh.alshawaf@gmail.com,nizarus@nizarus.tn,,,,," "avogadro-devel@lists.sourceforge.net,hh.alshawaf@gmail.com,nizarus@nizarus." "tn,,mohamedgamal8090@gmail.com,,,,avogadro-devel@lists.sourceforge.net,hh." "alshawaf@gmail.com,nizarus@nizarus.tn,,mohamedgamal8090@gmail.com," #, fuzzy #~ msgid "Partial Charge" #~ msgstr "لون عن طريق الشحن الجزئي" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "تأثيرات متحركة" #, fuzzy #~ msgid "By Distance" #~ msgstr "المسافة" #, fuzzy #~ msgid "Select Water…" #~ msgstr "عنصر" #, fuzzy #~ msgid "Molecule Name:" #~ msgstr "المدارات الجزيئية..." #, fuzzy #~ msgid "Filename" #~ msgstr "اسم الملف عير صالح" #~ msgid "OK" #~ msgstr "موافق" #~ msgid "Cancel" #~ msgstr "إلغي" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "اسم العنصر" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "كافة الملفات" #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "إضافة الهيدروجين لدرجة الحموضةPH ..." #~ msgid "Atom Properties..." #~ msgstr "خصائص الذرة..." #~ msgid "Bond Properties..." #~ msgstr "خصائص الروابط..." #, fuzzy #~ msgid "Angle Properties..." #~ msgstr "خصائص الزاوية..." #, fuzzy #~ msgid "Torsion Properties..." #~ msgstr "خصائص الروابط" #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "خصائص الروابط..." #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "المسافة" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "زاوية" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "الطاقة (eV)" #~ msgid "Yes" #~ msgstr "نعم" #~ msgid "No" #~ msgstr "لا" #, fuzzy #~ msgid "Import" #~ msgstr "استيراد" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "إضافة الهيدروجين" #, fuzzy #~ msgid "Stopped" #~ msgstr "أوقف" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "أسطح" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "لون عن طريق الفهرس (الأحمر ، البرتقالي ، الأصفر ، الأخضر ، الأزرق ، " #~ "البنفسجي)." #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "اللون عن طريق الشحن الجزئي الذري (أزرق = إيجابي، أحمر = سلبي." #~ msgid "Set custom colors for objects" #~ msgstr "مجموعة الألوان المخصصة للكائنات" #~ msgid "Color by Distance" #~ msgstr "التلوين بالمسافة" #~ msgid "Color by distance from the first atom." #~ msgstr "التلوين بالمسافة عن اول ذرة" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "التلوين بالعناصر (الكربون = رمادي ، والأكسجين = الأحمر ،...)." #~ msgid "SMARTS Pattern:" #~ msgstr "الأنماط الذكية:" #~ msgid "Highlight Color:" #~ msgstr "تسليط الضوء على اللون :" #~ msgid "Color by SMARTS Pattern" #~ msgstr "اللون عن طريق الأنماط الذكية" #~ msgid "Ununtrium" #~ msgstr "أنون-تريوم" #~ msgid "Ununpentium" #~ msgstr "أنون-بينتيوم" #~ msgid "Ununseptium" #~ msgstr "أنون-سيبتيوم" #~ msgid "Ununoctium" #~ msgstr "أنون-أوكتيوم" #~ msgid "Engines" #~ msgstr "المحركات" #~ msgid "Axes" #~ msgstr "المحاور" #~ msgid "Hydrogen Bond" #~ msgstr "رابطة هيدروجينية" #~ msgid "Renders hydrogen bonds" #~ msgstr "تكوين الروابط الهدروجينية" #~ msgid "Select Atom Labels Color" #~ msgstr "اختيار الوان أسماء الذرات" #~ msgid "Select Bond Labels Color" #~ msgstr "اختيار الوان أسماء الروابط" #~ msgid "Select Bond Labels Font" #~ msgstr "اختيار خط اسماء الروابط" #~ msgid "Polygon" #~ msgstr "مضلّع" #~ msgid "Ring" #~ msgstr "حلقة" #~ msgid "Simple Wireframe" #~ msgstr "شبكة بسيطة" #~ msgid "Stick" #~ msgstr "الصق" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Animation..." #~ msgstr "الرسوم المتحركة..." #~ msgid "Read trajectory file %1 failed." #~ msgstr "قراءة مسار الملف %1 فشل." #~ msgid "Must specify a valid .avi file name" #~ msgstr "يجب تحديد اسم ملف avi. صحيح" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "اسم ملف فيديو غيرصحيح. يجب ادخال مسار الملف بالكامل" #~ msgid "Open chemical file format" #~ msgstr "فتح ملف التنسيق الكيميائية" #~ msgid "Chemical files (*.xyz)" #~ msgstr "الملفات الكيميائية (*.xyz)" #~ msgid "Add or remove hydrogens" #~ msgstr "إضافة أو إزالة الهيدروجين" #~ msgid "Show Preview" #~ msgstr "عرض المعاينة" #~ msgid "Hide Preview" #~ msgstr "إخفاء المعاينة" #~ msgid "Delete" #~ msgstr "احذف" #~ msgid "You must make a selection!" #~ msgstr "يجب ان تقوم بالاختيار!" #~ msgid "Advanced Settings Reset" #~ msgstr "إعادة تعيين الإعدادات المتقدمة" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "هل أنت متأكد تريد إعادة تعيين الإعدادات المتقدمة؟\n" #~ "سيتم فقدان كافة التغييرات!" #~ msgid "Basic Settings Reset" #~ msgstr "إعادة تعيين الإعدادات الأساسية" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "هل أنت متأكد تريد إعادة تعيين الإعدادات الأساسية ؟\n" #~ "سيتم فقدان كافة التغييرات!" #~ msgid "&Dalton..." #~ msgstr "&دالتون..." #~ msgid "There is already a selection with this name." #~ msgstr "هناك بالفعل مجموعة بهذا الاسم." #~ msgid "Transmittance (%)" #~ msgstr "النفاذية (%)" #~ msgid "Absorbance (%)" #~ msgstr "الامتصاصية (%)" #~ msgid "Activity" #~ msgstr "النشاط" #~ msgid "Y Axis" #~ msgstr "محورY" #~ msgid "&Infrared Spectra Settings" #~ msgstr "&إعدادات أطياف الأشعة تحت الحمراء" #~ msgid "Dark" #~ msgstr "غامق" #~ msgid "Publication" #~ msgstr "منشور" #~ msgid "New Scheme" #~ msgstr "مخطط جديد" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Data Format" #~ msgstr "تنسيق البيانات" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Save Spectra Image" #~ msgstr "حفظ صورة الأطياف" #~ msgid "&Advanced <<" #~ msgstr "&متقدم <<" #~ msgid "&Advanced >>" #~ msgstr "&متقدم >>" #~ msgid "&Spectra..." #~ msgstr "&أطياف..." #~ msgid "Vibrational Analysis" #~ msgstr "تحليل الاهتزازات" #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "تصور وسائط الذبذبات من الحسابات كيمياء الكم" #~ msgid "Pause" #~ msgstr "قف مؤقتاً" #~ msgid "Orbitals" #~ msgstr "المدارات" #~ msgid "Building video " #~ msgstr "بناء الفيديو " #~ msgid "Connect" #~ msgstr "اتصل" #~ msgid "Disconnect" #~ msgstr "اقطع الاتصال" #~ msgid "Debug Information" #~ msgstr "معلومات تصحيح الأخطاء" #~ msgid "Tools" #~ msgstr "أدوات" #~ msgid "Align:" #~ msgstr "المحاذاة:" #~ msgid "Everything" #~ msgstr "كل شئ" #~ msgid "Algorithm:" #~ msgstr "الخوارزمية:" #~ msgid "Start" #~ msgstr "بدء" #~ msgid "Positive" #~ msgstr "موجب" #~ msgid "Negative" #~ msgstr "سالب" #~ msgid "0/0" #~ msgstr "0/0" #~ msgid "Load" #~ msgstr "تحميل" #~ msgid "All" #~ msgstr "الجميع" #~ msgid "Algorithm" #~ msgstr "الخوارزمية" #~ msgid "Advanced" #~ msgstr "متطور" #~ msgid "Grid" #~ msgstr "شبكة" #~ msgid "System" #~ msgstr "نظام" #~ msgid "Misc" #~ msgstr "متفرقات" #~ msgid "Read" #~ msgstr "إقرأ" #~ msgid "Check" #~ msgstr "فحص" #~ msgid "Debug" #~ msgstr "نقّح" #~ msgid "Minutes" #~ msgstr "دقائق" #~ msgid "Hours" #~ msgstr "ساعات" #~ msgid "Days" #~ msgstr "أيّام" #~ msgid "Weeks" #~ msgstr "أسابيع" #~ msgid "Years" #~ msgstr "سنوات" #~ msgid "Memory:" #~ msgstr "الذاكرة:" #~ msgid "Skip" #~ msgstr "تخطّي" #~ msgid "Numeric" #~ msgstr "رقمي" avogadrolibs-1.100.0/i18n/avogadrolibs.pot000066400000000000000000007046001474375334400203310ustar00rootroot00000000000000# Translations for the Avogadro molecular builder. # Copyright (C) 2006-2024 The Avogadro Project # This file is distributed under the same license as the Avogadro package. # FIRST AUTHOR , YEAR. # #, fuzzy msgid "" msgstr "" "Project-Id-Version: Avogadro 1.99.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: YEAR-MO-DA HO:MI+ZONE\n" "Last-Translator: FULL NAME \n" "Language-Team: LANGUAGE \n" "Language: \n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=INTEGER; plural=EXPRESSION;\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34 :1959 msgid "Carbon" msgstr "" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94 :1962 msgid "Iron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97 :1965 msgid "Cobalt" msgstr "" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208 :691 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263 :1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115 :484 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74 :478 rc.cpp:1953 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79 :1691 msgid "Axis:" msgstr "" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30 :96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178 :156 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780 :183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782 :180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784 :174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786 :177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788 :186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 :171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125 :222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351 :201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32 :225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429 :2097 msgid "Other…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213 :1854 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300 :277 msgid "Copy" msgstr "" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33 :274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34 :286 msgid "Clear" msgstr "" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80 :1184 msgid "Energy" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397 :744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365 :1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208 :1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167 :637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123 :1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117 :379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223 :1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75 :1631 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497 :1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069 :1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118 :1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144 :1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27 :1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30 :1926 msgid "Select" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68 :1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36 :1646 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655 :1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34 :1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" avogadrolibs-1.100.0/i18n/bg.po000066400000000000000000007451621474375334400160710ustar00rootroot00000000000000# Bulgarian translation for avogadro # Copyright (c) 2009 Rosetta Contributors and Canonical Ltd 2009 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2009. # Apostol Penkov , 2020. # Salif Mehmed , 2023. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-15 13:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Bulgarian \n" "Language: bg\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Неизвестен" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Водород" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Хелий" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Литий" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Берилий" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Бор" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Въглерод" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Азот" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Кислород" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Флуор" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Неон" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Натрий" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Магнезий" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Алуминий" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Силиций" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Фосфор" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Сяра" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Хлор" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Аргон" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Калий" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Калций" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Скандий" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Титан" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Ванадий" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Хром" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Манган" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Желязо" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Кобалт" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Никел" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Мед" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Цинк" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Галий" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Германий" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Арсен" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Селен" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Бром" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Криптон" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Рубидий" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Стронций" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Итрий" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Цирконий" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Ниобий" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Молибден" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Технеций" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Рутений" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Родий" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Паладий" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Сребро" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Кадмий" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Индий" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Калай" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Антимон" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Телурий" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Йод" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Ксенон" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Цезий" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Барий" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Лантан" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Церий" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Празводим" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Неодим" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Прометий" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Самарий" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Европий" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Гадолиний" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Тербий" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Диспросий" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Холмий" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Ербий" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Тулий" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Итербий" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Лутеций" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Хафний" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Тантал" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Волфрам" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Рений" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Осмий" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Иридий" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Платина" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Злато" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Живак" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Талий" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Олово" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Бисмут" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Полоний" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Астат" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Радон" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Франций" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Радий" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Актиний" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Торий" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Протактиний" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Уран" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Нептуний" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Плутоний" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Америций" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Кюрий" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Берклий" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Калифорний" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Айнщайний" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Фермий" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Менделевий" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Нобелий" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Лоуренсий" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Рутерфордий" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Дъбний" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Сиборгий" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Бохрий" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Хасий" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Метерий" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Дармщадий" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Рентгий" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Коперниций" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Нихоний" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Флеровий" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Московий" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Ливерморий" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Тенесин" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Оганесон" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Всички файлове" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Име" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Анимационна" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Сила" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Етикет" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 #, fuzzy msgid "Van der Waals" msgstr "Van der Waal" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Контури" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "Без заглавие" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:335 #, fuzzy msgid "Set Bond Orders" msgstr "Ред на връзките" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 #, fuzzy msgid "Build Super Cell" msgstr "Супер клетка" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Файл" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 #, fuzzy msgid "&Export" msgstr "Изнасяне" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Изграждане" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 #, fuzzy #| msgid "X Axis" msgid "Axis:" msgstr "Ос:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, fuzzy msgid "IO Error" msgstr "Грешка" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Грешка" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "Успех" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "Потребителски цвят…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "Елемент" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy msgid "By Partial Charge…" msgstr "по частичен заряд…" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 #, fuzzy #| msgid "Spectra" msgctxt "colormap" msgid "Spectral" msgstr "Спектри" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Изглед" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "Ред на връзките" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 #, fuzzy msgid "Perceive bond orders." msgstr "Ред на връзките" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Анимационна" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Анимационна" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 #, fuzzy msgid "Maximum distance:" msgstr "Максимално разстояние:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "Разширения" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "Скриптове" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Проблем с четенето на файла с траектория '%1':\n" "%2" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Прекалено малко записи на линията." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Грешка при прикагане на геометрията" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "Копирай" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Енергия" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 #, fuzzy msgid "Geometry Optimization" msgstr "Геометрична оптимизация" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 #, fuzzy msgid "Build &Supercell…" msgstr "Супер клетка" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Цвят по разстояние" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 #, fuzzy msgid "&Import" msgstr "Внасяне" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Посочената молекула не може да бъде открита: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Добиване от PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 #, fuzzy msgid "Optimize Geometry" msgstr "Oптимизиране на геометрията" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate Energy" msgid "&Calculate" msgstr "Изчисляване" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Авогадро" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "%1 Енергия = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy msgid "Forcefield optimization" msgstr "Геометрична оптимизация" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "Водород" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Вмъкване" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Молекулярни…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Без" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Елемент" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "Ъгъл:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy msgid "&Molecular…" msgstr "&Молекулярни…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Свойства" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Молекулярни свойства" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 #, fuzzy msgid "Molecule Properties" msgstr "Свойства на молекулата" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy msgid "Export…" msgstr "Изнасяне…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Навигация" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Oптимизиране на геометрията (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "Износ на Bitmap Графика" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "видео файлове (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 #, fuzzy msgid "Save File" msgstr "Запазване на файл" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Валентност" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:522 #, fuzzy msgid "Atom" msgstr "Атом" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Вид" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Краен атом" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Ред на връзките" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Дължина (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Атом 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Връх" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Атом 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Ъгъл" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Атом 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Атом 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "Свойства на атома…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "Свойства на връзката…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Свойства на ъгъла…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Свойства" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Свойства на атома" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Свойства на връзката" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Свойства на ъгъла" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Избиране" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "Избиране" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgid "Spectra" msgid "Spectra" msgstr "Спектри" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "Инфрачервен" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 #, fuzzy #| msgid "Energy" msgid "Energy (eV)" msgstr "Енергия" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Плътност на електроните" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 #, fuzzy msgid "Calculating electron density" msgstr "Изчисляване плътността на електроните" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Повърхности" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "Група %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Успех!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Цвят по частичен заряд" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Запазване на файл" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "име" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Външен вид" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) #, fuzzy msgid "&Import..." msgstr "Внасяне" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy #| msgid "Import Spectra" msgid "Imported Spectra:" msgstr "Внасяне на спектър:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) #, fuzzy msgid "&Export..." msgstr "Изнасяне…" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Export Calculated Spectrum" msgid "Calculated Spectra:" msgstr "Изчислен спектър:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " (" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy #| msgid "Group %1" msgid "Groups" msgstr "Група" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Group %1" msgid "Group:" msgstr "Групи:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Svetoslav Stefanov, ,Launchpad Contributions:," "Svetoslav Stefanov, ,Launchpad Contributions:,Svetoslav Stefanov, ,Launchpad " "Contributions:,Svetoslav Stefanov, ,Launchpad Contributions:,Svetoslav " "Stefanov, ,Launchpad Contributions:,Svetoslav Stefanov, ,Launchpad " "Contributions:,Svetoslav Stefanov, ,Launchpad Contributions:,Svetoslav " "Stefanov, ,Launchpad Contributions:,Svetoslav Stefanov, ,Launchpad " "Contributions:,Svetoslav Stefanov, ,Launchpad Contributions:,Svetoslav " "Stefanov, ,Launchpad Contributions:,Svetoslav Stefanov, ,Launchpad " "Contributions:,Svetoslav Stefanov" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,svetlisashkov@yahoo.com,,,svetlisashkov@yahoo.com,,,svetlisashkov@yahoo." "com,,,svetlisashkov@yahoo.com,,,svetlisashkov@yahoo.com,,," "svetlisashkov@yahoo.com,,,svetlisashkov@yahoo.com,,,svetlisashkov@yahoo." "com,,,svetlisashkov@yahoo.com,,,svetlisashkov@yahoo.com,,," "svetlisashkov@yahoo.com,,,svetlisashkov@yahoo.com,,,svetlisashkov@yahoo.com" #, fuzzy #~ msgid "Partial Charge" #~ msgstr "Цвят по частичен заряд" #, fuzzy #~| msgid "Animation..." #~ msgid "Animation Tool" #~ msgstr "Анимация" #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Сфери на Van der Waal" #, fuzzy #~ msgid "Geometry" #~ msgstr "Oптимизиране на геометрията" #, fuzzy #~ msgid "By Distance" #~ msgstr "Цвят по разстояние" #, fuzzy #~| msgid "Copy" #~ msgid "&Copy" #~ msgstr "Копирай" #, fuzzy #~ msgid "Molecule Name:" #~ msgstr "Молекулярни свойства" #, fuzzy #~ msgid "Optimize" #~ msgstr "&Oптимизиране на геометрията" #, fuzzy #~ msgid "Filename" #~ msgstr "Грешно име на файл" #~ msgid "OK" #~ msgstr "Добре" #~ msgid "Cancel" #~ msgstr "Отказ" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Елемент" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Всички файлове" #~ msgid "Atom Properties..." #~ msgstr "Свойства на атома..." #~ msgid "Bond Properties..." #~ msgstr "Свойства на връзка..." #~ msgid "Angle Properties..." #~ msgstr "Свойства на връзката..." #, fuzzy #~ msgid "Torsion Properties..." #~ msgstr "Свойства на връзката" #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Свойства на молекулата..." #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Ъгъл %1" #, fuzzy #~ msgid "No" #~ msgstr "Неон" #, fuzzy #~ msgid "Import" #~ msgstr "Внасяне" #~ msgid "E&xtensions" #~ msgstr "&Разширения" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Oптимизиране на геометрията" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Геометрична оптимизация" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Повърхности" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Цвят по индекс (червен, оранжев, жълт, зелен, син, лилав)." #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Цвят по атомен частичен заряд (син = положителен, червен = отрицателен)" #~ msgid "Set custom colors for objects" #~ msgstr "Задаване потребителски цветове за обектите" #~ msgid "Color by distance from the first atom." #~ msgstr "Цвят по разстояние от първият атом." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Цвят по елемент (въглерод = сив, кислород = червен, ...)" #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Цвят по група (тип на амино киелината, хидрофобност, ...)" #~ msgid "Ununtrium" #~ msgstr "Унунбий" #~ msgid "Ununpentium" #~ msgstr "Унунпентиум" #~ msgid "Ununseptium" #~ msgstr "Унунсептий" #~ msgid "Ununoctium" #~ msgstr "Унуноктий" #~ msgid "Engines" #~ msgstr "Системи" #~ msgid "Axes" #~ msgstr "Оси" #~ msgid "Hydrogen Bond" #~ msgstr "Водородна връзка" #~ msgid "Polygon" #~ msgstr "Многоъгълник" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Рендерира атомите като тетраедър, октаедър и други многоъгълници" #~ msgid "Ring" #~ msgstr "Пръстени" #~ msgid "Simple Wireframe" #~ msgstr "Проста решетка" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Рендерира връзките като въжета (линии), идеално за големи молекули" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Рендерира връзките като въжета (линии), идеално за много големи " #~ "(био)молекули" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Добавяне на разширение .avi" #~ msgid "Cannot read file format of file %1." #~ msgstr "Файловият формат на файла %1 не може да бъде прочетен." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Четенето на файла с траектория %1 се провали." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Трябва да се зададе валидно име на файл .avi" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "Невалидно име на видео файл. Трябва да включва пълния път за достъп" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Невалидно име на видео файл. Трябва да включва пълния път за достъп и " #~ "име, завършващо с .avi" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Анимиране на траектории, взаимодействия и вибрации." #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "За да се добави ограничение, молекулата трябва да съдържа поне един атом" #~ msgid "Trajectory..." #~ msgstr "Траектория..." #~ msgid "Open chemical file format" #~ msgstr "Отваряне на химически файлов формат" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Химически файлове (*.xyz)" #~ msgid "Import Trajectory" #~ msgstr "Внасяне на траектория" #~ msgid "Import trajectory files" #~ msgstr "Внасяне на файлове с траектория" #~ msgid "Peptide..." #~ msgstr "Пептид..." #~ msgid "Fetch from URL..." #~ msgstr "Добиване от URL..." #~ msgid "URL" #~ msgstr "Адрес" #~ msgid "URL of molecule to download." #~ msgstr "Адрес на молекулата за изтегляне" #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Посочената молекула не може да бъде заредена: %1" #~ msgid "Fetch molecule files over the network." #~ msgstr "Добиване на файлове с молекули от мрежата" #~ msgid "Show Preview" #~ msgstr "Предварителен преглед" #~ msgid "Hide Preview" #~ msgstr "Скриване на прегледа" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Запазване на изображение, рендерирано с POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Изображения (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Не е въведено валидно име на файл." #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Не може да се направи запис във файлът %1. Имате ли права за запис в това " #~ "местоположение?" #~ msgid "Python Terminal" #~ msgstr "Терминал на Python" #~ msgid "Delete" #~ msgstr "Изтриване" #~ msgid "You must make a selection!" #~ msgstr "Трябва да направите избиране!" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Advanced Settings Changed" #~ msgstr "Разширените настройки са променени" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Разширените настройки са променени.\n" #~ "Отмяна?" #~ msgid "Advanced Settings Reset" #~ msgstr "Връщане на разширените настройки" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Сигурни ли сте, че желаете да върнете разширените настройки?\n" #~ "Всички промени ще бъдат изгубени!" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Сигурни ли сте, че желаете да върнете основните настройки?\n" #~ "Всички промени ще бъдат изгубени!" #~ msgid "There is no current selection." #~ msgstr "Няма текуща селекция." #~ msgid "Name cannot be empty." #~ msgstr "Името не може да бъде празно" #~ msgid "There is already a selection with this name." #~ msgstr "Вече има селекция с такова име." #~ msgid "Y Axis" #~ msgstr "Ос Y" #~ msgid "Publication" #~ msgstr "Публикация" #~ msgid "New Scheme" #~ msgstr "Нова схема" #~ msgid "Confirm Scheme Removal" #~ msgstr "Потвърждение премахването на схемата" #~ msgid "Really remove current scheme?" #~ msgstr "Наистина ли да бъде премахната текущата схема" #~ msgid "Enter new name for current scheme:" #~ msgstr "Въведете ново име за текущата схема:" #~ msgid "Unknown extension: %1" #~ msgstr "Неизвестно разширение: %1" #~ msgid "Data Format" #~ msgstr "Формат на данните" #~ msgid "Load Spectral Data" #~ msgstr "Зареждане на спектрални данни" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image File Format" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Building video " #~ msgstr "Изграждане на видео " #~ msgid "XYZ" #~ msgstr "XYZ" avogadrolibs-1.100.0/i18n/bs.po000066400000000000000000010767141474375334400161060ustar00rootroot00000000000000# Bosnian translation for avogadro # Copyright (c) 2011 Rosetta Contributors and Canonical Ltd 2011 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2011. # Emin Macanović , 2021. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-16 14:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Bosnian \n" "Language: bs\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=3; plural=(n%10==1 && n%100!=11 ? 0 : n%10>=2 && " "n%10<=4 && (n%100<10 || n%100>=20) ? 1 : 2);\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, fuzzy, qt-format msgid "%1 Input Generator" msgstr "%1 Generator umetanja" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Zatvori" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Nepoznat" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Molekula nije postavljena u BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Vodonik" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Helijum" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Litijum" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Berilijum" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Ugljenik" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Azot" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Kiseonik" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Natrijum" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnezijum" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Aluminijum" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silicijum" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Sumpor" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Hlor" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Kalijum" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Kalcijum" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Skandijum" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titanijum" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadijum" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Hrom" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Željezo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nikl" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Bakar" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Cink" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Galijum" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germanijum" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsen" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selen" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Kripton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidijum" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Stroncijum" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Itrijum" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Cirkonijum" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niobijum" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molibden" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Tehnecijum" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Rutenijum" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rodijum" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Paladijum" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Srebro" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Kadmijum" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indijum" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Kalaj" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Telur" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Jod" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Ksenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Cezijum" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Barijum" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantan" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cerijum" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Prazeodijum" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodijum" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Prometijum" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samarijum" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europijum" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinijum" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbijum" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Disprosijum" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmijum" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbijum" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Tulijum" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Iterbijum" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutecijum" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnijum" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Volfram" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Renijum" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmijum" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridijum" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platina" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Zlato" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Živa" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Talijum" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Olovo" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bizmut" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonijum" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astat" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Francijum" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radijum" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Aktinijum" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Torijum" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protaktinijum" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uran" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptunijum" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutonijum" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Americijum" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Kirijum" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berklijum" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Kalifornijum" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Ajnštajnijum" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermijum" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendeljevijum" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelijum" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Lorencijum" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Radefordijum" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnijum" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Siborgijum" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Nilsborijum" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hasijum" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Majcnerijum" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmštatijum" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Rentgenijum" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Kopernicij" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihonij" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flerovij" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moskovij" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermorij" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tenesin" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganeson" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Sve datoteke" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Naslov" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "Teorija" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Osnova" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Sklupčaj i zalijepi" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Crtež" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipolni moment" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Sila" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Oznaka" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Vals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Žičani model" #: qtgui/moleculemodel.cpp:92 #, fuzzy msgid "Untitled" msgstr "bez naslova" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodni sistem" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Dodaj atom" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Ukloni atom" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Podesi vodonik" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Promijeni element" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Promijeni element" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Dodaj vezu" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 #, fuzzy msgid "Clear Bonds" msgstr "Ukloni vezu" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Promijeni smijer veze" #: qtgui/rwmolecule.cpp:369 #, fuzzy msgid "Update Bonds" msgstr "Miči na veze" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 #, fuzzy msgid "Build Super Cell" msgstr "Super ćelija" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Popuni jedinicu ćelije" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 #, fuzzy #| msgid "Draw Settings" msgid "Settings" msgstr "Postavke" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Datoteka" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 #, fuzzy msgid "&Export" msgstr "Izvezi" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Izgradi" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Poravnanje" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Osa:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Poravnaj molekule po Kartezijevoj osi" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, fuzzy msgid "IO Error" msgstr "Greška" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Greška" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "Uspjeh" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "Boja po izboru…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy #| msgid "Partial charge" msgid "By Partial Charge…" msgstr "djelomični naboj…" #: qtplugins/applycolors/applycolors.cpp:82 #, fuzzy msgid "By Secondary Structure" msgstr "sekundarnu strukturu" #: qtplugins/applycolors/applycolors.cpp:87 #, fuzzy msgid "By Amino Acid" msgstr "Amino kiseline" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 #, fuzzy #| msgid "Spectra" msgctxt "colormap" msgid "Spectral" msgstr "Spektri" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Pogled" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 #, fuzzy msgid "Color Residues" msgstr "Boja ostatku" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Prikaži višestruke spojeve" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Manipulacija centralnom vezom" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Manipulacija centralnom vezom" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "Ugao veze" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Kičma" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Traka" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Crtež" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Crtež" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "&Ekstenzije" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #, fuzzy msgid "Scripts" msgstr "Skripte" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 #, fuzzy #| msgid "Other" msgid "Other…" msgstr "Ostalo…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Ime elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Simbol elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Indikacije atoma." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Atomski broj." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 #, fuzzy msgid "X coordinate." msgstr "X koordinate" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 #, fuzzy msgid "Y coordinate." msgstr "Y koordinate" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 #, fuzzy msgid "Z coordinate." msgstr "Z koordinate" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energija" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 #, fuzzy msgid "Molecular Dynamics" msgstr "Molekularna dinamika" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 #, fuzzy msgid "Geometry Optimization" msgstr "Geometrijska optimizacija" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 #, fuzzy msgid "Molecular Mechanics" msgstr "Molekularna mehanika" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 #, fuzzy msgid "Conjugate Gradients" msgstr "Konjugovani gradijent" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 #, fuzzy msgid "Steepest descent" msgstr "Najveći nagib" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 #, fuzzy msgid "Build &Supercell…" msgstr "&Super ćelija" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Nacrtaj" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Nacrtaj atom" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Rastojanje:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Jednostruka" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Dvostruka" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Trostruka" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 #, fuzzy msgid "&Import" msgstr "Uvoz" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Donesi iz PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Hemijska struktura za download." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Mrežni download nije uspio" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Istek vremena mreže ili druga greška." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Navedena molekula ne može biti pronađena: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Donesi iz PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 #, fuzzy msgid "Optimize Geometry" msgstr "Optimizacija Geometrije" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "Izračunaj" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "%1 Energija = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield optimization" msgstr "Optimizacija polja sile" #: qtplugins/forcefield/forcefield.h:50 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" msgstr "Optimizacija polja sile" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "GAMESS" msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "GAMESS ulaz" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "jedne tačke" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Ekvilibrijum geometrija" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Prelazno stanje" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Frekvencije" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Potencijal jezgra" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Voda" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Jednorka" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Dvojka" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Trojka" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Dikatjon" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "katjon" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neutralan" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Podesi vodonik" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Dodaj vodik" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Izbaci vodike" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "Vodici" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Vodici" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Ubaci" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 #, fuzzy #| msgid "T" msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "Molekul…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Ubaci fragment" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Ubaci fragment" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Ubaci molekularne fragmente za pravljenje većih molekula" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 #, fuzzy msgid "Color:" msgstr "Boje:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Ništa" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "Jedinstveni id." #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 #, fuzzy msgid "Atom Label:" msgstr "Grupne oznake:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Da li želita da osvježite pregled teksta, gubeći sve promjene napravljene u " "pregledu okna Lammps ulaznog deka?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Neprozirnost:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 #, fuzzy msgid "No descriptors found!" msgstr "Nema opisa!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Upravljaj" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Mjera" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Diedarski:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Ugao:" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "Ugao:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy msgid "&Molecular…" msgstr "&Molekulrna…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 #, fuzzy msgid "&Analysis" msgstr "&Analitika" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Osobine" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Molekularne postavke" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "svojstva molekule" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 #, fuzzy msgid "Export CSV" msgstr "Izvezi CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 #, fuzzy #| msgid "Could not open file '%1' for writing." msgid "Could not open the file for writing." msgstr "Ne može se otvoriti datoteka '%1' za pisanje." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy msgid "Export…" msgstr "Izvezi…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigacija" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Hemijsko ime" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 #, fuzzy #| msgid "°" msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 #, fuzzy msgid "Configure Force Field…" msgstr "Podesi polje sile..." #: qtplugins/openbabel/openbabel.cpp:59 #, fuzzy #| msgid "Conformer Search" msgid "Conformer Search…" msgstr "Pretraga konformera…" #: qtplugins/openbabel/openbabel.cpp:65 #, fuzzy msgid "Perceive Bonds" msgstr "Opažene veze" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Dodaj vodike za pH" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "Izbaci vodike" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Optimizacija Geometrije (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Dodaj vodik (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "Dodaj vodike za pH" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Izbaci vodike (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Da li želite da osvježite pregled teksta, gubeći sve promjene napravljene u " "pregledu okna OpenMM ulaznog deka." #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Zaustavi" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 #, fuzzy msgid "Dynamic bonding?" msgstr "Dinamički spojevi?" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "video datoteke (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 #, fuzzy msgid "Save File" msgstr "Snimi datoteku" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Valencija" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "Boje" #: qtplugins/propertytables/propertymodel.cpp:522 #, fuzzy msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Tip" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Zaustavi atom" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Vrsta veze" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Dužina (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 #, fuzzy msgid "Secondary Structure" msgstr "Sekundarna Struktura" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Atom 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Tjeme" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Atom 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Ugao (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Atom 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Atom 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "Zavojnica" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "Zavojnica" #: qtplugins/propertytables/propertymodel.cpp:939 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "List" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "Postavke atoma…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "Postavke spoja…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Postavke ugla…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy #| msgid "Torsion Properties" msgid "Torsion Properties…" msgstr "Torzione postavke…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "Prozori za prikazivanje postavki atoma, spojeva, ugla i torzije." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Svojstva" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Postavke atoma" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Postavke spoja..." #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Postavke ugla" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Torzione postavke" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Postavke konformera" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "Reset" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Residue…" msgstr "Odabir po ostatku..." #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Izaberi" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" msgstr "Odabir ostatku" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "Izaberi" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Izbor" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Popuni jedinicu ćelije…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgid "Spectra" msgid "Spectra" msgstr "Spektri" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "Infracrveno" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 #, fuzzy #| msgid "Electron Density" msgid "Electronic" msgstr "elektrona" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 #, fuzzy #| msgid "Wavenumber (cm-1)" msgid "Wavenumbers (cm⁻¹)" msgstr "Valni broj (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 #, fuzzy #| msgid "Import Spectra" msgid "Raman Spectra" msgstr "Raman spektar" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 #, fuzzy #| msgid "Spectra" msgid "NMR Spectra" msgstr "NMR Spektri" #: qtplugins/spectra/spectradialog.cpp:614 #, fuzzy #| msgid "Shift (ppm)" msgid "Chemical Shift (ppm)" msgstr "Promjer (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 #, fuzzy #| msgid "Energy" msgid "Energy (eV)" msgstr "Energija (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Gustina elektrona" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Create Surfaces" msgid "Create Surfaces…" msgstr "Kreiraj površine…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 #, fuzzy msgid "Render a molecular orbital." msgstr "Molekulrna kružna putanja" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 #, fuzzy msgid "Calculating electron density" msgstr "Izračunavanje gustine elektrona" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Površi" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, fuzzy, qt-format msgid "Group %1" msgstr "Grupe %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "Vibracija" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, fuzzy, qt-format #| msgid "MOPAC failed to start." msgid "Error: %1 failed to start" msgstr "%1 se nije uspio pokrenuti" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Forma" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "Ubaci fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Polje sila:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Uspjeh!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial charge" msgid "Partial Charges" msgstr "djelomični naboj" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Primijeni" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Resetuj sve" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Podrazumijevano" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Snimi datoteku…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Osnovno podešavanje" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Naslov:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Metoda:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opcije super ćelije" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A ponavljanje:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B ponavljanje:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C ponavljanje:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Vrsta veze:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS ulaz" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Unutra:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Višestrukost:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Sa:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Naboj:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "ime" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) #, fuzzy #| msgid "Nucleus:" msgid "Nucleic Acids:" msgstr "Nukleinske kiseline:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy #| msgid "G" msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy #| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other" msgid "Other" msgstr "Ostalo" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Jednostruka" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Dvostruka" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Koristi formu" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Pretraga konformera" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Metoda" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Number of conformers" msgid "Number of conformers:" msgstr "Broj konformera:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Sistematična kružna pretraga" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Nasumična kružna pretraga" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Opterećena kružna pretraga" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Najveći nagib" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Polje sila:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Referenca" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Jednostruka" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Dvostruka" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Ograničenja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Width:" msgid "Peak Width:" msgstr "Širina:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Izgled" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Prikaži" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "Unosi tsv eksperimentalnih spektara da se oblože na crtežu." #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Uvezi..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Postavi boju..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Uneseni spektar:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Izvezi..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Pozadina:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Export Calculated Spectrum" msgid "Calculated Spectra:" msgstr "Izračunati spektar:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy #| msgid "10e-" msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) #, fuzzy msgid "Export Data" msgstr "Izvezi podatke" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Zatvori" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Kontrole:\n" "Dvostruki lijevi klik: Vrati zadane limite ose\n" "Desni klik + povlačenje: Pomakni crtež\n" "Srednji klik + povlačenje: Uvećaj područje\n" "Skrol točkić: Povećaj na kursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "&Učitaj podatke..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Kreiraj površine" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Boja po:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy #| msgctxt "Electrostatic potential surface type" #| msgid "Electrostatic Potential" msgid "Electrostatic Potential" msgstr "Electrostatski potencijal" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Rezolucija:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Vrijednost zasićenja izopovršine:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " (" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Svjetlo" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Izračunaj" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekul" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) #, fuzzy msgid "Coordination:" msgstr "Koordinate:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "Tip:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Grupe" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Grupe:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #, fuzzy msgid "Start Animation" msgstr "Počni animaciju" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) #, fuzzy msgid "Stop Animation" msgstr "Zaustavi animaciju" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:, ,Launchpad Contributions:,Avogadro Team, ," "Launchpad Contributions:,Avogadro Team,Damir Zubanović,Samir Ribić, ," "Launchpad Contributions:,Avogadro Team,Damir Zubanović,Samir Ribić, ," "Launchpad Contributions:,Avogadro Team,Damir Zubanović,Samir Ribić" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,avogadro-devel@lists.sourceforge.net,,,avogadro-devel@lists.sourceforge." "net,,,,,avogadro-devel@lists.sourceforge.net,,,,,avogadro-devel@lists." "sourceforge.net,," #, fuzzy #~| msgid "Partial charge" #~ msgid "Partial Charge" #~ msgstr "djelomični naboj" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animacija" #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Vals" #, fuzzy #~ msgid "Geometry" #~ msgstr "&Optimizacija Geometrije" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Popuni jedinicu ćelije" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Indikacije atoma" #, fuzzy #~ msgid "By Distance" #~ msgstr "Rastojanje" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Indikacije atoma" #, fuzzy #~| msgid "Molecule Charge:" #~ msgid "Molecule Name:" #~ msgstr "Naelektrisanje molekule:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molekularna masa (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Hemijska formula:" #~ msgid "Number of Atoms:" #~ msgstr "Broj atoma:" #~ msgid "Number of Bonds:" #~ msgstr "Broj spojeva:" #~ msgid "TODO" #~ msgstr "ZADACI" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Veličina skoka:" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "Optimizacija" #, fuzzy #~ msgid "In." #~ msgstr "Unutra:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragment..." #~ msgid "Other..." #~ msgstr "Ostalo..." #, fuzzy #~ msgid "Filename" #~ msgstr "Ime datoteke:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Struktura:" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navigacija" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navigacija" #~ msgid "OK" #~ msgstr "U redu" #~ msgid "Cancel" #~ msgstr "Odustani" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Ime elementa" #, fuzzy #~| msgid "Dihedral:" #~ msgid "octahedral" #~ msgstr "Diedarski:" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molekul" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Nema postavljene molekule" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Dodaj vodike za pH" #~ msgid "Atom Properties..." #~ msgstr "Postavke atoma..." #~ msgid "Bond Properties..." #~ msgstr "Postavke spoja...." #~ msgid "Angle Properties..." #~ msgstr "Postavke ugla..." #~ msgid "Torsion Properties..." #~ msgstr "Postavke torzije..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Postavke molekule..." #~ msgid "Create Surfaces..." #~ msgstr "Kreiraj površine..." #~ msgid "Insert Fragment..." #~ msgstr "Umetni fragment..." #~ msgid "Theory:" #~ msgstr "Teorija:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Distanca (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "okretljiv" #, fuzzy #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "Konformer %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "Konformer %1" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Ugao %1" #, fuzzy #~ msgid "Angle" #~ msgstr "Ugao:" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "Konformer %1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torzija %1" #, fuzzy #~ msgid "Torsion" #~ msgstr "Torzija %1" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "Energija (kJ/mol):" #, fuzzy #~ msgid "Yes" #~ msgstr "Godine" #, fuzzy #~ msgid "No" #~ msgstr "Neon" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Generator umetanja" #, fuzzy #~ msgid "Import" #~ msgstr "Uvoz" #~ msgid "Insert SMILES" #~ msgstr "Ubaci SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Ubaci SMILES fragmente:" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "Ubaci fragment" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Ubaci molekularne fragmente za pravljenje većih molekula" #~ msgid "E&xtensions" #~ msgstr "P&roširenja" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimizacija Geometrije" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometrijska optimizacija" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Dodaj vodik" #, fuzzy #~ msgid "Stopped" #~ msgstr "Zaustavi" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Površi" #~ msgid "Color by Index" #~ msgstr "Boja po indeksu" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Boja po indeksu (crvena, narandžasta, žuta, zelena, plava, ljubičasta)." #~ msgid "Color by Partial Charge" #~ msgstr "Boja po djelimičnom naboju" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "Boja po atomskom djelimičnom naboju" #~ msgid "Custom Color:" #~ msgstr "Proizvoljna boja:" #~ msgid "Set custom colors for objects" #~ msgstr "Postavi vlastite boje za objekte" #~ msgid "Color by Distance" #~ msgstr "Boja po udaljenosti" #~ msgid "Color by distance from the first atom." #~ msgstr "Boja po udaljenosti od prvog atoma" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Boja po elementu (ugljenik = sivi, kiseonik = crveni, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Boja po ostatku (tip amino kiselina, hidrofobnost, ..." #~ msgid "Ununtrium" #~ msgstr "Ununtrijum" #~ msgid "Ununpentium" #~ msgstr "Ununpentijum" #~ msgid "Ununseptium" #~ msgstr "Ununseptijum" #~ msgid "Ununoctium" #~ msgstr "Ununoktijum" #~ msgid "Engines" #~ msgstr "Mašine" #~ msgid "Axes" #~ msgstr "Ose" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Renderira primitive koristeći Lopte (atomi) i Štapiće(veze)" #~ msgid "Hydrogen Bond" #~ msgstr "Vodikov spoj" #~ msgid "Renders hydrogen bonds" #~ msgstr "Renderira vodikove veze" #~ msgid "Polygon" #~ msgstr "Poligon" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Pravi atome kao tretraedre, oktaedre i ostale poligone" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Renderira okosnice proteina kao trake" #~ msgid "Ring" #~ msgstr "Prsten" #~ msgid "Renders rings with colored planes" #~ msgstr "Renderira prstene sa kružnim ramovima" #~ msgid "Simple Wireframe" #~ msgstr "Jednostavni Wireframe" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Renderira spojeve kao žce(linije), idealne za velike molekule" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waalsove sfere" #~ msgid "Stick" #~ msgstr "Štap" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Gustina elektrona, izopovršina = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, izopovršina = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Renderira veze kao žice(linije), idealno za veoma velike (bio)molekule" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Dodajem .avi ekstenziju" #~ msgid "Animation..." #~ msgstr "Animacija..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Ne mogu čitati datotečni format datoteke %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Čitanje datoteke puta %1 neuspješno." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Morate navesti validno .avi ime datoteke" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "GL dodatak nije inicijaliziran korektno u namjeri da se snimi video" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Nepostojeće ime video datoteke. Mora uključivati puno odredište datoteke" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Pogrešno ime video datoteke. Mora uključivati puno odredište datoteke sa " #~ "imenom koje završava sa .avi" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animiraj putanje, reakcije i vibracije." #~ msgid "Cartesian Editor..." #~ msgstr "Kartezijev uređivač..." #~ msgid "Number of atoms: %1" #~ msgstr "Broj atoma: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Broj okretnih veza: %1" #~ msgid "Add constraint" #~ msgstr "Dodaj ograničenje." #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Vaša molekula mora sadržavati bar jedan atom da bi dodali ograničenje." #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Vaša molekula mora sadržavati najmanje dva atoma da bi dodali ograničenje " #~ "veze" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Vaša molekula mora sadržavati najmanje tri atoma da bi dodale ugaono " #~ "ograničenje" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Vaša molekula mora sadržavati najmanje četiri atoma da bi dodali " #~ "trozijono ograničenje" #~ msgid "Trajectory..." #~ msgstr "Putanja..." #~ msgid "Open chemical file format" #~ msgstr "Otvori format hemijske datoteke" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Hemijske datoteke (*.xyz)" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Hemijske datoteke (*parm7)" #~ msgid "Import Trajectory" #~ msgstr "Unos putanje" #~ msgid "Import trajectory files" #~ msgstr "Unos datoteka putanje" #~ msgid "Calculate Energy" #~ msgstr "Izračunaj energiju" #~ msgid "Conformer Search..." #~ msgstr "Pretraga konformera..." #~ msgid "Constraints..." #~ msgstr "Ograničenja..." #~ msgid "Systematic Rotor Search" #~ msgstr "Sistematska kružna pretraga" #~ msgid "Random Rotor Search" #~ msgstr "Nasumična kružna pretraga" #~ msgid "Weighted Rotor Search" #~ msgstr "Opterećena kružna pretraga" #~ msgid "ForceField" #~ msgstr "Polje sile" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimizuje molekule i generiše konformere koristeči molekularnu mehaniku " #~ "sila polja" #~ msgid "Change H to Methyl" #~ msgstr "Izmijeni H u metil" #~ msgid "H to Methyl" #~ msgstr "H u metil" #~ msgid "H2Methyl" #~ msgstr "H2Metil" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Trasformiraj vodike u metil grupe" #~ msgid "Add or remove hydrogens" #~ msgstr "Dodaj ili izbaci vodike" #~ msgid "Peptide..." #~ msgstr "Peptid..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "ubaci oligopeptidne sekvence" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Procijenjeni moment dipola (D):" #~ msgid "Fetch from URL..." #~ msgstr "Donesi sa URL-a..." #~ msgid "PDB Entry" #~ msgstr "PDB ulaz" #~ msgid "PDB entry to download." #~ msgstr "PDB ulaz za download." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL molekule za download." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Navedena molekula ne može biti pokrenuta: %1" #~ msgid "Network Fetch" #~ msgstr "Mrežno dohvatanje" #~ msgid "Fetch molecule files over the network." #~ msgstr "Skini datoteke molekula preko mreže." #~ msgid "Show Preview" #~ msgstr "Pregled" #~ msgid "Hide Preview" #~ msgstr "Sakrij Pregled" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Snimi POV-Ray renderisanu sliku" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Datoteke slike(*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Nije predočeno validno ime datoteke." #~ msgid "Does not compute." #~ msgstr "Ne izračunava se." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Tražili ste nedirektno renderisanje koristeći POV-zRay i da ne zadržavate " #~ "datoteku POV-Ray. Ovo će rezultirati da izlaz neće biti spašen. Da li ste " #~ "sigurno da je to ono što želite uraditi?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Nemoguće pisati u datoteku %1. Da li imate dozvolu da pišete na toj " #~ "lokaciji?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray se nije uspio pokrenuti." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray se nije uspio pokrenuti. Možda put do izvršne datoteke nije " #~ "postavljen korektno." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Kreiraj datoteke POV-ray i renderiraj ih koristeći komandnu liniju POV-" #~ "ray programa." #~ msgid "Conformer Properties..." #~ msgstr "Postavke konformera..." #~ msgid "Python Terminal" #~ msgstr "Python Terminal" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Interaktivni python terminal za skriptiranje" #~ msgid "QM Matches" #~ msgstr "QM slagfanja" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP Selekcija..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM Selekcija" #~ msgid "Delete" #~ msgstr "Obriši" #~ msgid "You must make a selection!" #~ msgstr "Morate napraviti izbor!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES konverzija nedostupna" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES konverzija formata nije dostupna!" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Kreiraj ulazne datoteke za GAMESS paket za kvantnu hemiju" #~ msgid "Advanced Settings Changed" #~ msgstr "Napredne postavke su se promijenile" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Napredne postavke su se promijenile.\n" #~ "Odbaciti?" #~ msgid "Advanced Settings Reset" #~ msgstr "Resetuj napredne postavke" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Da li ste sigurni da želite resetovati napredne postavke?\n" #~ "Sve promjene bit će izgubljene!" #~ msgid "Basic Settings Reset" #~ msgstr "Resetuj osnovne postavke" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Da li ste sigurni da želite resetovati osnovne postavke?\n" #~ "Sve promjene bit će izgubljene!" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Upozorenje generatora Gausovog ulaznog deka" #~ msgid "Gaussian Running." #~ msgstr "Gaussian se izvršava." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussia se već izvršava. Sačekajte dok se prethodno izračunavanje završi." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian nije instaliran." #~ msgid "The G03 executable, cannot be found." #~ msgstr "G03 izvršna datoteka ne može biti pronađena" #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 se nije pokrenuo. Vjerovatno nije instaliran ispravno." #~ msgid "Running Gaussian calculation..." #~ msgstr "Izvršavam Gaussovo računanje" #~ msgid "G03 Crashed." #~ msgstr "G03 krahirao" #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "GaussiaN se nije izvršio korektno. Možda nije instaliran korektno" #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "MOPAC Input Warning" #~ msgstr "Mopac Ulazno upozorenje" #~ msgid "MOPAC Running." #~ msgstr "Izvršavanje MOPAC-a." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "MOPAC se već izvršava. Sačekajte dok se prethodni izračunavanje završi" #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC nije instaliran." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "MOPAC izvršna datoteka ne može biti pronađena." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "Mopac se nije pokrenuo. Vjerovatno nije instaliran ispravno." #~ msgid "Running MOPAC calculation..." #~ msgstr "Izvršavam MOPAC računanje..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC krahirao." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "MOPAC se nije porenuo korektno. Možda nije instaliran korektno." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Upozorenje NWChem generatora ulaznog deka" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Da li želite da osvježite pregled teksta, gubeći sve promjene napravljene " #~ "u pregledu okna NWChem ulaznog deka?" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem Upozorenje generatora ulaznog deka" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Da li želite da osvježite pregled teksta, gubeći sve promjene " #~ "napravljenje u pregledu okna Q-Chem ulaznog deka" #~ msgid "Select SMARTS..." #~ msgstr "Izaberi SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Dodaj imenovani odabir..." #~ msgid "SMARTS Selection" #~ msgstr "SMARTS odabir" #~ msgid "SMARTS pattern to select" #~ msgstr "SMARTS uzorak za odabir" #~ msgid "There is no current selection." #~ msgstr "Ne postoji odabir." #~ msgid "Add Named Selection" #~ msgstr "Dodaj imenovani odabir" #~ msgid "Name cannot be empty." #~ msgstr "Polje za ime ne može biti prazno." #~ msgid "There is already a selection with this name." #~ msgstr "Već postoji selekcija sa ovim imenom" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Odaberi atome, spojeve, ostatke" #~ msgid "GLSL Shaders..." #~ msgstr "GLSL Shaderi" #~ msgid "Open a vertex shader source file" #~ msgstr "Otvori vertex shader izvornu datoteku" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Verteh shader datoteke (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Otvori fragment shader izvornu datoteku" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fragment shader datoteke (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Otvori shader parametarsku datoteku" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Shader parametarske datoteke (*params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL Shaderi" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Pokreni i koristi OpenGL 2.0 GLSL shadere" #~ msgid "Transmittance (%)" #~ msgstr "Transmitansa (5)" #~ msgid "Absorbance (%)" #~ msgstr "Apsorpcija(%)" #~ msgid "No intensities" #~ msgstr "Nema intenziteta" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Vibracije učitanih podataka u molekuli imate učitane nema nikakav " #~ "intenzitet podatka. Intenziteti su postavljeni¸ na proizvoljne " #~ "vrijednosti za vizualizaciju." #~ msgid "X Axis" #~ msgstr "X osa" #~ msgid "Y Axis" #~ msgstr "Y osa" #~ msgid "&Infrared Spectra Settings" #~ msgstr "&Infracrveno, postavke spektra" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "&NMR, postavke spektra" #~ msgid "No data" #~ msgstr "Nema podataka" #~ msgid "Dark" #~ msgstr "Tamno" #~ msgid "Publication" #~ msgstr "Publikacija" #~ msgid "Handdrawn" #~ msgstr "Ručno" #~ msgid "New Scheme" #~ msgstr "Nova šema" #~ msgid "Confirm Scheme Removal" #~ msgstr "Potvrdi brisanje šeme" #~ msgid "Really remove current scheme?" #~ msgstr "Zaista želite ukloniti trenutnu šemu?" #~ msgid "Change Scheme Name" #~ msgstr "Promjeni ime šeme" #~ msgid "Enter new name for current scheme:" #~ msgstr "Unesi novo ime za trenutnu šemu" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Vrijednosti odvojene tabom (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Vrijednosti odvojene tabom" #~ msgid "Comma Separated Values" #~ msgstr "Vrijednosti odvojene zarezom" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Nepoznata ekstenzija: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR podaci (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomol IR podaci (control)" #~ msgid "Data Format" #~ msgstr "Format podataka" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format:" #~ msgid "Load Spectral Data" #~ msgstr "Učitaj spektralne podatke" #~ msgid "Portable Network Graphics" #~ msgstr "Prijenosna Mrežna Grafika" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image format datoteke" #~ msgid "Windows Bitmap" #~ msgstr "Windows bitmapa" #~ msgid "Portable Pixmap" #~ msgstr "Portabilna Piksmapa" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmapa" #~ msgid "X11 Pixmap" #~ msgstr "X11 Piksmapa" #~ msgid "Save Spectra Image" #~ msgstr "Snimi sliku spektra" #~ msgid "&Spectra..." #~ msgstr "&Spektar..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Vizualziraj spektralne podatke od proračuna kvantne hemije" #~ msgid "No vibrational displacements exist." #~ msgstr "Postoje vibracionalne zamjene." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Vizualiziraj vibracione modove izračuna kvantne hemije" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Sortiranje %1 vibracija po frekvenciji..." #~ msgid "Super Cell Builder..." #~ msgstr "Super ćelijski graditelj..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Ovaj dokument je trenutno izolirana molekula. Trebate kreirati jediničnu " #~ "ćeliju." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Izgradi i prikaži kristalografitne super ćelije" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Ništa" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Vals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Gustina elektrona" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Greška - nedefinisan tip" #~ msgid "Calculating VdW Cube" #~ msgstr "Izračunavanje VdW kocke" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Izračunavanje MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "GL dodatak nije korektno inicijaliziran da bi se napravio video" #~ msgid "GL widget has no molecule" #~ msgstr "GL dodatak nema molekulu" #~ msgid "Building video " #~ msgstr "Pravljenje videa " #~ msgid "Could not run mencoder." #~ msgstr "Ne može pokrenuti menkoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Postavi omjer" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Trenutna avogadrova scena je velika %1x%2 piksela, i ima omjer %3.\n" #~ "Možete zadržati ovu vrijednost, na primjer ako mislite koristiti POV-" #~ "Zrake\n" #~ "za proizvodnju slike od %4x1000 piksela, ili možete unijeti bilo koju " #~ "pozitivnu vrijednost,\n" #~ "na primjer 1 ako mislite koristiti POV-Zrake za proizvdnju kvadratne " #~ "slike, 1000x1000 piksela." #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Nevažeći OpenGL kontekst.\n" #~ "Ili je nešto sasvim pokvareno u OpenGL podešavanjima (možete li pokrenuti " #~ "bilo koju OpenGL aplikaciju?), ili ste našli bug." #~ msgid "Debug Information" #~ msgstr "Informacije za otklanjanje grešaka" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Veličina pogleda: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Atomi %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: indeks %1 van dosega" #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Tip datoteke '%1' nije podržan za čitanje." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Tip datoteke za datoteku '%1' nije podržan za čitanje." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Čitanje molekule sa indeksom %1 iz datoteke '%2' nije uspjelo" #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "zamijeni Molekulu: index %1 van dosega" #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Tip datoteke '%1' nije podržan za pisanje." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Tip datoteke za datoteku '%1' nije podržan za pisanje." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Ne može se otvoriti datoteka '%1' za čitanje." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Zamjena molekule sa indeksom '%1 u datoteci '%2' nije uspjela." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Datoteka %1 ne može biti otvorena za čitanje." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Datoteka %1 ne može biti otvorena za pisanje." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Spašavanje molekularne datoteke nije uspjelo - ne može se preimenovati " #~ "orginalna datoteka." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Spašavanje molekularne datoteke nije uspjelo - ne može se preimenovati " #~ "nova datoteka." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Spašavanje molekularne datoteke nije uspjelo - ne može se izbrisati stara " #~ "datoteka." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Upisivanje molekule u datoteku '%1' nije uspjelo. OpenBabel funkcija se " #~ "nije uspjela izvršiti." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Datoteka %1 ne može biti otvorena za pisanje." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Pisanje konformera u datoteku '%1' nije uspjelo." #~ msgid "Molecule %1" #~ msgstr "Molekula %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Nepoznat Python pogon" #~ msgid "PythonEngine: checking " #~ msgstr "Python pogon: provjeravanje " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - skripta nema definiranu 'Enginer' klasu" #~ msgid " - no module" #~ msgstr " - nema modula" #~ msgid "Unknown Python Extension" #~ msgstr "Nepoznato Python proširenje" #~ msgid "PythonExtension: checking " #~ msgstr "PythonProširenje: provjerava " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - skripta nema definiranu 'Extension' klasu" #~ msgid "Unknown Python Tool" #~ msgstr "Nepoznata Python traka alata" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: provjera " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - skripta nema definiranu 'Tool' klasu" #~ msgid "Tools" #~ msgstr "Alati" #~ msgid "Align:" #~ msgstr "Poravnanje:" #~ msgid "Everything" #~ msgstr "Sve" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "Auto optimizacija: Ne mogu postaviti polje sila...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Steps per Update:" #~ msgstr "Koraci za ažuriranje:" #~ msgid "Algorithm:" #~ msgstr "Algoritam:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Molekularna dinamika (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Molekularna dinamika (900K)" #~ msgid "Start" #~ msgstr "Početak" #~ msgid "Fixed atoms are movable" #~ msgstr "Fiksirani atomi su pokretni" #~ msgid "Ignored atoms are movable" #~ msgstr "Zanemareni atomi su pokretni" #~ msgid "AutoOpt Molecule" #~ msgstr "Auto optimizacija molekule" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Automatska optimizacija molekularne geometrije" #~ msgid "AutoOptimization Settings" #~ msgstr "Postavke automatske optimizacije" #~ msgid "Auto Rotation Tool" #~ msgstr "Alat auto rotiranja" #~ msgid "x rotation:" #~ msgstr "x rotacija:" #~ msgid "x rotation" #~ msgstr "x rotacija" #~ msgid "y rotation:" #~ msgstr "y rotacija:" #~ msgid "y rotation" #~ msgstr "y rotacija" #~ msgid "z rotation:" #~ msgstr "z rotacija:" #~ msgid "z rotation" #~ msgstr "z rotacija" #~ msgid "Automatic rotation of molecules" #~ msgstr "Automatska rotacija molekula" #~ msgid "AutoRotate Settings" #~ msgstr "Automatska rotacija postavki" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Dužina veza: %L1" #~ msgid " Show Angles" #~ msgstr " Prikaži uglove" #~ msgid "Bond Centric Manipulate" #~ msgstr "Centrično manipuliranje vezama" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulacija duzine spoja, uglova i torzije" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Postavke centričnog manipuliranja vezama" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distanca (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distanca (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Dihedralni ugao: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Razmak(ci):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Izmjeri dužine spoja, uglove i dihedrale" #~ msgid "Draw Bond" #~ msgstr "Crtaj vezu" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Crta i edituje atome i spojeve" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Transliranje, rotiranje i podešavanje atoma i fragmenata" #~ msgid "Manipulate Settings" #~ msgstr "Upravljanje postavkama" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Transliranje, rotiranje i zumiranje oko trenutnog pogleda" #~ msgid "Navigate Settings" #~ msgstr "Postavke orijentacije" #~ msgid "Selection Mode:" #~ msgstr "Način odabira:" #~ msgid "Atom/Bond" #~ msgstr "Atom/veza" #~ msgid "Residue" #~ msgstr "Ostatak" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Odabir atoma, ostaka i molekula" #~ msgid "Symbol" #~ msgstr "Simbol" #~ msgid "Bond Length" #~ msgstr "Dužina veze" #~ msgid "Dihedral Angle" #~ msgstr "Ugao torzije" #~ msgid "Z Matrix Editor..." #~ msgstr "Editor Z matrice..." #~ msgid "Z-Matrix" #~ msgstr "Z-matrica" #~ msgid "Create/edit a z-matrix" #~ msgstr "Kreiraj/izmijeni z-matricu" #~ msgid "Z-Matrix Settings" #~ msgstr "Postavke z-matrice" #~ msgid "Color residues by:" #~ msgstr "Boje ostatka po:" #~ msgid "Hydrophobicity" #~ msgstr "Hidrofobnost" #~ msgid "Atom Radius:" #~ msgstr "Prečnik atoma:" #~ msgid "Bond Radius:" #~ msgstr "Prečnik spoja:" #~ msgid "Shape" #~ msgstr "Oblik" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Petlja" #~ msgid "Dipole:" #~ msgstr "Dipol:" #~ msgid "Cut-off radius:" #~ msgstr "Prečnik odreza:" #~ msgid "Cut-off angle:" #~ msgstr "Ugao odreza:" #~ msgid "Symbol & Atom number" #~ msgstr "Simbol i atomski broj" #~ msgid "Residue number" #~ msgstr "Broj ostatka" #~ msgid "Custom data" #~ msgstr "Vlastiti podaci" #~ msgid "Bond number" #~ msgstr "Broj veza" #~ msgid "Bond order" #~ msgstr "Uređenje spoja" #~ msgid "Radius:" #~ msgstr "Poluprečnik:" #~ msgid "Include Nitrogens" #~ msgstr "Uključi nitrogene" #~ msgid "VdW Opacity:" #~ msgstr "VdW neprovidnost:" #~ msgid "Orbital:" #~ msgstr "Orbite:" #~ msgid "Render:" #~ msgstr "Render:" #~ msgid "Fill" #~ msgstr "Popuna" #~ msgid "Points" #~ msgstr "Tačke" #~ msgid "Draw Box:" #~ msgstr "Kutija crtanja:" #~ msgid "Mapped Colors" #~ msgstr "Mapirane boje" #~ msgid "Positive" #~ msgstr "Pozitivan" #~ msgid "Negative" #~ msgstr "Negativno" #~ msgid "Show Atoms" #~ msgstr "Prikaži atome" #~ msgid "Animate Trajectory" #~ msgstr "Animiraj putanju" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Petlja" #~ msgid "Save as .avi..." #~ msgstr "Snimi kao .avi..." #~ msgid "Number of atoms:" #~ msgstr "Broj atoma:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Broj okretnih atoma:" #~ msgid "Ignore Atom" #~ msgstr "Ignoriši atom" #~ msgid "Fix Atom" #~ msgstr "Popravi atom" #~ msgid "Fix Atom X" #~ msgstr "Popravi atom X" #~ msgid "Fix Atom Y" #~ msgstr "Popravi atom Y" #~ msgid "Fix Atom Z" #~ msgstr "Popravi atom Z" #~ msgid "Torsion angle" #~ msgstr "Ugao torzije" #~ msgid "Add" #~ msgstr "Dodaj" #~ msgid "Save" #~ msgstr "Snimi" #~ msgid "Load" #~ msgstr "Učitaj" #~ msgid "Cartesian" #~ msgstr "Dekartove" #~ msgid "All" #~ msgstr "Sve" #~ msgid "File Import..." #~ msgstr "Unošenje datoteke..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Pokušaj opažanja veza?" #~ msgid "Setup Force Field" #~ msgstr "Postavi polje sile" #~ msgid "Ghemical" #~ msgstr "Ghemijski" #~ msgid "Number of steps" #~ msgstr "Broj koraka" #~ msgid "Algorithm" #~ msgstr "Algoritam" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Arginin" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Asparagin" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "Aspartična kiselina" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Cistein" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "Glutaminozna kiselina" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Glutamin" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Glicin" #~ msgid "Gly" #~ msgstr "Gly" #~ msgid "Histidine" #~ msgstr "Histidin" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "Isoleucin" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyr" #~ msgstr "Tyr" #~ msgid "Tryptophan" #~ msgstr "Tirtofan" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "Threonin" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "Serin" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Prolin" #~ msgid "Phenylalanine" #~ msgstr "Fenilalanin" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "Meitonin" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Lisin" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "Leucin" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "Sekvenca (N do C):" #~ msgid "Stereochemistry:" #~ msgstr "Stereohemija:" #~ msgid "L" #~ msgstr "L" #~ msgid "N Terminus:" #~ msgstr "N Terminus:" #~ msgid "C Terminus:" #~ msgstr "C Terminus:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Straight Chain" #~ msgstr "Ravni lanac" #~ msgid "Alpha Helix" #~ msgstr "Alfa helix" #~ msgid "Beta Sheet" #~ msgstr "Beta komad" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "Chain Number:" #~ msgstr "Broj lanca" #~ msgid "The chain number for the new peptide" #~ msgstr "Broj lanca za novi peptid" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Broj ostataka:" #~ msgid "Dipole Moment (D):" #~ msgstr "Dipolni moment (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Napredno" #~ msgid "Grid" #~ msgstr "Mreža" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray izlaz" #~ msgid "Select..." #~ msgstr "Izaberi..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Koristi antialiasing pune scene" #~ msgid "Antialias" #~ msgstr "Umekšavanje" #~ msgid "Set the background color to be transparent" #~ msgstr "Učini pozadinsku boju prozirnom" #~ msgid "Alpha transparency" #~ msgstr "Alfa prozirnost" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Renderiši molekulu direktno koristeći komandnu liniju POV-Zrake" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Zadrži izvor POV-Zrake nakon završetka renderisanja." #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Zadrži izvor POV-Zrake nakon renderisanja." #~ msgid "Path:" #~ msgstr "Staza:" #~ msgid "Compute..." #~ msgstr "Računaj..." #~ msgid "HF" #~ msgstr "HF" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EFP Matches" #~ msgstr "EFP poklapanja" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Napredne postavke" #~ msgid "Hessian" #~ msgstr "Hesian" #~ msgid "Stat Point" #~ msgstr "Stat tačka" #~ msgid "System" #~ msgstr "Sistemski" #~ msgid "MO Guess" #~ msgstr "MO pogodak" #~ msgid "Misc" #~ msgstr "Razno" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Funkcije polarizacije teških atoma:" #~ msgid "Read" #~ msgstr "Čitaj" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Difuzija S-Školjka na teškim atomima" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Difuzija L-Školjka na teškim atomima" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Dvostruka Zeta valencija" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Trostruka Zeta valencija" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA Valencija" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt Valencija" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP Tip:" #~ msgid "Default" #~ msgstr "Podrazumijevano" #~ msgid "Pople" #~ msgstr "Popl" #~ msgid "Pople N311" #~ msgstr "Popl N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Funkcije polarizacije teških atoma:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#lagano funkcije polarizacije atoma:" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Max SCF Iterations:" #~ msgstr "Maksimalne SCF iteracije:" #~ msgid "Gradient" #~ msgstr "Gradijent" #~ msgid "Trudge" #~ msgstr "Gaženje" #~ msgid "Saddle Point" #~ msgstr "Sedlasta tačka" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "extremni gradijent" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Radiativni tranzitivni mom." #~ msgid "Spin Orbit" #~ msgstr "Orbita spina" #~ msgid "Finite Electric Field" #~ msgstr "Konačno električno polje" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Globalna optimizacija" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO Optimizacija" #~ msgid "Raman Intensities" #~ msgstr "Ramanovi intenziteti" #~ msgid "Make EFP" #~ msgstr "Napravi EFP" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Ništa (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Momci" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF Tip:" #~ msgid "Localization Method:" #~ msgstr "Metode lokalizacije:" #~ msgid "Exec Type:" #~ msgstr "Exec tip:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. determinanta" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Višestruki aktivni prostor ograničenog zauzimanja" #~ msgid "CI Singles" #~ msgstr "CL Samci" #~ msgid "Full Second Order CI" #~ msgstr "Puni CI drugog reda" #~ msgid "General CI" #~ msgstr "Generalni CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: linarizirani CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC sa dvojkama" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC sa jednorkama i dvojkama" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Normalno pokretanje" #~ msgid "Check" #~ msgstr "Provjere" #~ msgid "Debug" #~ msgstr "Praćenje grešaka" #~ msgid "Run Type:" #~ msgstr "Tip pokretanja:" #~ msgid "Use MP2" #~ msgstr "Koristi MP2" #~ msgid "Use DFT" #~ msgstr "Koristi DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# Z-Matričnih Varijabli" #~ msgid "Order of Principal Axis:" #~ msgstr "Red glavnih osa:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Jedinstvene kartezijeve koordinate." #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrantovi unutarnji" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Koristi simetriju prilikom računanja" #~ msgid "Point Group:" #~ msgstr "Grupa tačke:" #~ msgid "Minutes" #~ msgstr "Minute" #~ msgid "Hours" #~ msgstr "Sati" #~ msgid "Days" #~ msgstr "Dani" #~ msgid "Weeks" #~ msgstr "Sedmica" #~ msgid "Millenia" #~ msgstr "Mileniji" #~ msgid "MegaWords" #~ msgstr "MegaRiječi" #~ msgid "MegaBytes" #~ msgstr "MegaBajti" #~ msgid "GigaWords" #~ msgstr "GigaRiječi" #~ msgid "GigaBytes" #~ msgstr "GigaBajti" #~ msgid "Force Parallel Methods" #~ msgstr "Prisili paralelne metode" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Napravi \"jezgro\" datoteku nakon kraja" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memorija:" #~ msgid "Diagonalization Method:" #~ msgstr "Metoda dijagonalizacije:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Tip paralelnog balansa opterećenja" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Petlja" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Sljedeća vrijednost" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Koristiti externu reprezentaciju podatka za poruke" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO pročitano ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO spašeno (DICTNRY)" #~ msgid "Skip" #~ msgstr "Preskoči" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Rotiraj alfa i beta orbite" #~ msgid "Print the Initial Guess" #~ msgstr "Printaj inicijalne pogodke" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "GAMESS interfece za druge kodove" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Forsiraj tip trčeče provjere" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK Verzija)" #~ msgid "Solvate with Water" #~ msgstr "Rastopiti sa vodom" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Generiši UHF prirodne orbite" #~ msgid "Direct SCF" #~ msgstr "Direktni SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Računaj samo promjene u prednjoj matrici" #~ msgid "Slater exchange" #~ msgstr "Slaterova zamjena" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 izmjena" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair (VWN5) korelacija" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr korelacija" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater izmjena + VWN korelacija" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE izmjena + VWN5 korelacija" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE izmjena + LYP korelacija" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill 1996 izmjena" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof (PBE) izmjena" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP:Jedno-parametarska progresivna korelacija" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr (LYP) korelacija" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP korelacija" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE izmjena + OP korelacija" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL izmjena + VWN5 korelacija" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL izmjena + LYP korelacija" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE izmjena + VWN6 korelacija" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE izmjena +LYP korelacija" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE izmjena + OP korelacija" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF and BECKE izmjena + LYP korelacija" #~ msgid "Grid-Free" #~ msgstr "bez rešetke" #~ msgid "Duplicated on Each Node" #~ msgstr "Duplicirano na svakom čvoru" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distribuirano preko svih čvorova" #~ msgid "words" #~ msgstr "riječi" #~ msgid "Compute MP2 Properties" #~ msgstr "Računaj MP2 postavke" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Integralno zadržavajuće zasićenje:" #~ msgid "Use Localized Orbitals" #~ msgstr "Koristi lokalizirane orbite" #~ msgid "# of Core Electrons:" #~ msgstr "# jezgrenih elektrona:" #~ msgid "Two Phase Bin Sort" #~ msgstr "Dvo fazni binarni sort" #~ msgid "Segmented Transformation" #~ msgstr "Segmentirana transformacija" #~ msgid "Numeric" #~ msgstr "Brojevi" #~ msgid "Double Differenced Hessian" #~ msgstr "Dvostruko diferentni Hessian" #~ msgid "Print Internal Force Constants" #~ msgstr "Štampaj interne konstante sile" #~ msgid "Displacement Size:" #~ msgstr "Istisna veličina:" #~ msgid "Purify Hessian" #~ msgstr "Pročišćeni Hessian" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Inicijalni Hessian" #~ msgid "Guess (+ define)" #~ msgstr "Pogodak(+ definicija)" #~ msgid "Read (from $HESS)" #~ msgstr "Čitati(iz $HESS)" #~ msgid "Update Step Size" #~ msgstr "Osvježi veličinu koraka" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Printaj orbite na svakoj iteraciji" #~ msgid "Stationary Point" #~ msgstr "Stacionarna tačka" #~ msgid "Initial:" #~ msgstr "Inicijalni:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Optimizacija racionalne funkcije" #~ msgid "Quadratic Approximation" #~ msgstr "Kvadratna aproksimacija" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Limitirana optimizacija" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Ponovo izračunaj Hessian svakih:" #~ msgid "Follow Mode:" #~ msgstr "Mod pratnje:" #~ msgid "Basis:" #~ msgstr "Osnove:" #~ msgid "Z-matrix" #~ msgstr "Z-matrica" #~ msgid "Gaussian Input" #~ msgstr "Gaussian ulaz" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Uobičajeno" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "kontrolna tačka:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-matrica(kompaktna)" #~ msgid "MOLPRO Input" #~ msgstr "MOLPRO ulaz" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Quartet" #~ msgstr "Kvartet" #~ msgid "Quintet" #~ msgstr "Kvintet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem ulaz" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Load Shaders" #~ msgstr "Sjenčenja opterećenja" #~ msgid "Shader Name:" #~ msgstr "Ime osjenčivaća:" #~ msgid "Vertex Shader:" #~ msgstr "Vertex osjenčivać:" #~ msgid "Fragment Shader:" #~ msgstr "Fragmentni osjenčivać:" #~ msgid "Assign Shader" #~ msgstr "Postavi osjenčivać" #~ msgid "Display Type:" #~ msgstr "Tip displeja:" #~ msgid "Change Font..." #~ msgstr "Promijeni font..." #~ msgid "New..." #~ msgstr "Novi..." #~ msgid "Rename..." #~ msgstr "Preimenuj..." #~ msgid "&Schemes:" #~ msgstr "&Sheme:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "Širi&na:" #~ msgid "&Height" #~ msgstr "&Visina" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Koristi optimizovanu vrijednost za veličinu fonta umjesto šematski " #~ "specificirane vrijednosti(ekran za veličinu tačke slike se ne prevodi " #~ "dobro!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Auto podešavanje Veličine Fonta" #~ msgid "&Gaussian Width:" #~ msgstr "&Gussova širina:" #~ msgid "&Label peaks" #~ msgstr "&Vrhovi labele" #~ msgid "&Y Axis Units:" #~ msgstr "&Y jedinice ose:" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Gaussian &Width:" #~ msgstr "Gausova &Širina:" #~ msgid "Reset &Plot Axes" #~ msgstr "Resetuj ose &Plot" #~ msgid "Label Peaks:" #~ msgstr "Vrhovi labele:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Molekularne vibracije" #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "vibracije veće frekvencije će pokazati brže pokrete" #~ msgid "Animation speed set by frequency" #~ msgstr "Brzina animacije postavljena po frekvenciji" #~ msgid "Display force &vectors" #~ msgstr "Prikaži silu &vektora:" #~ msgid "Surface Type:" #~ msgstr "Tip površine" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Niska" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Srednje" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Visoka" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Vrlo visoka" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Tip u displeju:" #~ msgid "New Display" #~ msgstr "Novi displej" #~ msgid "Advanced..." #~ msgstr "Napredno..." #~ msgid "Display visual cues" #~ msgstr "Prikaži vizualne redove" #~ msgid "Python Settings" #~ msgstr "Python postavke" #~ msgid "Z Matrix Editor" #~ msgstr "Uređivač Z matrice" avogadrolibs-1.100.0/i18n/ca.po000066400000000000000000012043061474375334400160530ustar00rootroot00000000000000# translation of _avogadro-ca.po to Catalan (Valencia) # translation of Avogadro to Catalan (Valencian) # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # # Carles Ferrando Garcia , 2009. # Toni Hermoso Pulido , 2009. # victor dargallo , 2023. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: _avogadro-ca\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-13 03:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Catalan \n" "Language: ca\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "El fitxer de referència '%1' no existeix." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, fuzzy, qt-format msgid "%1 Input Generator" msgstr "%1 Entrada del generador" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Continua" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Tanca" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Desconegut" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Hidrogen" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Heli" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Liti" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Beril·li" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Carboni" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Nitrogen" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Oxigen" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neó" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Sodi" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnesi" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Alumini" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silici" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fòsfor" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Sofre" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Clor" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argó" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Potassi" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Calci" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Escandi" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titani" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadi" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Crom" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Manganès" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Ferro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Cobalt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Níquel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Coure" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Zinc" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Gal·li" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germani" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsènic" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Seleni" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Criptó" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidi" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Estronci" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Itri" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirconi" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niobi" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molibdè" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Tecneci" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Ruteni" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rodi" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Pal·ladi" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Argent" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Cadmi" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indi" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Estany" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimoni" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Tel·luri" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Iode" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xenó" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Cesi" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Bari" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantani" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Ceri" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodimi" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodimi" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Prometi" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samari" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europi" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolini" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbi" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Disprosi" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmi" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbi" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Tuli" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Iterbi" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Luteci" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafni" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tàntal" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Tungstè" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Reni" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmi" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridi" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platí" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Or" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Mercuri" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Tal·li" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Plom" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bismut" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Poloni" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Àstat" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radó" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Franci" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radi" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Actini" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Tori" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protoactini" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Urani" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptuni" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutoni" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Americi" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Curi" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkeli" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Californi" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einsteini" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermi" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelevi" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobeli" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Laurenci" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Ruderfordi" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubni" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgi" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bohri" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassi" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitneri" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadi" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Roentgueni" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Copernici" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihoni" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flerovi" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moscovi" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermori" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tennes" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganessó" #: qtgui/filebrowsewidget.cpp:23 #, fuzzy msgid "Browse" msgstr "Navega" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Tots els fitxers" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Títol" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 #, fuzzy msgid "Theory" msgstr "Teoria" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Base" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 #, fuzzy msgid "[no molecule]" msgstr "[sense molècula]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Boles i bastons" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Pel·lícula" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Moment dipolar" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Força" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Etiqueta" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 #, fuzzy #| msgid "QTAIM" msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Filferro" #: qtgui/moleculemodel.cpp:92 #, fuzzy msgid "Untitled" msgstr "sense nom" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Taula periòdica." #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Afegeix un àtom" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Esborra Àtoms" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Ajusta els hidrògens" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Canvia l'element" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Canvia l'element" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Afegeix un enllaç" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 #, fuzzy msgid "Clear Bonds" msgstr "Suprimeix l'enllaç" #: qtgui/rwmolecule.cpp:335 #, fuzzy msgid "Set Bond Orders" msgstr "Ordre de l'enllaç" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Canvia l'orde de l'enllaç" #: qtgui/rwmolecule.cpp:369 #, fuzzy msgid "Update Bonds" msgstr "Dur als enllaços" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 #, fuzzy msgid "Build Super Cell" msgstr "Super cel·la" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Omple la cel·la unitat" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 #, fuzzy #| msgid "&Settings" msgid "Settings" msgstr "Arranjament" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Fitxer" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 #, fuzzy msgid "&Export" msgstr "&Exporta" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Compila" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Alinea" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Eix:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Alinea molècules als eixos cartesians" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 #, fuzzy msgid "Open Output File…" msgstr "Obre el fitxer…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, fuzzy msgid "IO Error" msgstr "Error" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Error" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "Èxit" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "Per Color personalitzat…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "Per Element" #: qtplugins/applycolors/applycolors.cpp:72 #, fuzzy msgid "By Chain" msgstr "Per Cadenes" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy #| msgid "Partial charge" msgid "By Partial Charge…" msgstr "Per Carrega parcial…" #: qtplugins/applycolors/applycolors.cpp:82 #, fuzzy msgid "By Secondary Structure" msgstr "Per l'estructura secundària" #: qtplugins/applycolors/applycolors.cpp:87 #, fuzzy msgid "By Amino Acid" msgstr "Per Aminoàcids" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 #, fuzzy #| msgid "Spectra" msgctxt "colormap" msgid "Spectral" msgstr "Espectre" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Visualitza" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 #, fuzzy msgid "Color Residues" msgstr "Color residu" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Mostra multiples enllaços" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 #, fuzzy msgid "Show hydrogens" msgstr "Mostra hidrògens" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Manipulació de l'enllaç central" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Manipulació de l'enllaç central" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "Voleu detectar els enllaços" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "Enllaç" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 #, fuzzy msgid "Perceive bond orders." msgstr "Voleu detectar els enllaços." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Esquelet proteïc" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Cinta" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Pel·lícula" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Pel·lícula" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 #, fuzzy #| msgid "Maximum Force" msgid "Maximum distance:" msgstr "Distància màxima:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "&Extensions" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #, fuzzy msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 #, fuzzy #| msgid "Other" msgid "Other…" msgstr "Altra…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "Editor de &coordenades…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "Editor de coordenades" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Nom d'element." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Símbol d'element." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Index d'àtoms." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Nombre atòmic." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 #, fuzzy msgid "X coordinate." msgstr "Coordenades X." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 #, fuzzy msgid "Y coordinate." msgstr "Coordenades Y." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 #, fuzzy msgid "Z coordinate." msgstr "Coordenades Z." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Personalitzat" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Entrada turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 #, fuzzy msgid "Copy" msgstr "Copia" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 #, fuzzy msgid "Clear" msgstr "Suprimeix" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 #, fuzzy msgid "Copy As" msgstr "Copia com" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 #, fuzzy msgid "Molecular Dynamics" msgstr "Dinàmica molecular" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 #, fuzzy msgid "Geometry Optimization" msgstr "Optimització de la geometria" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 #, fuzzy msgid "Molecular Mechanics" msgstr "Mecànica molecular" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "CAP" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 #, fuzzy msgid "Conjugate Gradients" msgstr "Gradients conjugats" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 #, fuzzy msgid "Steepest descent" msgstr "Pas descendent" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 #, fuzzy msgid "Build &Supercell…" msgstr "&Super cel·la…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "&Crystal" msgstr "&Cristall" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "Cristall" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Dibuixa" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Dibuixa l'àtom" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Distància:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Senzill" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Doble" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Triple" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 #, fuzzy msgid "&Import" msgstr "&Importa" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Importa des de PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Estructura química a descarregar." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Descàrrega de Xarxa fallida" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Temps de connexió sobrepassat o un altre error." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "La molècula especificada no s'ha trobat: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Importa des de PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 #, fuzzy msgid "Optimize Geometry" msgstr "Optimitza Geometria" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Configura…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy #| msgid "Import Selected Atoms" msgid "Freeze Selected Atoms" msgstr "Fixa els àtoms seleccionats" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "&Calcula" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Energia %1 = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield optimization" msgstr "Optimització del camp de forces" #: qtplugins/forcefield/forcefield.h:50 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" msgstr "Optimització del camp de forces" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "&GAMESS" msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Entrada GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "Energia de punt senzill" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Geometria d'equilibri" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Estat de transició" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Freqüències" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Potencial base" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Aigua" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Doblet" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Dicatió" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Catió" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neutre" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anió" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianió" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "&Ajusta els hidrògens" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Afegeix hidrògens" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Suprimeix hidrògens" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "&Hidrògens" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrògens" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Insereix" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 #, fuzzy #| msgctxt "Ultra-Violet spectrum" #| msgid "UV" msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 #, fuzzy #| msgid "T" msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 #, fuzzy #| msgid "Molecule" msgid "Insert Molecule…" msgstr "Insereix Molècula…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "Molècula…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Cristall…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Insereix un fragment" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Insereix un fragment" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "" "Insereix un fragment molecular per la construcció de molècules llargues" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "color:" #: qtplugins/label/label.cpp:170 #, fuzzy msgid "Distance from center:" msgstr "Distància de centre:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Cap" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "ID únic" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 #, fuzzy msgid "Atom Label:" msgstr "Etiquetes d'àtom:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 #, fuzzy msgid "Residue Label:" msgstr "Etiqueta de residu:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 #, fuzzy #| msgid "&LAMMPS..." msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " "panell d'entrada de Lammps ?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Opacitat:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 #, fuzzy msgid "No descriptors found!" msgstr "No hi ha cap descripció!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipula" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Mesura" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Diedre:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Angle:" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "Angle:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(pendent)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy msgid "&Molecular…" msgstr "&Molecular…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 #, fuzzy msgid "&Analysis" msgstr "&Analític" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Propietats" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Propietats de la molècula" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Propietats de la molècula" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 #, fuzzy msgid "Export CSV" msgstr "Exportar CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 #, fuzzy #| msgid "WFN files (*.wfn);;All files (*.*)" msgid "CSV Files (*.csv);;All Files (*)" msgstr "Fitxers CSV (*.csv);;Tots els fitxers (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 #, fuzzy #| msgid "Could not open file '%1' for writing." msgid "Could not open the file for writing." msgstr "No és pot obrir el fitxer «%1» per escriptura." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy msgid "Export…" msgstr "Exporta…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navega" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Nom químic" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 #, fuzzy #| msgid "°" msgid " °" msgstr "°" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 #, fuzzy msgid "Configure Force Field…" msgstr "Configura el camp de força…" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 #, fuzzy msgid "Perceive Bonds" msgstr "Voleu detectar els enllaços" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Afegeix hidrògens per al pH…" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "Suprimeix hidrògens" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Optimitza Geometria (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "El fitxer trajectòria %1 no concorda amb el nombre d'àtoms de l'actual " "molècula" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Afegeix hidrògens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "Afegeix hidrògens per al pH" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Suprimeix hidrògens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " "panell d'entrada de OpenMM ?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 #, fuzzy msgid "Reference Axes" msgstr "Referència Axes" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Atura" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 #, fuzzy msgid "Dynamic bonding?" msgstr "Enllaços dinàmics" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "fitxers de vídeo (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 #, fuzzy msgid "Save File" msgstr "Desa el fitxer" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "València" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "Color" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Àtom" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Tipus" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "Àtom inicial" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Àtom final" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Ordre d'enllaç" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Llargada (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 #, fuzzy msgid "Chain" msgstr "Cadenes" #: qtplugins/propertytables/propertymodel.cpp:556 #, fuzzy msgid "Secondary Structure" msgstr "Estructura Secundària" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Àtom 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Vèrtex" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Àtom 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Angle (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Àtom 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Àtom 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "Hèlix" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "Hèlix" #: qtplugins/propertytables/propertymodel.cpp:939 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "Fulla" #: qtplugins/propertytables/propertymodel.cpp:941 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Hèlix 3-10" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "Propietats d'Àtom…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "Propietats d'enllaç…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Propietats d'angle…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy #| msgid "Torsion Properties" msgid "Torsion Properties…" msgstr "Propietats de la torsió…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "Finestra per mostrar l'àtom, enllaços, angles i propietats de torsió." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Propietats" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Propietats d'Àtom" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Propietats d'enllaç" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Propietats d'angle" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Propietats de la torsió" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Propietats de l'estereoisòmer" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Genera primitives utilitzant propietats QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Obre el fitxer WFN" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Fitxers WFN (*.wfn);;Tots els fitxers (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Extensió QTAIM" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "Inicialització" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 #, fuzzy #| msgid "Color by Element" msgid "Select by Element…" msgstr "Seleccionar per element…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Residue…" msgstr "Selecciona per residu…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Selecciona" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" msgstr "Selecciona residu" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "Selecciona" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Selecció" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Omple la cel·la unitat…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgid "Spectra" msgid "Spectra" msgstr "Espectre" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "Infraroig" #: qtplugins/spectra/spectradialog.cpp:440 #, fuzzy #| msgctxt "Raman spectrum" #| msgid "Raman" msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 #, fuzzy #| msgid "electron" msgid "Electronic" msgstr "electró" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 #, fuzzy #| msgid "&Density Of States Settings" msgid "Density of States" msgstr "Densitat dels estats" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Selecciona el color de fons" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Selecciona el color del primer pla" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "Selecciona el color de l'espectre calculat" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "Selecciona el color de l'espectre importat" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 #, fuzzy #| msgid "Wavenumber (cm-1)" msgid "Wavenumbers (cm⁻¹)" msgstr "Nombre d'ona (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 #, fuzzy #| msgid "Intensities" msgid "Intensity" msgstr "Intensitats" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 #, fuzzy #| msgid "Shift (ppm)" msgid "Chemical Shift (ppm)" msgstr "Desplaçament (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Energia (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Simetria" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Estat" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Orbital molecular" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Densitat d'electrons" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Create Surfaces" msgid "Create Surfaces…" msgstr "Crea Superfície…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 #, fuzzy msgid "Calculating electron density" msgstr "Calculant la densitat d'electrons" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Superfícies" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 #, fuzzy #| msgid "Symmetry" msgid "Symmetry…" msgstr "Simetria…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, fuzzy, qt-format msgid "Group %1" msgstr "Grup %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "Vibració" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, fuzzy, qt-format #| msgid "MOPAC failed to start." msgid "Error: %1 failed to start" msgstr "%1 no s'ha executat" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Diàleg" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Forma" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "Insereix un fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filtre:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Escriviu un nom o part d'un nom per mostrar només els fitxers coincidents." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Insereix" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Camp de força:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Èxit!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) #, fuzzy msgid "Load Structure File" msgstr "Estrcutura:" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial charge" msgid "Partial Charges" msgstr "Carrega parcial" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formata:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Aplica" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Reinicia-ho tot" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Paràmetres per defecte" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Desa el fitxer…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "Configuració &bàsica" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Títol:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Calcula" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Mètode:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opcions de la super cel·la" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Repetició A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Repetició B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Repetició C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Oculta" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Etiqueta de text" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Ordre d'enllaç:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Entrada GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Entrada:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicitat:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Amb:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Càrrega:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nom" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) #, fuzzy #| msgid "Nucleus:" msgid "Nucleic Acids:" msgstr "Àcids nucleics:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy #| msgid "G" msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy #| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other" msgid "Other" msgstr "Altra" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Senzill" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Doble" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "real" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metall" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "electró" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Potencial hídric" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Estil de l'àtom" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "angle" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atòmic" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "enllaç" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "càrrega" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipol" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "el·lipsoide" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "complet" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "línia" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "mol·lecular" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "esfera" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "paquet d'ones" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Especifiqueu el nom a emprar per al fitxer de coordenades." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Fitxer de dades de coordenades" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Conjunt" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperatura" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Seleccioneu el nombre de cadenes Nosé-Hoover del conjunt NVT." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "Cadenes NH" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Interval de temps de la simulació en unitats segons l'especificació " "Unitats\"." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Interval de temps" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Nom del fitxer XYZ a escriure durant la simulació." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Bolcat XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Nombre de dimensions del sistema" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensions" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Canvia l'estil del límit Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "fm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Canvia l'estil del límit Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Canvia l'estil del límit X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) #, fuzzy #| msgid "Select bondary Styles in X, Y and Z directions." msgid "Select boundary Styles in X, Y and Z directions." msgstr "Selecciona l'estil del límit en les direccions X, Y i Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Límit" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Nombre de replicants en les direccions X, Y i Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Replica" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Replica la direcció X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Replica la direcció Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Replica la direcció Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Nombre total d'intervals de temps per executar la simulació." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Total d'intervals" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Estableix les velocitats inicials dels àtoms per a la simulació." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Velocitats inicials" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Seleccioneu la distribució de les velocitats inicials dels àtoms" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussiana" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "uniforme" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" "Estableix les velocitats inicials dels àtoms per fer-les coincidir amb " "aquesta temperatura." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Elimina de les velocitats inicials el moment lineal del sistema." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Moment lineal zero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Elimina de les velocitats inicials el moment angular del sistema." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Moment angular zero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Controla la sortida termodinàmica durant la simulació" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Interval de sortida" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Estil de la sortida termodinàmica" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Una línia" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Multilínia" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Utilitza la forma" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Tradueix per:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Origen" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "Eix X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Eix Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Eix Z" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Cerca d'estereoisòmers" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Mètode" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Number of conformers" msgid "Number of conformers:" msgstr "Nombre d'estereoisòmers:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Cerca sistemàtica de rotors" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Cerca de rotors aleatòria" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Cerca de rotors depenent de la massa" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Pas descendent" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Camp de força:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Referència" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Senzill" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Doble" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Restriccions:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Temperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Energía total" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Longitud d'ona:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Radi del punt crític:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Radi del camí de l'enllaç:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalent" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Mida constant" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy #| msgid "Frequency Scale Factor:" msgid "Scale Factor:" msgstr "Factor d'escala:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Width:" msgid "Peak Width:" msgstr "Amplada:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) #, fuzzy #| msgid "Threshold:" msgid "Peak Threshold:" msgstr "Llindar:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Aparença" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Visualitza" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" "Importa un tsv del espectre experimental per sobreescriure en la funció." #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Importa..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Estableix el color..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Espectre importat:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Exporta..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Fons:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Export Calculated Spectrum" msgid "Calculated Spectra:" msgstr "Espectres calculats:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy #| msgid "10e-" msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Exporta dades" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Tanca" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Controls:\n" "Clic doble esquerra: Restaura els límits dels eixos per defecte\n" "Clic dret + arrossega: Mou la funció\n" "Botó del mig + arrossega: Amplia la regió\n" "Desplaçament de la roda: Amplia el cursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "Carrega &dades..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Qualitat: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Baix" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Mitjà" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Alt" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Molt alt" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Crea Superfície" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Color de:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy #| msgctxt "Electrostatic potential surface type" #| msgid "Electrostatic Potential" msgid "Electrostatic Potential" msgstr "Potencial electrostàtic" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolució:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Valor de la isosuperfície :" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " K" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Llum" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calcula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molècula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "1: Linear" msgstr "Lineal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "2: Linear" msgstr "Lineal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "Tipus:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Grups" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Grup:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitud:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #, fuzzy msgid "Start Animation" msgstr "Inicia Animació" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) #, fuzzy msgid "Stop Animation" msgstr "Atura Animació" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) #, fuzzy msgid " eV" msgstr "eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) #, fuzzy #| msgid "" #| "\n" #| "\n" #| "

      " msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" "\n" "\n" "

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Toni Hermoso Pulido,carles ferrando,el_libre " "XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Geoff Hutchison,Toni " "Hermoso Pulido,carles ferrando,el_libre XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ," "Launchpad Contributions:,Avogadro Team, ,Launchpad Contributions:,Avogadro " "Team,Geoff Hutchison,el_libre XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad " "Contributions:,Avogadro Team,Geoff Hutchison,el_libre - http://www.catmidia." "cat XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Avogadro Team," "David Planella,Geoff Hutchison,el_libre - http://www.catmidia.cat " "XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Avogadro Team,David " "Planella,Geoff Hutchison,el_libre - http://www.catmidia.cat " "XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Avogadro Team,David " "Planella,Geoff Hutchison,el_libre - http://www.catmidia.cat " "XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Avogadro Team,David " "Planella,Geoff Hutchison,el_libre - http://www.catmidia.cat " "XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Avogadro Team,David " "Planella,Geoff Hutchison,carles ferrando,el_libre - http://www.catmidia.cat " "XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Avogadro Team,David " "Planella,Geoff Hutchison,carles ferrando,el_libre - http://www.catmidia.cat " "XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Avogadro Team,Carles," "David Planella,Geoff Hutchison,Marc Coll Carrillo,el_libre - http://www." "catmidia.cat XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:," "Avogadro Team,Carles,David Planella,Geoff Hutchison,Marc Coll Carrillo," "el_libre - http://www.catmidia.cat XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad " "Contributions:,Avogadro Team,Carles,David Planella,Geoff Hutchison,Marc Coll " "Carrillo,el_libre - http://www.catmidia.cat XDDDDDDDDDDDDDDDDDDDDDDDDDDD" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,toniher@softcatala.cat,,el.libre@gmail.com,,,,toniher@softcatala.cat,,el." "libre@gmail.com,,,avogadro-devel@lists.sourceforge.net,,,avogadro-" "devel@lists.sourceforge.net,,el.libre@gmail.com,,,avogadro-devel@lists." "sourceforge.net,,el.libre@gmail.com,,,avogadro-devel@lists.sourceforge.net,,," "el.libre@gmail.com,,,avogadro-devel@lists.sourceforge.net,david." "planella@ubuntu.com,,el.libre@gmail.com,,,avogadro-devel@lists.sourceforge." "net,david.planella@ubuntu.com,,el.libre@gmail.com,,,avogadro-devel@lists." "sourceforge.net,david.planella@ubuntu.com,,el.libre@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,david.planella@ubuntu.com,,,el.libre@gmail.com,,," "avogadro-devel@lists.sourceforge.net,david.planella@ubuntu.com,,,el." "libre@gmail.com,,,avogadro-devel@lists.sourceforge.net,,david." "planella@ubuntu.com,,,el.libre@gmail.com,,,avogadro-devel@lists.sourceforge." "net,,david.planella@ubuntu.com,,,el.libre@gmail.com,,,avogadro-devel@lists." "sourceforge.net,,david.planella@gmail.com,,,el.libre@gmail.com" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #, fuzzy #~ msgid "eV)" #~ msgstr "eV" #, fuzzy #~| msgid "Partial charge" #~ msgid "Partial Charge" #~ msgstr "Carrega parcial" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animació" #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals" #~ msgid "Geometry" #~ msgstr "Geometria" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Omple la cel·la unitat" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Index d'àtoms" #, fuzzy #~ msgid "By Distance" #~ msgstr "Distància" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Index d'àtoms" #, fuzzy #~ msgid "&Copy" #~ msgstr "Copia-ho tot" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "Nom de la molècula IUPAC:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Massa molecular (g/mol)" #~ msgid "Chemical Formula:" #~ msgstr "Formula química:" #~ msgid "Number of Atoms:" #~ msgstr "Número d'àtoms:" #~ msgid "Number of Bonds:" #~ msgstr "Número d'enllaços:" #~ msgid "TODO" #~ msgstr "PER FER" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Mida del salt:" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "Optimització" #, fuzzy #~ msgid "In." #~ msgstr "Entrada:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragment..." #, fuzzy #~| msgid "DFT Functional:" #~ msgid "Functional Groups" #~ msgstr "Funció DFT:" #~ msgid "Other..." #~ msgstr "Altre..." #, fuzzy #~ msgid "Filename" #~ msgstr "Nom de fitxer:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Estrcutura:" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navega" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navega" #~ msgid "OK" #~ msgstr "D'acord" #~ msgid "Cancel" #~ msgstr "Cancel·la" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Nom d'element" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Tots els fitxers" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Romboèdric" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molècula" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "No està configurada la molècula" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Cristall..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Afegeix hidrògens per al pH..." #~ msgid "Atom Properties..." #~ msgstr "Propietats dels àtoms..." #~ msgid "Bond Properties..." #~ msgstr "Propietats dels enllaços..." #~ msgid "Angle Properties..." #~ msgstr "Propietats d'Angle" #~ msgid "Torsion Properties..." #~ msgstr "Propietats de torsió…" #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Propietats de la molècula..." #~ msgid "Create Surfaces..." #~ msgstr "Crea superfícies..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Simetria" #~ msgid "Insert Fragment..." #~ msgstr "Insereix un fragment…" #~ msgid "Theory:" #~ msgstr "Teoria:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Distància (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Angular" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Estereoisòmer %1\n" #~ "Longitud %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Estereoisòmer %1\n" #~ "Angle %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angle %1" #~ msgid "Angle" #~ msgstr "Angle" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Estereoisòmer %1\n" #~ "Torsió %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsió %1" #~ msgid "Torsion" #~ msgstr "Torsió" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energia (kJ/mol)" #~ msgid "Yes" #~ msgstr "Sí" #~ msgid "No" #~ msgstr "No" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Entrada del generador..." #, fuzzy #~ msgid "Import" #~ msgstr "Importa" #~ msgid "Insert SMILES" #~ msgstr "Insereix SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Insereix un fragment SMILES:" #~ msgid "Insert Crystal" #~ msgstr "Insereix cristall" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "" #~ "Insereix un fragment molecular per la construcció de molècules llargues" #~ msgid "E&xtensions" #~ msgstr "E&xtensions" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimitza Geometria" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Optimització geomètrica" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Afegeix hidrògens" #, fuzzy #~ msgid "Stopped" #~ msgstr "Atura" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Superfícies" #~ msgid "Color by Index" #~ msgstr "Color per índex" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Color per índex (vermell, taronja, groc, verd, blau, violeta)" #~ msgid "Color by Partial Charge" #~ msgstr "Color per càrrega parcial" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Color per càrrega parcial atòmica (blau = positiva, vermell = negativa)" #~ msgid "Custom Color:" #~ msgstr "Color personalitzat:" #~ msgid "Set custom colors for objects" #~ msgstr "Tria els colors personalitzats per als objectes" #~ msgid "Color by Distance" #~ msgstr "Color per distància" #~ msgid "Color by distance from the first atom." #~ msgstr "Color per distància des del primer àtom." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Color per element (carboni = gris , oxigen = vermell, … )." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Color per residu (tipus d'aminoàcid, hidrofobicitat, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "Patró SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Color ressaltat:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Color del patró SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "" #~ "Color ressaltat de les característiques particulars amb concordança amb " #~ "el patró SMARTS." #~ msgid "Ununtrium" #~ msgstr "Ununtri" #~ msgid "Ununpentium" #~ msgstr "Ununpenti" #~ msgid "Ununseptium" #~ msgstr "Ununsepti" #~ msgid "Ununoctium" #~ msgstr "Ununocti" #~ msgid "Engines" #~ msgstr "Motors" #~ msgid "Axes" #~ msgstr "Eixos" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "" #~ "Representa les primitives utilitzant boles (àtoms) i bastons (enllaços)" #~ msgid "Dipole" #~ msgstr "Dipol" #~ msgid "Hydrogen Bond" #~ msgstr "Enllaç d'hidrogen" #~ msgid "Renders hydrogen bonds" #~ msgstr "Representa els enllaços d'hidrogen" #~ msgid "Select Atom Labels Color" #~ msgstr "Selecciona les etiquetes de color dels àtoms" #~ msgid "Select Bond Labels Color" #~ msgstr "Selecciona les etiquetes de color dels enllaços" #~ msgid "Select Bond Labels Font" #~ msgstr "Selecciona les etiquetes de la font dels enllaços" #~ msgid "Polygon" #~ msgstr "Polígon" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Representa àtoms com tetraedres, octaedres i altres polígons" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Representa esquelet proteic com cintes" #~ msgid "Ring" #~ msgstr "Anell" #~ msgid "Renders rings with colored planes" #~ msgstr "Representa anells amb plans colorejats" #~ msgid "Simple Wireframe" #~ msgstr "Filferro senzill" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Representa els enllaços com línies, ideal per molècules llargues." #~ msgid "Van der Waals Spheres" #~ msgstr "Esferes de Van der Waals" #~ msgid "Stick" #~ msgstr "Bastons" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Densitat electrònica, isosuperfície= %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosuperfície = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Representa enllaços com línies (simplificades), ideal per biomolècules " #~ "molt grans" #~ msgid "Trajectory files" #~ msgstr "Fitxers de trajectoria" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Fitxers DL-POLY HISTORY" #~ msgid "Open Trajectory File" #~ msgstr "Obre fitxer de trajectòria" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Afegeix l'extensió .avi" #~ msgid "Animation..." #~ msgstr "Animació…" #~ msgid "Cannot read file format of file %1." #~ msgstr "No es pot llegir el format del fitxer %1" #~ msgid "Read trajectory file %1 failed." #~ msgstr "S'ha produït un error en llegir el fitxer %1 de trajectòria." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Cal especificar un nom .avi vàlid" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "El giny GL no s'ha inicialitzat de forma correcta per a desar el vídeo" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "El nom de fitxer del vídeo no és vàlid. Cal incloure el camí del " #~ "directori complet" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "El nom de fitxer del vídeo no és vàlid. Cal incloure el camí del " #~ "directori complet i el nom, acabat en .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "No es pot determinar el format del fitxer de nom: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Anima trajectòries, reaccions i vibracions." #~ msgid "Cartesian Editor" #~ msgstr "Editor cartesià" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "No hi ha cel·la unitària definida per la molècula -- no es poden " #~ "utilitzar coordinades fraccionaries." #~ msgid "Cartesian Editor..." #~ msgstr "Editor cartesià..." #~ msgid "Cartesian editor" #~ msgstr "Editor cartesià" #~ msgid "Number of atoms: %1" #~ msgstr "Nombre d'àtoms: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Nombre d'enllaços angulars: %1" #~ msgid "Add constraint" #~ msgstr "Afigeix una restricció" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "La vostra molècula ha de contindre al menys un àtom per a afegir-hi una " #~ "restricció" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "La vostra molècula ha de contindre al menys dos àtoms per a afegir-hi una " #~ "restricció d'enllaç" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "La vostra molècula ha de contindre al menys tres àtoms per a afegir-hi " #~ "una restricció angular" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "La vostra molècula ha de contindre al menys quatre àtoms per a afegir-hi " #~ "una restricció de torsió" #~ msgid "&Crystallography" #~ msgstr "Cristal·lografia" #~ msgid "&Length Unit" #~ msgstr "Unitat de &longitud" #~ msgid "&Angle Unit" #~ msgstr "Unitat d'&angle" #~ msgid "Show &Editors" #~ msgstr "Mostra els &editors" #~ msgid "Undefined" #~ msgstr "no definit" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triclínic" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoclínic" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ortoròmbic" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonal" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Cúbic" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanòmetre" #~ msgid "&Picometer" #~ msgstr "&Picòmetre" #~ msgid "&Degree" #~ msgstr "&Grau" #~ msgid "&Radian" #~ msgstr "&Radian" #~ msgid "Crystallography" #~ msgstr "Cristal·lografia" #~ msgid "Cartesian Coordinates" #~ msgstr "Coordenades cartesianes" #~ msgid "Working..." #~ msgstr "S'està treballant..." #~ msgid "Build" #~ msgstr "Construeix" #~ msgid "Please select one or more atoms." #~ msgstr "Si us plau, seleccioneu un o més àtoms" #~ msgid "Trajectory..." #~ msgstr "Trajectòria..." #~ msgid "Open chemical file format" #~ msgstr "Obre un format de fitxer químic" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Fitxers químics (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Obre un fitxer de paràmetres" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Fitxers químics (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importa una trajectòria" #~ msgid "Import trajectory files" #~ msgstr "Importa fitxers de trajectòria" #~ msgid "Calculate Energy" #~ msgstr "Calcula l'energia" #~ msgid "Conformer Search..." #~ msgstr "Cerca d'estereoisòmers..." #~ msgid "Constraints..." #~ msgstr "Restriccions..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "No es pot establir el camp de forces per aquesta molècula. Canviant a UFF" #~ msgid "Geometric Optimization" #~ msgstr "Optimització geomètrica" #~ msgid "Systematic Rotor Search" #~ msgstr "Cerca sistemàtica del gir" #~ msgid "Random Rotor Search" #~ msgstr "Cerca aleatòria del gir" #~ msgid "Weighted Rotor Search" #~ msgstr "Cerca promediada del gir" #~ msgid "ForceField" #~ msgstr "Camp de forces" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimitza molècules i genera estereoisòmers utilitzant camps de força de " #~ "mecànica molecular" #~ msgid "&Vector Graphics..." #~ msgstr "&Gràfic vectorial..." #~ msgid "Common vector image formats" #~ msgstr "Formats comuns d'imatges vectorials" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Change H to Methyl" #~ msgstr "Canvia d'H a metil" #~ msgid "H to Methyl" #~ msgstr "H a metil" #~ msgid "H2Methyl" #~ msgstr "H2metil" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transforma hidrògens en grups metil" #~ msgid "Add or remove hydrogens" #~ msgstr "Afegeix o suprimeix hidrògens" #~ msgid "Peptide..." #~ msgstr "Pèptid" #~ msgid "Insert oligopeptide sequences" #~ msgstr "Insereix un seqüència d'oligopeptids" #~ msgid "Invert Chirality" #~ msgstr "Quiralitat invertida" #~ msgid "InvertChiral" #~ msgstr "Inversióquiral" #~ msgid "Invert chiral centers" #~ msgstr "Centres d'inversió quiral" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "desconegut" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Moment dipolar estimat (D):" #~ msgid "Fetch by chemical name..." #~ msgstr "Importa per nom químic" #~ msgid "Fetch from URL..." #~ msgstr "Importa des de URL..." #~ msgid "PDB Entry" #~ msgstr "Entrada PDB (base de dades de proteïnes)" #~ msgid "PDB entry to download." #~ msgstr "Entrada PDB a descarregar." #~ msgid "URL" #~ msgstr "Adreça URL" #~ msgid "URL of molecule to download." #~ msgstr "Adreça URL de la molècula a descarregar." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "La molècula especificada no s'ha carregat: %1" #~ msgid "Network Fetch" #~ msgstr "Importa la xarxa" #~ msgid "Fetch molecule files over the network." #~ msgstr "Posa els fitxers molecular sobre la xarxa." #~ msgid "Show Preview" #~ msgstr "Mostra la previsualització" #~ msgid "Hide Preview" #~ msgstr "Amaga la previsualització" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Desa la imatge de POV-Ray generada" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Fitxers d'imatge (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "No s'ha proporcionat cap nom de fitxer vàlid." #~ msgid "Does not compute." #~ msgstr "No concorda." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "No heu demanat cap generació POV-Ray i no podeu utilitzar cap fitxer POV-" #~ "Ray. Així no podreu desar cap resultat. Esteu segur que això és el que " #~ "voleu ?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "No es pot escriure al fitxer %1. Esteu segurs de tindre permís " #~ "d'escriptura en aquest lloc?" #~ msgid "POV-Ray failed to start." #~ msgstr "S'ha produït un error en iniciar el POV-Ray." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "S'ha produït un error en iniciar el POV-Ray. Tal vegada podríeu comprovar " #~ "el camí a l'executable." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Crea fitxers POV-Ray i representa'ls utilitzant el programa d'ordres POV-" #~ "Ray." #~ msgid "Conformer Properties..." #~ msgstr "Propietats de l'estereoisòmer..." #~ msgid "Python Terminal" #~ msgstr "Terminal de python" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Terminal interactiu de guions de python" #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Avís del generador de fitxers d'entrada Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " #~ "panell de visualització de fitxers d'entrada dalton ?" #~ msgid "QM Matches" #~ msgstr "Concordances QM" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Selecció EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Selecció QM..." #~ msgid "Delete" #~ msgstr "Suprimeix" #~ msgid "You must make a selection!" #~ msgstr "Cal que feu una selecció" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "La conversió SMILES no és disponible" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "El format de conversió SMILES no és disponible !" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Crea fitxers d'entrada per al paquet químic quàntic GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "La configuració avançada ha canviat" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "La configuració avançada ha canviat. \n" #~ "Voleu descartar-ne els canvis ?" #~ msgid "Advanced Settings Reset" #~ msgstr "Reinicialització de la configuració avançada" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Esteu segurs de voler reinicialitzar la configuració ? \n" #~ "Tots els canvis es perdran!" #~ msgid "Basic Settings Reset" #~ msgstr "Reinicialització de la configuració bàsica" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Esteu segurs de voler reinicialitzar la configuració bàsica? \n" #~ "Tot els canvis es perdran!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Avís del generador d'entrada GAMESS-UK" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " #~ "panell d'entrada GAMESS-UK ?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Entrada GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Avís del generador d'entrada Gaussiana" #~ msgid "Gaussian Input Deck" #~ msgstr "Entrada Gaussiana" #~ msgid "Gaussian Running." #~ msgstr "Execució Gaussiana" #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "La Gaussiana s'està executant. Espereu fins que els càlculs previs hagin " #~ "finalitzat." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussià no instal·lat" #~ msgid "The G03 executable, cannot be found." #~ msgstr "L'executable G03 no s'ha trobat." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "" #~ "G03 no s'ha iniciat. Tal vegada no s'ha instal·lat de forma correcta." #~ msgid "Running Gaussian calculation..." #~ msgstr "Executant càlcul Gaussià..." #~ msgid "G03 Crashed." #~ msgstr "G03 Trencat." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "La Gaussiana no s'ha executat bé. Tal vegada no s'ha instal·lat de forma " #~ "correcta." #~ msgid "&Abinit..." #~ msgstr "&ABINIT..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussià..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Avís de generador d'entrada Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " #~ "panell d'entrada Molpro?" #~ msgid "Molpro Input Deck" #~ msgstr "Entrada Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Avís d'entrada MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Entrada MOPAC" #~ msgid "MOPAC Running." #~ msgstr "Executant MOPAC" #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC està executant-se. Espereu fins que els càlculs hagin acabat." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC no instal·lat" #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "L'executable MOPAC, no és pot trobar." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC no s'ha iniciat. Tal vegada no està correctament instal·lat" #~ msgid "Running MOPAC calculation..." #~ msgstr "Executant el càlcul MOPAC..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC s'ha trencat." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC no s'executa correctament. Tal vegada no està correctament " #~ "instal·lat" #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Avís de generador d'entrada NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " #~ "panell d'entrada NWChem ?" #~ msgid "NWChem Input Deck" #~ msgstr "Entrada NWChem" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Avís del generador d'entrades Q-Chem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " #~ "panell d'entrada de Q-Chem ?" #~ msgid "QChem Input Deck" #~ msgstr "Entrada QChem" #~ msgid "Select SMARTS..." #~ msgstr "Selecciona SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Afegeix una selecció per nom..." #~ msgid "SMARTS Selection" #~ msgstr "Selecció SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Patró SMART a seleccionar" #~ msgid "There is no current selection." #~ msgstr "Ni hi ha cap selecció actual." #~ msgid "Add Named Selection" #~ msgstr "Afegeix una selecció per nom" #~ msgid "Name cannot be empty." #~ msgstr "El nom no pot estar buit." #~ msgid "There is already a selection with this name." #~ msgstr "Ja hi ha una selecció amb aquest nom." #~ msgid "Selections" #~ msgstr "Seleccions." #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Selecciona àtoms, enllaços, residus..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL Shaders..." #~ msgid "Open a vertex shader source file" #~ msgstr "Obre un fitxer font de vertex shader" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Fitxers de vertex shader (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Obre un fitxer font de fragment shader" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fitxers de fragment shader (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Obre un fitxer de paràmetres shader" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Fitxers de paràmetres shader (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL Shaders" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Carrega i utilitza OpenGL 2.0 GLSL shader" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensitat (unitats arbitraries)" #~ msgid "Density of States (states/cell)" #~ msgstr "Densitat dels estats (estat/cel.la)" #~ msgid "Density of States (states/atom)" #~ msgstr "Densitat dels estats (estat/àtom)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Densitat dels estats (estat/electró de valència)" #~ msgid "Transmittance (%)" #~ msgstr "Transmitància (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbància (%)" #~ msgid "No intensities" #~ msgstr "Cap intensitat" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "La dada de vibració per la molècula que heu carregat no conté cap " #~ "intensitat. Les intensitats s'han establert a un valor arbitrari per la " #~ "seva visualització." #~ msgid "Activity" #~ msgstr "Activitat" #~ msgid "X Axis" #~ msgstr "Eix X" #~ msgid "Y Axis" #~ msgstr "Eix Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Paràmetres de l'espectre &infraroig" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "RMN" #~ msgid "&NMR Spectra Settings" #~ msgstr "Paràmetres espectre RMN" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "Densitats dels estats" #~ msgid "&UV Settings" #~ msgstr "Paràmetres &UV" #~ msgid "&CD Settings" #~ msgstr "Paràmetres &CD" #~ msgid "&Raman Settings" #~ msgstr "Paràmetres &Raman" #~ msgid "No data" #~ msgstr "Sense dades" #~ msgid "Dark" #~ msgstr "Fosc" #~ msgid "Publication" #~ msgstr "Publicació" #~ msgid "Handdrawn" #~ msgstr "Dibuix a ma" #~ msgid "New Scheme" #~ msgstr "Nou esquema" #~ msgid "Confirm Scheme Removal" #~ msgstr "Confirma eliminació d'esquema" #~ msgid "Really remove current scheme?" #~ msgstr "Vols esborrar l'esquema actual?" #~ msgid "Change Scheme Name" #~ msgstr "Canvia Nom d'esquema" #~ msgid "Enter new name for current scheme:" #~ msgstr "Escriu nou nom per a l'esquema actual:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Valors separats per tabulador (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Valors separats per tabulador" #~ msgid "Comma Separated Values" #~ msgstr "Valors separats per coma" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Espectre importat" #~ msgid "Unknown extension: %1" #~ msgstr "Extensió desconeguda: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "Dada IR PWscf (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Dada IR turbomole (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Dada UV turbomole (espectre)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Dada CD turbomole (espectre cd)" #~ msgid "Data Format" #~ msgstr "Format de dada" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format:" #~ msgid "Load Spectral Data" #~ msgstr "Carrega les dades espectrals" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "El fitxer turbomole CD s'ha formatat de forma incorrecta: %1" #~ msgid "Portable Network Graphics" #~ msgstr "PNG" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "TIFF" #~ msgid "Windows Bitmap" #~ msgstr "Mapa de bits de Windows" #~ msgid "Portable Pixmap" #~ msgstr "Pixmap portable" #~ msgid "X11 Bitmap" #~ msgstr "Bitmap X11" #~ msgid "X11 Pixmap" #~ msgstr "Pixmap X11" #~ msgid "Save Spectra Image" #~ msgstr "Desa la imatge de l'espectre" #~ msgid "Image successfully written to %1" #~ msgstr "Imatge gravada amb èxit al %1" #~ msgid "&Advanced <<" #~ msgstr "&Avançat <<" #~ msgid "&Advanced >>" #~ msgstr "&Avançat >>" #~ msgid "&Spectra..." #~ msgstr "&Espectre..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Visualitza les dades espectrals dels càlculs químics quàntics" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Anàlisis vibracional" #~ msgid "No vibrational displacements exist." #~ msgstr "No existeixen dislocaments vibracionals." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Mostra els modes vibracionals per als càlculs químics quàntics" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Sortida %1 vibracions per freqüència..." #~ msgid "Pause" #~ msgstr "Pausa" #~ msgid "Super Cell Builder..." #~ msgstr "Constructor de super cel·les ..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Aquest document és d'una molècula aïllada. Necessiteu crear una cel·la " #~ "unitat." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Construeix i visualitza super cel·les cristal·logràfiques" #~ msgid "Molecular Orbitals..." #~ msgstr "Orbitals moleculars..." #~ msgid "Orbitals" #~ msgstr "Orbitals" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Res" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Densitat electrònica" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Error - tipus no definit" #~ msgid "Calculating VdW Cube" #~ msgstr "Calculant el cub VdW" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Calculant MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "" #~ "Les superfícies de potencial electrostàtic encara no estan implementades." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Calcula orbitals moleculars i altres superfícies" #~ msgid "&Nanotube Builder..." #~ msgstr "Constructor de &nanotubs..." #~ msgid "Nanotube Builder" #~ msgstr "Constructor de nanotubs" #~ msgid "Building..." #~ msgstr "S'està construint..." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "El estri GL no està correctament inicialitzat per enregistrar un vídeo" #~ msgid "GL widget has no molecule" #~ msgstr "El estri GL no té cap molècula" #~ msgid "Building video " #~ msgstr "Codificant vídeo " #~ msgid "Could not run mencoder." #~ msgstr "No funciona mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Configura la relació d'aspecte" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "L'actual escena d'Avogadro té %1x%2 pixels d'ample i tanmateix té relació " #~ "d'aspecte %3.\n" #~ "Podeu utilitzar aquest valor, per exemple per utilitzar POV-Ray per " #~ "produir una imatge de %4x1000 pixels , o podeu entrar un altre valor " #~ "positiu, \n" #~ "per exemple 1 si voleu utilitzar POV-Ray per produir una imatge quadrada " #~ "de d'aproximadament 1000x1000 pixels." #~ msgid "Connect" #~ msgstr "Connecta" #~ msgid "Disconnect" #~ msgstr "Desconnecta" #~ msgid "&WiiTrack" #~ msgstr "Pista&Wii" #~ msgid "Wii Tracking" #~ msgstr "Seguiment Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Moviment de tracció utilitzant Wii remotes" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Contexte OpenGL no vàlid. \n" #~ "Alguna cosa està completament trencada en la configuració OpenGL (podeu " #~ "executar alguna altre aplicació ?), o heu trobat un bug." #~ msgid "Debug Information" #~ msgstr "Informació desenvolupament" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Visualitza mida: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Àtoms: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: índex %1 fora de rang." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "El tipus de fitxer «%1» no té suportada la lectura." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "El tipus de fitxer per al fitxer «%1» no té suportada la lectura." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "" #~ "La lectura de la molècula amb índex %1 des del fitxer «%2» ha tingut " #~ "errades." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "Substitució de la molècula: índex %1 fora de rang." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "El tipus de fitxer «%1» no suporta l'escriptura." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "El tipus de fitxer per al fitxer «%1» no té suportada l'escriptura." #~ msgid "Could not open file '%1' for reading." #~ msgstr "No és pot obrir el fitxer «%1» per lectura." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "" #~ "La substitució de la molècula amb índex %1 al fitxer «%2» ha tingut " #~ "problemes." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "No es pot obrir el fitxer %1 per lectura." #~ msgid "File %1 can not be opened for writing." #~ msgstr "El fitxer %1 no és pot obrir per escriure-hi." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "El desat del fitxer molecular ha fallat - no és pot reanomenar el fitxer " #~ "original." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "El desat del fitxer molecular ha fallat - no és pot reanomenar el fitxer " #~ "nou." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "El desat del fitxer molecular ha fallat - no és pot reanomenar el fitxer " #~ "antic." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Ha fallat escriure una molècula al fitxer «%1». La funció OpenBabel ha " #~ "fallat." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "El fitxer %1 no és pot obrir per escriure-hi." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Ha fallat l'escriptura dels estereoisòmers al fitxer «%1»." #~ msgid "Molecule %1" #~ msgstr "Molècula %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Giny de python desconegut" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: comprobació " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - el guió no té cap 'Engine' class definit" #~ msgid " - no module" #~ msgstr " - no mòdul" #~ msgid "Unknown Python Extension" #~ msgstr "Extensió Python desconeguda" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: comprovant " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - el script no té cap 'Extension' class definit" #~ msgid "Unknown Python Tool" #~ msgstr "Eina de Python desconeguda" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: comprovant " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - el script no té cap 'Tool' class definida" #~ msgid "Conformer %1" #~ msgstr "Estereoisòmer %1" #~ msgid "Tools" #~ msgstr "Eines" #~ msgid "Align:" #~ msgstr "Alinea:" #~ msgid "Everything" #~ msgstr "Tot" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: No es pot configurar el camp de forces..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Nombre de restriccions: %1" #~ msgid "Steps per Update:" #~ msgstr "Passes per actualizar:" #~ msgid "Algorithm:" #~ msgstr "Algorisme:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Dinàmica molecular (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dinàmica molecular (900K)" #~ msgid "Start" #~ msgstr "Inicia" #~ msgid "Fixed atoms are movable" #~ msgstr "Els àtoms fixats es poden moure" #~ msgid "Ignored atoms are movable" #~ msgstr "Els àtoms ignorats es poden moure" #~ msgid "AutoOpt Molecule" #~ msgstr "Molècula optimitzada automàticament" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Optimització automàtica de la geometria molecular" #~ msgid "AutoOptimization Settings" #~ msgstr "Configuració d'Autooptimització" #~ msgid "Auto Rotation Tool" #~ msgstr "Eina d'autogir" #~ msgid "x rotation:" #~ msgstr "rotació x:" #~ msgid "x rotation" #~ msgstr "rotació x" #~ msgid "y rotation:" #~ msgstr "rotació y:" #~ msgid "y rotation" #~ msgstr "rotació y" #~ msgid "z rotation:" #~ msgstr "rotació z:" #~ msgid "z rotation" #~ msgstr "rotació z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Rotació automàtica de molècules" #~ msgid "AutoRotate Settings" #~ msgstr "Configuració d'Autorotació" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Longitud de l'enllaç: %L1" #~ msgid " Show Angles" #~ msgstr " Visualitza Angles" #~ msgid "Snap-to Threshold: " #~ msgstr "Dur a la vora: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Manipula l'enllaç central" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulació de longituds d'enllaç, angles, i torsions" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Configuració de la manipulació de l'enllaç central" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distància (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distància (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Angle dièdric: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distància(es):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Mesura de longituds d'enllaç, angles i diedres" #~ msgid "Draw Bond" #~ msgstr "Dibuixa l'enllaç" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Dibuixa i edita àtoms i enllaços" #~ msgid "Draw Settings" #~ msgstr "Configuració de Dibuix" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Trasllada , rota, i ajusta àtoms i fragments" #~ msgid "Manipulate Settings" #~ msgstr "Configuració de manipulació" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Trasllada, rota i amplia al voltat de la vista actual" #~ msgid "Navigate Settings" #~ msgstr "Configuració de navegació" #~ msgid "Selection Mode:" #~ msgstr "Mode selecció:" #~ msgid "Atom/Bond" #~ msgstr "Àtom/Enllaç" #~ msgid "Residue" #~ msgstr "Residu" #~ msgid "Change color of the atom" #~ msgstr "Canvia el color de l'àtom" #~ msgid "Change label of the atom" #~ msgstr "Canvia l'etiqueta de l'àtom" #~ msgid "Change label of the bond" #~ msgstr "Canvia l'etiqueta de l'enllaç" #~ msgid "Change radius of the atom" #~ msgstr "Canvia el radi de l'àtom" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Nou radi, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Selecciona àtoms, residus i molècules" #~ msgid "Symbol" #~ msgstr "Símbol" #~ msgid "Bond Length" #~ msgstr "Longitud de l'enllaç" #~ msgid "Dihedral Angle" #~ msgstr "Angle dièdric" #~ msgid "Z Matrix Editor..." #~ msgstr "Editor de Matriu Z ..." #~ msgid "Z-Matrix" #~ msgstr "Matriu Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Crea/edita una matriu z" #~ msgid "Z-Matrix Settings" #~ msgstr "Configuració de Matriu Z" #~ msgid "Color residues by:" #~ msgstr "Residu de color de:" #~ msgid "Hydrophobicity" #~ msgstr "Hidrofobicitat" #~ msgid "Axes:" #~ msgstr "Eixos:" #~ msgid "Cartesian Axes" #~ msgstr "Eixos cartesians" #~ msgid "Orthogonal Axes" #~ msgstr "Eixos ortogonals" #~ msgid "Axis 1:" #~ msgstr "Eix 1:" #~ msgid "Axis 2:" #~ msgstr "Eix 2:" #~ msgid "Axis 3:" #~ msgstr "Eix 3:" #~ msgid "Origin:" #~ msgstr "Origen:" #~ msgid "Norm" #~ msgstr "Normal" #~ msgid "Preserve vector norms" #~ msgstr "Preserva el vectors normals" #~ msgid "Atom Radius:" #~ msgstr "Radi de l'àtom:" #~ msgid "Bond Radius:" #~ msgstr "Radi de l'enllaç:" #~ msgid "Shape" #~ msgstr "Forma" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Cicle" #~ msgid "Dipole:" #~ msgstr "Dipol:" #~ msgid "Custom Vector" #~ msgstr "Vector personalitzat" #~ msgid "Custom:" #~ msgstr "Personalitzat:" #~ msgid "Cut-off radius:" #~ msgstr "Radi de tall:" #~ msgid "Cut-off angle:" #~ msgstr "Angle de tall:" #~ msgid "Rendering Engine:" #~ msgstr "Giny de dibuix:" #~ msgid "TextRenderer" #~ msgstr "TextRenderer" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Text:" #~ msgid "Symbol & Number in Group" #~ msgstr "Símbol i nombre del grup" #~ msgid "Symbol & Atom number" #~ msgstr "Símbol i nombre atòmic" #~ msgid "Residue number" #~ msgstr "Nombre de residu" #~ msgid "Custom data" #~ msgstr "Dada" #~ msgid "Change Font" #~ msgstr "Canvia la font" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Etiqueta a canviar:" #~ msgid "Bond length" #~ msgstr "Longitud d'enllaç" #~ msgid "Bond number" #~ msgstr "Nombre d'enllaç" #~ msgid "Bond order" #~ msgstr "Ordre d'enllaç" #~ msgid "Lines" #~ msgstr "Línies" #~ msgid "Radius:" #~ msgstr "Radi:" #~ msgid "Include Nitrogens" #~ msgstr "Inclou els nitrogens" #~ msgid "VdW Opacity:" #~ msgstr "Opacitat de VdW:" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Render:" #~ msgstr "Representa:" #~ msgid "Fill" #~ msgstr "Omple" #~ msgid "Points" #~ msgstr "Punts" #~ msgid "Draw Box:" #~ msgstr "Caixa de dibuix:" #~ msgid "Style:" #~ msgstr "Estil:" #~ msgid "Mapped Colors" #~ msgstr "Colors dibuixats" #~ msgid "Positive" #~ msgstr "Positiu" #~ msgid "Negative" #~ msgstr "Negatiu" #~ msgid "Show Atoms" #~ msgstr "Mostra els àtoms" #~ msgid "Animate Trajectory" #~ msgstr "Anima la trajectoa" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Cicle" #~ msgid "Save as .avi..." #~ msgstr "Anomena i desa com a .avi…" #~ msgid "Angstroms" #~ msgstr "Angstroms" #~ msgid "Bohrs" #~ msgstr "Bohrs" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, sols coordenades" #~ msgid "GAMESS Input #2" #~ msgstr "Entrada GAMESS #2" #~ msgid "Priroda Input" #~ msgstr "Entrada priroda" #~ msgid "Apply Changes" #~ msgstr "Aplica els canvis" #~ msgid "Cut All" #~ msgstr "Talla-ho tot" #~ msgid "Paste to the End" #~ msgstr "Enganxa fins el final" #~ msgid "" #~ "\n" #~ "\n" #~ "

      Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

      " #~ msgstr "" #~ "\n" #~ "\n" #~ "

      Enganxa o edita les " #~ "coordinades atòmiques aquí. Podeu enganxar quasi qualsevol fragment de " #~ "text contenint coordinades.

      " #~ msgid "(None)" #~ msgstr "(cap)" #~ msgid "Sort by " #~ msgstr "ordenat per " #~ msgid "Number of atoms:" #~ msgstr "Nombre d'àtoms:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Nombre de enllaços angulars:" #~ msgid "Ignore Atom" #~ msgstr "Ignora l'àtom" #~ msgid "Fix Atom" #~ msgstr "Fixa l'àtom" #~ msgid "Fix Atom X" #~ msgstr "Fixa l'àtom X" #~ msgid "Fix Atom Y" #~ msgstr "Fixa l'àtom Y" #~ msgid "Fix Atom Z" #~ msgstr "Fixa l'àtom Z" #~ msgid "Torsion angle" #~ msgstr "Angle de torsió" #~ msgid "Add" #~ msgstr "Afegix" #~ msgid "Save" #~ msgstr "Desa" #~ msgid "Load" #~ msgstr "Carrega" #~ msgid "Cartesian" #~ msgstr "Cartesià" #~ msgid "All" #~ msgstr "Tots" #~ msgid "File Import..." #~ msgstr "Importa el fitxer..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Voleu Intentar detectar els enllaços?" #~ msgid "Setup Force Field" #~ msgstr "Configura el camp de forces" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Nombre de passos" #~ msgid "Algorithm" #~ msgstr "Algoritme" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Arginina" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Asparagina" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "Àcid aspartic" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Cisteina" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "Àcid glutàmic" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Glutamina" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Glicina" #~ msgid "Gly" #~ msgstr "Gly" #~ msgid "Histidine" #~ msgstr "Histidina" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "Isoleucina" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Valine" #~ msgstr "Valina" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyr" #~ msgstr "Tir" #~ msgid "Tryptophan" #~ msgstr "Triptòfan" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "Treonina" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "Serina" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Prolina" #~ msgid "Phenylalanine" #~ msgstr "Fenilalanina" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "Metionina" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Lisina" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "Leucina" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "Seqüència (N a C):" #~ msgid "Stereochemistry:" #~ msgstr "Estereoquímica:" #~ msgid "L" #~ msgstr "L" #~ msgid "N Terminus:" #~ msgstr "N-terminal" #~ msgid "C Terminus:" #~ msgstr "C-terminal" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Straight Chain" #~ msgstr "Cadena recta" #~ msgid "Alpha Helix" #~ msgstr "Hèlix alfa" #~ msgid "Beta Sheet" #~ msgstr "Làmina beta" #~ msgid "Pi Helix" #~ msgstr "Hèlix Pi" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "Psi:" #~ msgstr "Psi:" #~ msgid "Chain Number:" #~ msgstr "Cadena número:" #~ msgid "The chain number for the new peptide" #~ msgstr "El nombre de cadena per al següent pèptid" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Número de residus:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energia (KJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Moment dipolar (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Avançat" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "Grid" #~ msgstr "Graella" #~ msgid "POV-Ray Export" #~ msgstr "Exporta a POV-Ray" #~ msgid "Select..." #~ msgstr "Selecciona..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Utilitza l'antialisat a tota l'escena" #~ msgid "Antialias" #~ msgstr "Antiàlies" #~ msgid "Set the background color to be transparent" #~ msgstr "Posa el color de fons transparent" #~ msgid "Alpha transparency" #~ msgstr "Transparència alfa" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Representa la molècula directament utilitzant la ordre POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "" #~ "Conserva el codi font de POV-Ray després que la representació s'hagi " #~ "completat" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Conserva el codi font de POV-Ray després de la representació" #~ msgid "Path:" #~ msgstr "Camí:" #~ msgid "Abinit Input" #~ msgstr "Entrada ABINIT" #~ msgid "10.0" #~ msgstr "10,0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Cartesià (Àngstrom)" #~ msgid "Reduced" #~ msgstr "Reduït" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Límit d'ona plana (Ha):" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Tolerància de les forces (Ha/bohr):" #~ msgid "1.05" #~ msgstr "1,05" #~ msgid "k-point shift:" #~ msgstr "Desplaçament del punt k:" #~ msgid "0.0" #~ msgstr "0,0" #~ msgid "Number of bands:" #~ msgstr "Nombre de bandes:" #~ msgid "# k-point shifts:" #~ msgstr "# desplaçaments del punt k:" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "Límit de la doble graella PW (Ha):" #~ msgid "20.0" #~ msgstr "20,0" #~ msgid "Occupation scheme:" #~ msgstr "Esquema d'ocupació" #~ msgid "Total Potential" #~ msgstr "Potencial total" #~ msgid "Relative Force" #~ msgstr "Força relativa" #~ msgid "1 - semiconducting" #~ msgstr "1 - semiconductiva" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "0.01" #~ msgstr "0,01" #~ msgid "0 - no moving ions " #~ msgstr "0 - sense ions en moviment " #~ msgid "1 - viscous damping" #~ msgstr "1 - amortiment viscós" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS amb energia" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Suavitzat de l'energia cinètica (Ha):" #~ msgid "0.5" #~ msgstr "0,5" #~ msgid "Compute..." #~ msgstr "Calcula..." #~ msgid "Dalton Input" #~ msgstr "Entrada dalton" #~ msgid "Basics" #~ msgstr "Bàsics" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Afegeix el que teclegis a la línia de títol del fitxer d'entrada \n" #~ "per a propòsits informatius" #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Estil de pople" #~ msgid "Jensen's polarization consistent" #~ msgstr "Polarització consistent de Jensen" #~ msgid "Dunning's correlation consistent" #~ msgstr "Correlació consistent de Dunning" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Funcions de correlació de la base" #~ msgid "Diffuse functions" #~ msgstr "Funcions difuses" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Directe" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Executa en paral·lel sempre que sigui possible. Això sols és possible " #~ "per \n" #~ "funcions SCF i càlculs DFT. Dalton sols suporta MPI a la versió actual i " #~ "cal\n" #~ "compilar-lo i instal·lar-lo de forma correcta. El nombre de nodes estan " #~ "establerts utilitzant \n" #~ "la opció \"-N #\" quan s'executa el script «dalton»." #~ msgid "Parallel" #~ msgstr "Paral·lel" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Especificació de xarxa:" #~ msgid "Partitioning Scheme:" #~ msgstr "Esquema de particionat:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (original)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Qualitat de la xarxa:" #~ msgid "coarse" #~ msgstr "grosa" #~ msgid "normal" #~ msgstr "normal" #~ msgid "fine" #~ msgstr "fina" #~ msgid "ultrafine" #~ msgstr "ultrafina" #~ msgid "Radial Scheme:" #~ msgstr "Esquema radial:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Mostra totes les funcions" #~ msgid "Property:" #~ msgstr "Característica:" #~ msgid "Polarizability" #~ msgstr "Polaritzabilitat" #~ msgid "Frequency Dependent" #~ msgstr "Freqüència dependent" #~ msgid "No. excitations:" #~ msgstr "Nombre excitacions:" #~ msgid "EFP Matches" #~ msgstr "Resultats EFP" #~ msgid "Group Label:" #~ msgstr "Etiqueta de grup:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "Configuració &avançada" #~ msgid "Hessian" #~ msgstr "Hessià" #~ msgid "Stat Point" #~ msgstr "Punt d'estat" #~ msgid "System" #~ msgstr "Sistema" #~ msgid "MO Guess" #~ msgstr "Conjectura MO" #~ msgid "Misc" #~ msgstr "Miscel·lània" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "# Funcions de polarització D del àtoms pesants :" #~ msgid "Read" #~ msgstr "Llegeix" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Difusió capa S als àtoms pesants" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Difusió capa L als àtoms pesants" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Doble valència zeta" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Triple valència zeta" #~ msgid "SBKJA Valence" #~ msgstr "València SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "València Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Tipus ECP" #~ msgid "Default" #~ msgstr "Per defecte" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "# Funcions de polarització F dels àtoms pesants:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "# Funcions de polarització dels àtoms lleugers:" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Max SCF Iterations:" #~ msgstr "Iteracions Max SCF:" #~ msgid "Gradient" #~ msgstr "Gradient" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "Punt Saddle" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Gradient extrem" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Transició radiactiva mom." #~ msgid "Spin Orbit" #~ msgstr "Spin Orbita" #~ msgid "Finite Electric Field" #~ msgstr "Camp elèctric finit" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Optimització global" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Optimització FMO" #~ msgid "Raman Intensities" #~ msgstr "Intensitats Raman" #~ msgid "Make EFP" #~ msgstr "Fes EFP" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Cap (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Tipus SCF:" #~ msgid "Localization Method:" #~ msgstr "Mètode de localització:" #~ msgid "Exec Type:" #~ msgstr "Tipus Exec:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Determinant Lab. Ames" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Espai actiu múltiple restrictiu de la ocupació" #~ msgid "CI Singles" #~ msgstr "CI Singles" #~ msgid "Full Second Order CI" #~ msgstr "Cl ple de segon ordre" #~ msgid "General CI" #~ msgstr "Cl general" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Linearitzat CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC amb dobles" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC amb simples i dobles" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Execució normal" #~ msgid "Check" #~ msgstr "Comprova" #~ msgid "Debug" #~ msgstr "Depura" #~ msgid "Molecule Charge:" #~ msgstr "Carrega molecular:" #~ msgid "Run Type:" #~ msgstr "Executa el tipus:" #~ msgid "Use MP2" #~ msgstr "Utilitza MP2" #~ msgid "Use DFT" #~ msgstr "Utilitza DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# de les variables de la matriu Z" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Ordre dels eixos principals:" #~ msgid "Coordinate Type:" #~ msgstr "Tipus de coordenada:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Coordenades cartesianes úniques" #~ msgid "Hilderbrant internals" #~ msgstr "interiors de Hilderbrant" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Utilitza simetria durant el càlcul" #~ msgid "Point Group:" #~ msgstr "Grup del punt:" #~ msgid "Minutes" #~ msgstr "Minuts" #~ msgid "Hours" #~ msgstr "Hores" #~ msgid "Days" #~ msgstr "Dies" #~ msgid "Weeks" #~ msgstr "Setmanes" #~ msgid "Years" #~ msgstr "Anys" #~ msgid "Millenia" #~ msgstr "Mil·lennis" #~ msgid "MegaWords" #~ msgstr "Mega paraules" #~ msgid "MegaBytes" #~ msgstr "Megabytes" #~ msgid "GigaWords" #~ msgstr "Giga paraules" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Mètodes de força paral·lela" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Producte «core» fitxer sobre la interrupció" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memòria:" #~ msgid "Diagonalization Method:" #~ msgstr "Mètode de diagonalització:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Tipus del balanç de càrrega paral·lel" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Cicle" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Següent valor" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Utilitzeu dades externes per representar el missatges" #~ msgid "Initial Guess:" #~ msgstr "Conjectura inicial:" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO llegit ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO desat (DICTNRY)" #~ msgid "Skip" #~ msgstr "Omet" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Gira els orbitals alfa i beta" #~ msgid "Print the Initial Guess" #~ msgstr "Imprimeix la conjectura inicial" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Interfície GAMESS per als altres codis" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Força el funcionament a prova" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (Versió UK)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussià 9x" #~ msgid "Solvate with Water" #~ msgstr "Solvata amb aigua" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Genera els orbitals naturals UHF" #~ msgid "Direct SCF" #~ msgstr "SCF directe" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "El càlcul sols ha canviat la matriu de Fock" #~ msgid "Slater exchange" #~ msgstr "Intercanvi Slater" #~ msgid "Becke 1988 exchange" #~ msgstr "Intercanvi Becke 1988" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Correlació Vosko-Wilk-Nusair (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Correlació Lee-Yang-Parr" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Intercanvi Slater + Correlació VWN" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: Intercanvi BECKE + Correlació VWN5" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: Intercanvi BECKE + Correlació LYP" #~ msgid "Gill 1996 exchange" #~ msgstr "Intercanvi Gill 1996" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Intercanvi Perdew-Burke-Ernzerhof (PBE)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: Correlació progressiva un-paràmetre" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Correlació Lee-Yang-Parr (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + Correlació OP" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: Intercanvi BECKE +Correlació OP" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: Intercanvi GILL + Correlació VWN5" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: Intercanvi GILL + Correlació LYP" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: Intercanvi PBE +Correlació VWN6" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: Intercanvi PBE +Correlació LYP" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: Intercanvi PBE + Correlació OP" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: Intercanvis HF i BECKE + Correlació LYP" #~ msgid "Grid-Free" #~ msgstr "Graella lliure" #~ msgid "AO Integral Storage" #~ msgstr "Emmagatzemament integral AO" #~ msgid "Duplicated on Each Node" #~ msgstr "Duplicat en cada node" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distribuït a través de tots els nodes" #~ msgid "words" #~ msgstr "paraules" #~ msgid "Compute MP2 Properties" #~ msgstr "Calcula les propietats MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Integral de Retenció Cutoff:" #~ msgid "Use Localized Orbitals" #~ msgstr "Utilitza orbitals localitzats" #~ msgid "# of Core Electrons:" #~ msgstr "# dels electrons base:" #~ msgid "Two Phase Bin Sort" #~ msgstr "Ordenament per caselles bifàsic" #~ msgid "Segmented Transformation" #~ msgstr "Transformació segmentada" #~ msgid "Numeric" #~ msgstr "Numèric" #~ msgid "Double Differenced Hessian" #~ msgstr "Hessià derivada parcial segona" #~ msgid "Print Internal Force Constants" #~ msgstr "Imprimeix constants de les forces internes" #~ msgid "Displacement Size:" #~ msgstr "Mida del desplaçament:" #~ msgid "Purify Hessian" #~ msgstr "Neteja el Hessià" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Hessià inicial" #~ msgid "Guess (+ define)" #~ msgstr "Conjectura ( + defineix)" #~ msgid "Read (from $HESS)" #~ msgstr "Lectura ( des de $HESS)" #~ msgid "Update Step Size" #~ msgstr "Actualitza la mida del pas" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Imprimeix els orbs. en cada iteració" #~ msgid "Stationary Point" #~ msgstr "Punt estacionari:" #~ msgid "Initial:" #~ msgstr "Inicial:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Funció d'optimització racional" #~ msgid "Quadratic Approximation" #~ msgstr "Aproximació quadràtica" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Optimització de les restriccions" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Recalcula el hessià cada:" #~ msgid "Follow Mode:" #~ msgstr "Mode de seguiment:" #~ msgid "GAMESS-UK Input" #~ msgstr "Entrada GAMESS-UK" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Entrada GAMESS-UK generada per Avogadro" #~ msgid "Transition State Search" #~ msgstr "Cerca estat de transició" #~ msgid "Basis:" #~ msgstr "Base:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Matriu Z" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "En el mode directe, les integrals no són emmagatzemades al disc, però el " #~ "recàlcul és necessari.\n" #~ "Als sistemes moderns amb processadors ràpids i discs lents, el mode " #~ "directe és normalment ràpid." #~ msgid "Run in direct mode:" #~ msgstr "Executa en mode directe:" #~ msgid "Gaussian Input" #~ msgstr "Entrada gaussiana" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Estàndard" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Punt de comprovació:" #~ msgid "Z-matrix (compact)" #~ msgstr "Matriu Z (compacta)" #~ msgid "MOLPRO Input" #~ msgstr "Entrada MOLPRO:" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Molpro Versió:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "Entrada MOPAC" #~ msgid "Quartet" #~ msgstr "Quartet" #~ msgid "Quintet" #~ msgstr "Quintet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Entrada NWChem" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Entrada Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "Entrada TeraChem" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Sense restriccions" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "no" #~ msgid "yes" #~ msgstr "sí" #~ msgid "D2" #~ msgstr "D2" #~ msgid "D3" #~ msgstr "D3" #~ msgid "Dispersion:" #~ msgstr "Dispersió:" #~ msgid "Load Shaders" #~ msgstr "Carrega Shaders" #~ msgid "Shader Name:" #~ msgstr "Nom de Shader:" #~ msgid "Vertex Shader:" #~ msgstr "Vertex Shader:" #~ msgid "Fragment Shader:" #~ msgstr "Fragment Shader:" #~ msgid "Assign Shader" #~ msgstr "Assigna shader" #~ msgid "Display Type:" #~ msgstr "Tipus de visualització:" #~ msgid "Font:" #~ msgstr "Tipus de lletra:" #~ msgid "Change Font..." #~ msgstr "Canvia el tipus de lletra..." #~ msgid "New..." #~ msgstr "Nou..." #~ msgid "Rename..." #~ msgstr "Reanomena..." #~ msgid "&Schemes:" #~ msgstr "E&squemes:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Amplada:" #~ msgid "&Height" #~ msgstr "&Alçada" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "a" #~ msgid "px" #~ msgstr "px" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Utilitza un valor optimitzat per la mida del tipus de lletra en lloc del " #~ "valor especificat a l'esquema (la pantalla de la mida dels punts de la " #~ "imatge no els tradueix bé!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Aut&o ajusta mida del tipus de lletra" #~ msgid "Spectra Tab" #~ msgstr "Pestanya espectral" #~ msgid "&Gaussian Width:" #~ msgstr "Amplada del &Gaussià:" #~ msgid "&Label peaks" #~ msgstr "Etiquetes de&ls pics" #~ msgid "Rotatory Strength type:" #~ msgstr "Tipus de força angular:" #~ msgid "Energy units:" #~ msgstr "Unitats d'energia:" #~ msgid "Density units" #~ msgstr "Unitats de densitat" #~ msgid "Fermi Energy: " #~ msgstr "Energia de Fermi: " #~ msgid "States / Cell" #~ msgstr "Estats / cel·la" #~ msgid "States / Atom" #~ msgstr "Estats / Àtom" #~ msgid "States / Valence electron" #~ msgstr "Estats / València electró" #~ msgid "Fermi energy at zero" #~ msgstr "Energia de Fermi a cero" #~ msgid "Scale integrated DOS" #~ msgstr "Escala integrada DOS" #~ msgid "Show integrated DOS" #~ msgstr "Mostra integrada DOS" #~ msgid "tab_IR_Raman" #~ msgstr "pestanya_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "Unitats &Y eix:" #~ msgid "Scaling Type:" #~ msgstr "Tipus d'escalat:" #~ msgid "Relative" #~ msgstr "Relativa" #~ msgid "Laser Wavenumber:" #~ msgstr "Número d'ona del laser." #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "pestanya_NMR" #~ msgid "Gaussian &Width:" #~ msgstr "A&mplada Gaussiana:" #~ msgid "Reset &Plot Axes" #~ msgstr "Re-dibuixa eixos de la funció" #~ msgid "Label Peaks:" #~ msgstr "Etiqueta dels pics:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Vibracions moleculars" #~ msgid "Filter: " #~ msgstr "Filtre: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Activitat (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "Vi&sualitza l'espectre..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "vibracions d'alta freqüència mostraran el moviment més ràpid" #~ msgid "Animation speed set by frequency" #~ msgstr "Velocitat de l'animació establerta per la freqüència" #~ msgid "Display force &vectors" #~ msgstr "Mostra &vectors de força" #~ msgid "&Normalize displacements" #~ msgstr "&Normalitza les dislocacions" #~ msgid "&Recalculate All" #~ msgstr "&Re-calcula-ho tot" #~ msgid "Default &Quality:" #~ msgstr "&Qualitat per defecte:" #~ msgid "Show occupied orbitals first" #~ msgstr "Mostra primer els orbitals ocupats" #~ msgid "Limit orbital precalculations to " #~ msgstr "Limita els precàlculs orbitals a: " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "òrbites al voltant de HOMO/LUMO" #~ msgid "Surface Type:" #~ msgstr "Tipus de superfície" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Baix" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Mitjà" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Alt" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Molt Alt" #~ msgid "Isosurface cutoff value" #~ msgstr "Valor de la drecera d'isosuperfície" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Tipus en la mostra:" #~ msgid "New Display" #~ msgstr "Nova mostra" #~ msgid "Advanced..." #~ msgstr "Avançat..." #~ msgid "&Length:" #~ msgstr "&Longitud:" #~ msgid "Uni&t:" #~ msgstr "Uni&tat:" #~ msgid "periodic units" #~ msgstr "unitats periòdiques" #~ msgid "angstrom" #~ msgstr "àngstrom" #~ msgid "bohr radii" #~ msgstr "radi de Bohr" #~ msgid "nanometers" #~ msgstr "nanòmetres" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "Això pot trigar una estona. Si només calen les coordenades\n" #~ "atòmiques (per exemple, per a un càlcul de mecànica\n" #~ "quàntica), una representació amb enllaços simples\n" #~ "hauria de ser suficient." #~ msgid "Find &double bonds" #~ msgstr "Cerca enllaços dobles" #~ msgid "Display visual cues" #~ msgstr "Mostra la senyal visual" #~ msgid "Python Settings" #~ msgstr "Configuració de python" #~ msgid "Z Matrix Editor" #~ msgstr "Editor de matriu Z" avogadrolibs-1.100.0/i18n/ca@valencia.po000066400000000000000000011512261474375334400176600ustar00rootroot00000000000000# translation of _avogadro-ca.po to Catalan (Valencia) # translation of Avogadro to Catalan (Valencian) # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # # Carles Ferrando Garcia , 2009. # Toni Hermoso Pulido , 2009. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: _avogadro-ca\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-16 14:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Valencian \n" "Language: ca@valencia\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, fuzzy, qt-format msgid "%1 Input Generator" msgstr "Entrada del generador" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Continua" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Tanca" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Desconegut" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Hidrogen" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Heli" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Liti" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Beril·li" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Carboni" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Nitrogen" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Oxigen" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neó" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Sodi" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnesi" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Alumini" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silici" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fòsfor" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Sofre" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Clor" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argó" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Potassi" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Calci" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Escandi" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titani" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadi" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Crom" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Manganés" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Ferro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Cobalt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Níquel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Coure" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Zinc" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Gal·li" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germani" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsènic" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Seleni" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Criptó" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidi" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Estronci" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Itri" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirconi" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niobi" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molibdè" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Tecneci" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Ruteni" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rodi" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Pal·ladi" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Argent" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Cadmi" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indi" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Estany" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimoni" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Tel·luri" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Iode" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xenó" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Cesi" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Bari" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantani" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Ceri" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodimi" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodimi" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Prometi" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samari" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europi" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolini" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbi" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Disprosi" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmi" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbi" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Tuli" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Iterbi" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Luteci" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafni" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tàntal" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Tungstè" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Reni" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmi" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridi" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platí" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Or" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Mercuri" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Tal·li" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Plom" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bismut" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Poloni" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Àstat" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radó" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Franci" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radi" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Actini" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Tori" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protoactini" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Urani" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptuni" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutoni" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Americi" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Curi" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkeli" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Californi" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einsteini" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermi" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelevi" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobeli" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Laurenci" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Ruderfordi" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubni" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgi" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bohri" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassi" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitneri" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadi" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Roentgueni" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Copernici" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:23 #, fuzzy msgid "Browse" msgstr "Navega" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Tots els fitxers" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Títol" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 #, fuzzy msgid "Theory" msgstr "Teoria" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Base" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 #, fuzzy msgid "[no molecule]" msgstr "No està configurada la molècula" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Boles i bastons" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Pel·lícula" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Moment dipolar" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Força" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Etiqueta" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 #, fuzzy #| msgid "QTAIM" msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Filferro" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Taula periòdica." #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 #, fuzzy msgid "Change Layer" msgstr "Canvia l'orde de l'enllaç" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Afig un àtom" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Esborra Àtoms" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Ajusta els hidrògens" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Canvia l'element" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Canvia l'element" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 #, fuzzy msgid "Change Atom Layer" msgstr "Canvia l'orde de l'enllaç" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Afig un enllaç" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 #, fuzzy msgid "Clear Bonds" msgstr "Suprimeix l'enllaç" #: qtgui/rwmolecule.cpp:335 #, fuzzy msgid "Set Bond Orders" msgstr "Orde de l'enllaç" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Canvia l'orde de l'enllaç" #: qtgui/rwmolecule.cpp:369 #, fuzzy msgid "Update Bonds" msgstr "Dur als enllaços" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 #, fuzzy msgid "Remove Unit Cell" msgstr "Omple la cel·la unitat" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 #, fuzzy msgid "Build Super Cell" msgstr "Super cel·la" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Omple la cel·la unitat" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 #, fuzzy #| msgid "&UV Settings" msgid "Settings" msgstr "Paràmetres" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Fitxer" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 #, fuzzy msgid "&Export" msgstr "&Exporta" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Compila" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Alinea" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Eix:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Alinea molècules als eixos cartesians" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, fuzzy msgid "IO Error" msgstr "Error" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Error" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "Èxit" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "Color personalitzat" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "Element" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy #| msgid "Partial charge" msgid "By Partial Charge…" msgstr "Carrega parcial" #: qtplugins/applycolors/applycolors.cpp:82 #, fuzzy msgid "By Secondary Structure" msgstr "l'estructura secundària" #: qtplugins/applycolors/applycolors.cpp:87 #, fuzzy msgid "By Amino Acid" msgstr "Aminoàcids" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 #, fuzzy #| msgid "Spectra" msgctxt "colormap" msgid "Spectral" msgstr "Espectre" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Visualitza" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 #, fuzzy msgid "Color Residues" msgstr "Color per residu" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Mostra multiples enllaços" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 #, fuzzy msgid "Show hydrogens" msgstr "Hidrògens" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Manipulació de l'enllaç central" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Manipulació de l'enllaç central" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "Voleu detectar els enllaços" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "Enllaç" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 #, fuzzy msgid "Perceive bond orders." msgstr "Voleu detectar els enllaços?" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Esquelet proteïc" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Cinta" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Pel·lícula" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Pel·lícula" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 #, fuzzy msgid "Maximum distance:" msgstr "distància:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "&Extensions" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #, fuzzy msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 #, fuzzy #| msgid "Other" msgid "Other…" msgstr "Altra" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "Editor de &coordenades…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "Editor de coordenades" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Nom d'element." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 #, fuzzy msgid "Invalid element symbol." msgstr "Símbol d'element" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Símbol d'element." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 #, fuzzy msgid "Invalid atomic index." msgstr "Index d'àtoms." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Index d'àtoms." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Nombre atòmic." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 #, fuzzy msgid "X coordinate." msgstr "Coordenades cartesianes" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 #, fuzzy msgid "Y coordinate." msgstr "Coordenades cartesianes" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 #, fuzzy msgid "Z coordinate." msgstr "Coordenades cartesianes" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Personalitzat" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Entrada turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 #, fuzzy msgid "Copy" msgstr "Copia" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 #, fuzzy msgid "Clear" msgstr "Suprimeix" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 #, fuzzy msgid "Molecular Dynamics" msgstr "Dinàmica molecular" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 #, fuzzy msgid "Geometry Optimization" msgstr "Optimització geomètrica" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 #, fuzzy msgid "Molecular Mechanics" msgstr "Mecànica molecular" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 #, fuzzy msgid "Conjugate Gradients" msgstr "Gradients conjugats" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 #, fuzzy msgid "Steepest descent" msgstr "Pas descendent" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy msgid "Edit Unit Cell…" msgstr "Omple la cel·la unitat" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 #, fuzzy msgid "Build &Supercell…" msgstr "&Super cel·la" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Dibuixa" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Dibuixa l'àtom" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Distància:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Senzill" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Doble" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Triple" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 #, fuzzy msgid "&Import" msgstr "&Importa" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Importa des de PDB..." #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Estructura química a descarregar." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Descàrrega de Xarxa fallida" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Temps de connexió sobrepassat o un altre error." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "La molècula especificada no s'ha trobat: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Importa des de PDB..." #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 #, fuzzy #| msgid "Selection" msgid "Focus Selection" msgstr "Selecció" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 #, fuzzy msgid "Optimize Geometry" msgstr "Optimitza Geometria" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Configura…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy #| msgid "Import Selected Atoms" msgid "Freeze Selected Atoms" msgstr "Fixa els àtoms seleccionats" #: qtplugins/forcefield/forcefield.cpp:115 #, fuzzy #| msgid "Fix Selected Atoms" msgid "Unfreeze Selected Atoms" msgstr "Fixa els àtoms seleccionats" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "&Calcula" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Energia = %L1 %2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield optimization" msgstr "Optimització del camp de forces" #: qtplugins/forcefield/forcefield.h:50 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" msgstr "Optimització del camp de forces" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "&GAMESS" msgid "&GAMESS…" msgstr "&GAMESS" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Entrada GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "Energia de punt senzill" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Geometria d'equilibri" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Estat de transició" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Freqüències" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Potencial base" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Aigua" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Doblet" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Dicatió" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Catió" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neutre" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anió" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianió" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "&Ajusta els hidrògens" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Afig hidrògens" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Suprimeix hidrògens" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "&Hidrògens" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrògens" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Insereix" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy #| msgid "&Insert" msgid "Insert DNA/RNA…" msgstr "Insereix" #: qtplugins/insertdna/insertdna.cpp:159 #, fuzzy #| msgctxt "Ultra-Violet spectrum" #| msgid "UV" msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 #, fuzzy #| msgid "T" msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 #, fuzzy #| msgid "Molecule" msgid "Insert Molecule…" msgstr "Molècula" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy #| msgid "&Insert" msgid "InsertDNA" msgstr "Insereix" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "Molècula" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Insereix un fragment" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Insereix un fragment" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "" "Insereix un fragment molecular per la construcció de molècules llargues" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "color:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Cap" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "ID únic" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 #, fuzzy msgid "Atom Label:" msgstr "Etiquetes d'àtom:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 #, fuzzy msgid "Residue Label:" msgstr "Nom del residu:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 #, fuzzy msgid "Create Label" msgstr "Crea Superfície" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Opacitat:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 #, fuzzy msgid "SMILES…" msgstr "SMILES..." #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 #, fuzzy msgid "No descriptors found!" msgstr "No hi ha cap descripció" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipula" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Mesura" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Diedre:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Angle:" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "Angle:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(pendent)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy msgid "&Molecular…" msgstr "&molecular" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 #, fuzzy msgid "&Analysis" msgstr "&Analític" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Propietats" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Propietats de la molècula" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Propietats de la molècula" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 #, fuzzy msgid "Export CSV" msgstr "Exporta CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 #, fuzzy #| msgid "WFN files (*.wfn);;All files (*.*)" msgid "CSV Files (*.csv);;All Files (*)" msgstr "Fitxers CSV (*.csv);;Tots els fitxers (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 #, fuzzy #| msgid "Could not open file '%1' for writing." msgid "Could not open the file for writing." msgstr "No és pot obrir el fitxer «%1» per escriptura." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy msgid "Export…" msgstr "Exporta" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navega" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Nom químic" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 #, fuzzy #| msgid "°" msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 #, fuzzy msgid "Configure Force Field…" msgstr "Configura el camp de força…" #: qtplugins/openbabel/openbabel.cpp:59 #, fuzzy #| msgid "Conformer Search" msgid "Conformer Search…" msgstr "Cerca d'esteroisòmers…" #: qtplugins/openbabel/openbabel.cpp:65 #, fuzzy msgid "Perceive Bonds" msgstr "Voleu detectar els enllaços?" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Afig hidrògens per al pH" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "Suprimeix hidrògens" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Optimitza Geometria (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "El fitxer trajectòria %1 no concorda amb el nombre d'àtoms de l'actual " "molècula" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Afig hidrògens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "Afig hidrògens per al pH" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Suprimeix hidrògens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " "panell d'entrada de OpenMM ?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Atura" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 #, fuzzy msgid "Dynamic bonding?" msgstr "Enllaços dinàmics" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "fitxers de vídeo (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "València" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "color" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Àtom" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Tipus" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "Àtom inicial" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Àtom final" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Orde d'enllaç" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Llargada (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 #, fuzzy msgid "Secondary Structure" msgstr "Estrcutura Secundària" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Àtom 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Vèrtex" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Àtom 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Angle (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Àtom 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Àtom 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "Hèlix" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "Hèlix" #: qtplugins/propertytables/propertymodel.cpp:939 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "Fulla" #: qtplugins/propertytables/propertymodel.cpp:941 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Hèlix 3-10" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "Propietats d'Àtom" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "Propietats d'enllaç" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Propietats d'angle" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy #| msgid "Torsion Properties" msgid "Torsion Properties…" msgstr "Propietats de la torsió" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "Finestra per mostrar l'àtom, enllaços, angles i propietats de torsió." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Propietats" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Propietats d'Àtom" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Propietats d'enllaç" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Propietats d'angle" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Propietats de la torsió" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Propietats de l'estereoisòmer" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Genera primitives utilitzant propietats QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Obri el fitxer WFN" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Fitxers WFN (*.wfn);;Tots els fitxers (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Extensió QTAIM" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "Inicialització" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 #, fuzzy msgid "Select by Atom Index…" msgstr "Index d'àtoms" #: qtplugins/select/select.cpp:63 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Residue…" msgstr "Selecciona per residu..." #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 #, fuzzy #| msgid "Selection" msgid "Shrink Selection" msgstr "Selecció" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Selecciona" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" msgstr "Selecciona per residu..." #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "Selecciona" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Selecció" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 #, fuzzy #| msgid "New Label:" msgid "New Layer" msgstr "Etiqueta nova" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Omple la cel·la unitat" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgid "Spectra" msgid "Spectra" msgstr "Espectre" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "Infraroig" #: qtplugins/spectra/spectradialog.cpp:440 #, fuzzy #| msgctxt "Raman spectrum" #| msgid "Raman" msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 #, fuzzy #| msgid "&Density Of States Settings" msgid "Density of States" msgstr "Densitat dels estats" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Selecciona el color de fons" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Selecciona el color del primer pla" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "Selecciona el color de l'espectre calculat" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "Selecciona el color de l'espectre importat" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 #, fuzzy #| msgid "Wavenumber (cm-1)" msgid "Wavenumbers (cm⁻¹)" msgstr "Nombre d'ona (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 #, fuzzy #| msgid "Import Spectra" msgid "Raman Spectra" msgstr "Raman espectre" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 #, fuzzy #| msgid "Intensities" msgid "Intensity" msgstr "Intensitats" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 #, fuzzy #| msgid "Shift (ppm)" msgid "Chemical Shift (ppm)" msgstr "Desplaçament (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Energia (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Estat" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Orbital molecular" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Densitat d'electrons" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Create Surfaces" msgid "Create Surfaces…" msgstr "Crea Superfície…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 #, fuzzy msgid "Calculating electron density" msgstr "Calculant la densitat d'electrons" #: qtplugins/surfaces/surfaces.cpp:595 #, fuzzy msgid "Calculating spin density" msgstr "Calculant la densitat d'electrons" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Superfícies" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, fuzzy, qt-format msgid "Group %1" msgstr "Grup %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "Vibració" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, fuzzy, qt-format #| msgid "MOPAC failed to start." msgid "Error: %1 failed to start" msgstr "%1 no s'ha executat" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Diàleg" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Forma" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "Insereix un fragment" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Camp de força:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Èxit!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial charge" msgid "Partial Charges" msgstr "Carrega parcial" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formata:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Aplica" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Reinicia-ho tot" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Paràmetres per defecte" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "Configuració &bàsica" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Títol:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Calcula" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Mètode:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opcions de la super cel·la" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Repetició A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Repetició B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Repetició C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Etiqueta de text" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Orde d'enllaç:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Entrada GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Entrada:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicitat:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Amb:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Càrrega:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nom" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy #| msgid "G" msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy #| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other" msgid "Other" msgstr "Altra" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Senzill" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Doble" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Utilitza la forma" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) #, fuzzy #| msgid "Origin:" msgid "Origin" msgstr "Origen" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Cerca d'esteroisòmers" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Mètode" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Number of conformers" msgid "Number of conformers:" msgstr "Nombre d'esteoisòmers:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Cerca sistemàtica de rotors" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Cerca de rotors aleatòria" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Cerca de rotors depenent de la massa" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Pas descendent" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Camp de força:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Referència" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Senzill" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Doble" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Restriccions:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Temperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Longitud d'ona:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Radi del punt crític:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Radi del camí de l'enllaç:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalent" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Mida constant" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy #| msgid "Frequency Scale Factor:" msgid "Scale Factor:" msgstr "Factor d'escala:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Width:" msgid "Peak Width:" msgstr "Amplada:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) #, fuzzy #| msgid "Threshold:" msgid "Peak Threshold:" msgstr "Llindar:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Aparença" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Visualitza" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" "Importa un tsv del espectre experimental per sobreescriure en la funció." #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Importa..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Estableix el color..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Espectre importat:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Exporta..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Fons:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Export Calculated Spectrum" msgid "Calculated Spectra:" msgstr "l'espectre calculat:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy #| msgid "10e-" msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Exporta dades" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Tanca" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Controls:\n" "Clic doble esquerra: Restaura els límits dels eixos per defecte\n" "Clic dret + arrossega: Mou la funció\n" "Botó del mig + arrossega: Amplia la regió\n" "Desplaçament de la roda: Amplia el cursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "Carrega &dades..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Qualitat: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Baix" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Mitjà" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Alt" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Molt alt" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Crea Superfície" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Color de:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy #| msgctxt "Electrostatic potential surface type" #| msgid "Electrostatic Potential" msgid "Electrostatic Potential" msgstr "Potencial electrostàtic" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolució:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Valor de la isosuperfície :" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " K" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Llum" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calcula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molècula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "1: Linear" msgstr "1: Lineal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "2: Linear" msgstr "2: Lineal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "Tipus:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Grup" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Grup:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitud:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #, fuzzy msgid "Start Animation" msgstr "Inicia Animació" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) #, fuzzy msgid "Stop Animation" msgstr "Atura animació" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) #, fuzzy msgid " eV" msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,carles ferrando,el_libre - http://www.catmidia." "cat XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Avogadro Team," "carles ferrando,el_libre - http://www.catmidia.cat " "XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Avogadro Team,Carles," "el_libre - http://www.catmidia.cat XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad " "Contributions:,Avogadro Team,Carles,el_libre - http://www.catmidia.cat " "XDDDDDDDDDDDDDDDDDDDDDDDDDDD, ,Launchpad Contributions:,Avogadro Team,Carles," "el_libre - http://www.catmidia.cat XDDDDDDDDDDDDDDDDDDDDDDDDDDD" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,el.libre@gmail.com,,,avogadro-devel@lists.sourceforge.net,,el.libre@gmail." "com,,,avogadro-devel@lists.sourceforge.net,,el.libre@gmail.com,,,avogadro-" "devel@lists.sourceforge.net,,el.libre@gmail.com,,,avogadro-devel@lists." "sourceforge.net,,el.libre@gmail.com" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #, fuzzy #~ msgid "eV)" #~ msgstr "eV)" #, fuzzy #~| msgid "Partial charge" #~ msgid "Partial Charge" #~ msgstr "Carrega parcial" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animació" #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals" #, fuzzy #~ msgid "Geometry" #~ msgstr "Geometria" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Omple la cel·la unitat" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Index d'àtoms" #, fuzzy #~ msgid "By Distance" #~ msgstr "Distància" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Index d'àtoms" #, fuzzy #~ msgid "&Copy" #~ msgstr "Copia-ho tot" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "Nom de la molècula IUPAC:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Massa molecular (g/mol)" #~ msgid "Chemical Formula:" #~ msgstr "Formula química:" #~ msgid "Number of Atoms:" #~ msgstr "Número d'àtoms:" #~ msgid "Number of Bonds:" #~ msgstr "Número d'enllaços:" #~ msgid "TODO" #~ msgstr "PER FER" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Mida del salt:" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "Optimització" #, fuzzy #~ msgid "In." #~ msgstr "Entrada:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragment..." #, fuzzy #~| msgid "DFT Functional:" #~ msgid "Functional Groups" #~ msgstr "Funció DFT:" #~ msgid "Other..." #~ msgstr "Altre..." #, fuzzy #~ msgid "Filename" #~ msgstr "Nom de fitxer:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Estrcutura:" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navega" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navega" #~ msgid "OK" #~ msgstr "D'acord" #~ msgid "Cancel" #~ msgstr "Cancel·la" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Nom d'element" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Tots els fitxers" #, fuzzy #~| msgid "Dihedral:" #~ msgid "octahedral" #~ msgstr "Diedre:" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molècula" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "No està configurada la molècula" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Afig hidrògens per al pH..." #~ msgid "Atom Properties..." #~ msgstr "Propietats dels àtoms..." #~ msgid "Bond Properties..." #~ msgstr "Propietats dels enllaços..." #~ msgid "Angle Properties..." #~ msgstr "Propietats d'Angle" #~ msgid "Torsion Properties..." #~ msgstr "Propietats de torsió…" #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Propietats de la molècula..." #~ msgid "Create Surfaces..." #~ msgstr "Crea superfícies..." #~ msgid "Insert Fragment..." #~ msgstr "Insereix un fragment…" #~ msgid "Theory:" #~ msgstr "Teoria:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Distància (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Angular" #, fuzzy #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "Estereoisòmer %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "Estereoisòmer %1" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angle %1" #, fuzzy #~ msgid "Angle" #~ msgstr "Angle:" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "Estereoisòmer %1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsió %1" #~ msgid "Torsion" #~ msgstr "Torsió" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "Energia (KJ/mol):" #~ msgid "Yes" #~ msgstr "Sí" #~ msgid "No" #~ msgstr "No" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Entrada del generador..." #, fuzzy #~ msgid "Import" #~ msgstr "Importa" #~ msgid "Insert SMILES" #~ msgstr "Insereix SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Insereix un fragment SMILES:" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "Quiralitat invertida" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "" #~ "Insereix un fragment molecular per la construcció de molècules llargues" #~ msgid "E&xtensions" #~ msgstr "E&xtensions" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimitza Geometria" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Optimització geomètrica" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Afig hidrògens" #, fuzzy #~ msgid "Stopped" #~ msgstr "Atura" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Superfícies" #~ msgid "Color by Index" #~ msgstr "Color de l'índex" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Color de l'índex (roig, taronja, groc, verd, blau, violeta)" #~ msgid "Color by Partial Charge" #~ msgstr "Color de la càrrega parcial." #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Color de la càrrega atòmica parcial ( blau= positiva, roja=negativa." #~ msgid "Custom Color:" #~ msgstr "Color personalitzat:" #~ msgid "Set custom colors for objects" #~ msgstr "Tria els colors personalitzats pels objectes" #~ msgid "Color by Distance" #~ msgstr "Color de la distància" #~ msgid "Color by distance from the first atom." #~ msgstr "Color de la distància des d'el primer àtom." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Color per element (carboni = gris , oxigen = roig, … )." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Color del residu (tipus d'aminoàcid, hidrofobicitat , ..." #~ msgid "SMARTS Pattern:" #~ msgstr "Patró SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Color ressaltat:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Color del patró SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "" #~ "Color ressaltat de les característiques particulars amb concordança amb " #~ "el patró SMARTS." #~ msgid "Ununtrium" #~ msgstr "Ununtri" #~ msgid "Ununpentium" #~ msgstr "Ununpenti" #~ msgid "Ununseptium" #~ msgstr "Ununsepti" #~ msgid "Ununoctium" #~ msgstr "Ununocti" #~ msgid "Engines" #~ msgstr "Motors" #~ msgid "Axes" #~ msgstr "Eixos" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "" #~ "Representa les primitives utilitzant boles (àtoms) i bastons (enllaços)" #~ msgid "Hydrogen Bond" #~ msgstr "Enllaç d'hidrogen" #~ msgid "Renders hydrogen bonds" #~ msgstr "Representa els enllaços d'hidrogen" #~ msgid "Select Atom Labels Color" #~ msgstr "Selecciona les etiquetes de color dels àtoms" #~ msgid "Select Bond Labels Color" #~ msgstr "Selecciona les etiquetes de color dels enllaços" #~ msgid "Select Bond Labels Font" #~ msgstr "Selecciona les etiquetes de la font dels enllaços" #~ msgid "Polygon" #~ msgstr "Polígon" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Representa àtoms com tetraedres, octaedres i altres polígons" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Representa esquelet proteic com cintes" #~ msgid "Ring" #~ msgstr "Anell" #~ msgid "Renders rings with colored planes" #~ msgstr "Representa anells amb plans colorejats" #~ msgid "Simple Wireframe" #~ msgstr "Filferro senzill" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Representa els enllaços com línies, ideal per molècules llargues." #~ msgid "Van der Waals Spheres" #~ msgstr "Esferes de Van der Waals" #~ msgid "Stick" #~ msgstr "Bastons" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Densitat electrònica, isosuperfície= %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosuperfície = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Representa enllaços com línies (simplificades), ideal per biomolècules " #~ "molt grans" #~ msgid "Trajectory files" #~ msgstr "Fitxers de trajectoria" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Fitxers DL-POLY HISTORY" #~ msgid "Open Trajectory File" #~ msgstr "Obri fitxer de trajectòria" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Afig l'extensió .avi" #~ msgid "Animation..." #~ msgstr "Animació…" #~ msgid "Cannot read file format of file %1." #~ msgstr "No es pot llegir el format del fitxer %1" #~ msgid "Read trajectory file %1 failed." #~ msgstr "S'ha produït un error en llegir el fitxer %1 de trajectòria." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Cal especificar un nom .avi vàlid" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "El giny GL no s'ha inicialitzat de forma correcta per a alçar el vídeo" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "El nom de fitxer del vídeo no és vàlid. Cal incloure el camí del " #~ "directori complet" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "El nom de fitxer del vídeo no és vàlid. Cal incloure el camí del " #~ "directori complet i el nom, acabat en .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "No es pot determinar el format del fitxer de nom: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Anima trajectòries, reaccions i vibracions." #~ msgid "Cartesian Editor" #~ msgstr "Editor cartesià" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "No hi ha cel·la unitària definida per la molècula -- no es poden " #~ "utilitzar coordinades fraccionaries." #~ msgid "Cartesian Editor..." #~ msgstr "Editor cartesià..." #~ msgid "Cartesian editor" #~ msgstr "Editor cartesià" #~ msgid "Number of atoms: %1" #~ msgstr "Nombre d'àtoms: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Nombre d'enllaços angulars: %1" #~ msgid "Add constraint" #~ msgstr "Afigeix una restricció" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "La vostra molècula ha de contindre al menys un àtom per a afegir-hi una " #~ "restricció" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "La vostra molècula ha de contindre al menys dos àtoms per a afegir-hi una " #~ "restricció d'enllaç" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "La vostra molècula ha de contindre al menys tres àtoms per a afegir-hi " #~ "una restricció angular" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "La vostra molècula ha de contindre al menys quatre àtoms per a afegir-hi " #~ "una restricció de torsió" #~ msgid "Undefined" #~ msgstr "no definit" #~ msgid "Trajectory..." #~ msgstr "Trajectòria..." #~ msgid "Open chemical file format" #~ msgstr "Obri un format de fitxer químic" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Fitxers químics (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Obri un fitxer de paràmetres" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Fitxers químics (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importa una trajectòria" #~ msgid "Import trajectory files" #~ msgstr "Importa fitxers de trajectòria" #~ msgid "Calculate Energy" #~ msgstr "Calcula l'energia" #~ msgid "Conformer Search..." #~ msgstr "Cerca els confòrmers…" #~ msgid "Constraints..." #~ msgstr "Restriccions..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "No es pot establir el camp de forces per esta molècula. Canviant a UFF" #~ msgid "Systematic Rotor Search" #~ msgstr "Cerca sistemàtica del gir" #~ msgid "Random Rotor Search" #~ msgstr "Cerca aleatòria del gir" #~ msgid "Weighted Rotor Search" #~ msgstr "Cerca promediada del gir" #~ msgid "ForceField" #~ msgstr "Camp de forces" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimitza molècules i genera confòrmers utilitzant camps de força mecànic " #~ "moleculars" #~ msgid "&Vector Graphics..." #~ msgstr "&Gràfic vectorial..." #~ msgid "Common vector image formats" #~ msgstr "Formats comuns d'imatges vectorials" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Change H to Methyl" #~ msgstr "Canvia d'H a metil" #~ msgid "H to Methyl" #~ msgstr "H a metil" #~ msgid "H2Methyl" #~ msgstr "H2metil" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transforma hidrògens en grups metil" #~ msgid "Add or remove hydrogens" #~ msgstr "Afig o suprimeix hidrògens" #~ msgid "Peptide..." #~ msgstr "Pèptid" #~ msgid "Insert oligopeptide sequences" #~ msgstr "Insereix un seqüència d'oligopeptids" #~ msgid "InvertChiral" #~ msgstr "Inversióquiral" #~ msgid "Invert chiral centers" #~ msgstr "Centres d'inversió quiral" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "desconegut" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Moment dipolar estimat (D):" #~ msgid "Fetch by chemical name..." #~ msgstr "Importa per nom químic" #~ msgid "Fetch from URL..." #~ msgstr "Importa des d'URL..." #~ msgid "PDB Entry" #~ msgstr "Entrada PDB (base de dades de proteïnes)" #~ msgid "PDB entry to download." #~ msgstr "Entrada PDB a descarregar." #~ msgid "URL" #~ msgstr "Adreça URL" #~ msgid "URL of molecule to download." #~ msgstr "Adreça URL de la molècula a descarregar." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "La molècula especificada no s'ha carregat: %1" #~ msgid "Network Fetch" #~ msgstr "Importa la xarxa" #~ msgid "Fetch molecule files over the network." #~ msgstr "Posa els fitxers molecular sobre la xarxa." #~ msgid "Show Preview" #~ msgstr "Mostra la previsualització" #~ msgid "Hide Preview" #~ msgstr "Amaga la previsualització" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Alça la imatge de POV-Ray generada" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Fitxers d'imatge (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "No s'ha proporcionat cap nom de fitxer vàlid." #~ msgid "Does not compute." #~ msgstr "No concorda." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "No heu demanat cap generació POV-Ray i no podeu utilitzar cap fitxer POV-" #~ "Ray. Així no podreu alçar cap resultat. Esteu segur que això és el que " #~ "voleu ?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "No es pot escriure al fitxer %1. Esteu segurs de tindre permís " #~ "d'escriptura en este lloc?" #~ msgid "POV-Ray failed to start." #~ msgstr "S'ha produït un error en iniciar el POV-Ray." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "S'ha produït un error en iniciar el POV-Ray. Tal vegada podríeu comprovar " #~ "el camí a l'executable." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Crea fitxers POV-Ray i representa'ls utilitzant el programa d'ordes POV-" #~ "Ray." #~ msgid "Conformer Properties..." #~ msgstr "Propietats de l'estereoisòmer..." #~ msgid "Python Terminal" #~ msgstr "Terminal de python" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Terminal interactiu de guions de python" #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Avís del generador de fitxers d'entrada Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " #~ "panell de visualització de fitxers d'entrada dalton ?" #~ msgid "QM Matches" #~ msgstr "Concordances QM" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Selecció EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Selecció QM..." #~ msgid "Delete" #~ msgstr "Suprimeix" #~ msgid "You must make a selection!" #~ msgstr "Cal que feu una selecció" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "La conversió SMILES no és disponible" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "El format de conversió SMILES no és disponible !" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Crea fitxers d'entrada per al paquet químic quàntic GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "La configuració avançada ha canviat" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "La configuració avançada ha canviat. \n" #~ "Voleu descartar-ne els canvis ?" #~ msgid "Advanced Settings Reset" #~ msgstr "Reinicialització de la configuració avançada" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Esteu segurs de voler reinicialitzar la configuració ? \n" #~ "Tots els canvis es perdran!" #~ msgid "Basic Settings Reset" #~ msgstr "Reinicialització de la configuració bàsica" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Esteu segurs de voler reinicialitzar la configuració bàsica? \n" #~ "Tot els canvis es perdran!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Avís del generador d'entrada GAMESS-UK" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " #~ "panell d'entrada GAMESS-UK ?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Entrada GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Avís del generador d'entrada Gaussiana" #~ msgid "Gaussian Input Deck" #~ msgstr "Entrada Gaussiana" #~ msgid "Gaussian Running." #~ msgstr "Execució Gaussiana" #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "La Gaussiana s'està executant. Espereu fins que els càlculs previs hagen " #~ "finalitzat." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussià no instal·lat" #~ msgid "The G03 executable, cannot be found." #~ msgstr "L'executable G03 no s'ha trobat." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "" #~ "G03 no s'ha iniciat. Tal vegada no s'ha instal·lat de forma correcta." #~ msgid "Running Gaussian calculation..." #~ msgstr "Executant càlcul Gaussià..." #~ msgid "G03 Crashed." #~ msgstr "G03 Trencat." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "La Gaussiana no s'ha executat bé. Tal vegada no s'ha instal·lat de forma " #~ "correcta." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussià..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Avís de generador d'entrada Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " #~ "panell d'entrada Molpro?" #~ msgid "Molpro Input Deck" #~ msgstr "Entrada Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Avís d'entrada MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Entrada MOPAC" #~ msgid "MOPAC Running." #~ msgstr "Executant MOPAC" #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC està executant-se. Espereu fins que els càlculs hagen acabat." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC no instal·lat" #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "L'executable MOPAC, no és pot trobar." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC no s'ha iniciat. Tal vegada no està correctament instal·lat" #~ msgid "Running MOPAC calculation..." #~ msgstr "Executant el càlcul MOPAC..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC s'ha trencat." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC no s'executa correctament. Tal vegada no està correctament " #~ "instal·lat" #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Avís de generador d'entrada NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " #~ "panell d'entrada NWChem ?" #~ msgid "NWChem Input Deck" #~ msgstr "Entrada NWChem" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Avís del generador d'entrades Q-Chem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Voleu actualitzar el text visualitzat, perdent tots els canvis fets al " #~ "panell d'entrada de Q-Chem ?" #~ msgid "QChem Input Deck" #~ msgstr "Entrada QChem" #~ msgid "Select SMARTS..." #~ msgstr "Selecciona SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Afig una selecció per nom..." #~ msgid "SMARTS Selection" #~ msgstr "Selecció SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Patró SMART a seleccionar" #~ msgid "There is no current selection." #~ msgstr "Ni hi ha cap selecció actual." #~ msgid "Add Named Selection" #~ msgstr "Afig una selecció per nom" #~ msgid "Name cannot be empty." #~ msgstr "El nom no pot estar buit." #~ msgid "There is already a selection with this name." #~ msgstr "Ja hi ha una selecció amb este nom." #~ msgid "Selections" #~ msgstr "Seleccions." #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Selecciona àtoms, enllaços, residus..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL Shaders..." #~ msgid "Open a vertex shader source file" #~ msgstr "Obri un fitxer font de vertex shader" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Fitxers de vertex shader (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Obri un fitxer font de fragment shader" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fitxers de fragment shader (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Obri un fitxer de paràmetres shader" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Fitxers de paràmetres shader (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL Shaders" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Carrega i utilitza OpenGL 2.0 GLSL shader" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensitat (unitats arbitraries)" #~ msgid "Density of States (states/cell)" #~ msgstr "Densitat dels estats (estat/cel.la)" #~ msgid "Density of States (states/atom)" #~ msgstr "Densitat dels estats (estat/àtom)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Densitat dels estats (estat/electró de valència)" #~ msgid "Transmittance (%)" #~ msgstr "Transmitància (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbància (%)" #~ msgid "No intensities" #~ msgstr "Cap intensitat" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "La dada de vibració per la molècula que heu carregat no conté cap " #~ "intensitat. Les intensitats s'han establit a un valor arbitrari per la " #~ "seua visualització." #~ msgid "Activity" #~ msgstr "Activitat" #~ msgid "X Axis" #~ msgstr "Eix X" #~ msgid "Y Axis" #~ msgstr "Eix Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Paràmetres espectre &infraroig" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "RMN" #~ msgid "&NMR Spectra Settings" #~ msgstr "Paràmetres espectre RMN" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "Densitats dels estats" #~ msgid "&CD Settings" #~ msgstr "Paràmetres &CD" #~ msgid "&Raman Settings" #~ msgstr "Paràmetres &Raman" #~ msgid "No data" #~ msgstr "Sense dades" #~ msgid "Dark" #~ msgstr "Fosc" #~ msgid "Publication" #~ msgstr "Publicació" #~ msgid "Handdrawn" #~ msgstr "Dibuix a ma" #~ msgid "New Scheme" #~ msgstr "Nou esquema" #~ msgid "Confirm Scheme Removal" #~ msgstr "Confirma eliminació d'esquema" #~ msgid "Really remove current scheme?" #~ msgstr "Vols esborrar l'esquema actual?" #~ msgid "Change Scheme Name" #~ msgstr "Canvia Nom d'esquema" #~ msgid "Enter new name for current scheme:" #~ msgstr "Escriu nou nom per a l'esquema actual:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Valors separats per tabulador (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Valors separats per tabulador" #~ msgid "Comma Separated Values" #~ msgstr "Valors separats per coma" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Extensió desconeguda: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "Dada IR PWscf (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Dada IR turbomole (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Dada UV turbomole (espectre)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Dada CD turbomole (espectre cd)" #~ msgid "Data Format" #~ msgstr "Format de dada" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format:" #~ msgid "Load Spectral Data" #~ msgstr "Carrega les dades espectrals" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "El fitxer turbomole CD s'ha formatat de forma incorrecta: %1" #~ msgid "Portable Network Graphics" #~ msgstr "PNG" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "TIFF" #~ msgid "Windows Bitmap" #~ msgstr "Mapa de bits de Windows" #~ msgid "Portable Pixmap" #~ msgstr "Pixmap portable" #~ msgid "X11 Bitmap" #~ msgstr "Bitmap X11" #~ msgid "X11 Pixmap" #~ msgstr "Pixmap X11" #~ msgid "Save Spectra Image" #~ msgstr "Alça la imatge de l'espectre" #~ msgid "&Advanced <<" #~ msgstr "&Avançat <<" #~ msgid "&Advanced >>" #~ msgstr "&Avançat >>" #~ msgid "&Spectra..." #~ msgstr "&Espectre..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Visualitza les dades espectrals dels càlculs químics quàntics" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Anàlisis vibracional" #~ msgid "No vibrational displacements exist." #~ msgstr "No existeixen dislocaments vibracionals." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Mostra els modes vibracionals per als càlculs químics quàntics" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Eixida %1 vibracions per freqüència..." #~ msgid "Pause" #~ msgstr "Pausa" #~ msgid "Super Cell Builder..." #~ msgstr "Constructor de super cel·les ..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Este document és d'una molècula aïllada. Necessiteu crear una cel·la " #~ "unitat." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Construeix i visualitza super cel·les cristal·logràfiques" #~ msgid "Molecular Orbitals..." #~ msgstr "Orbitals moleculars..." #~ msgid "Orbitals" #~ msgstr "Orbitals" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Res" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Densitat electrònica" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Error - tipus no definit" #~ msgid "Calculating VdW Cube" #~ msgstr "Calculant el cub VdW" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Calculant MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Calcula orbitals moleculars i altres superfícies" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "L'estri GL no està correctament inicialitzat per enregistrar un vídeo" #~ msgid "GL widget has no molecule" #~ msgstr "L'estri GL no té cap molècula" #~ msgid "Building video " #~ msgstr "Codificant vídeo " #~ msgid "Could not run mencoder." #~ msgstr "No funciona mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Configura la relació d'aspecte" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "L'actual escena d'Avogadro té %1x%2 pixels d'ample i tanmateix té relació " #~ "d'aspecte %3.\n" #~ "Podeu utilitzar este valor, per exemple per utilitzar POV-Ray per produir " #~ "una imatge de %4x1000 pixels , o podeu entrar un altre valor positiu, \n" #~ "per exemple 1 si voleu utilitzar POV-Ray per produir una imatge quadrada " #~ "de d'aproximadament 1000x1000 pixels." #~ msgid "Connect" #~ msgstr "Connecta" #~ msgid "Disconnect" #~ msgstr "Desconnecta" #~ msgid "&WiiTrack" #~ msgstr "Pista&Wii" #~ msgid "Wii Tracking" #~ msgstr "Seguiment Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Moviment de tracció utilitzant Wii remotes" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Contexte OpenGL no vàlid. \n" #~ "Alguna cosa està completament trencada en la configuració OpenGL (podeu " #~ "executar alguna altre aplicació ?), o heu trobat un bug." #~ msgid "Debug Information" #~ msgstr "Informació desenvolupament" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Visualitza mida: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Àtoms: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: índex %1 fora de rang." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "El tipus de fitxer «%1» no té suportada la lectura." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "El tipus de fitxer per al fitxer «%1» no té suportada la lectura." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "" #~ "La lectura de la molècula amb índex %1 des del fitxer «%2» ha tingut " #~ "errades." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "Substitució de la molècula: índex %1 fora de rang." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "El tipus de fitxer «%1» no suporta l'escriptura." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "El tipus de fitxer per al fitxer «%1» no té suportada l'escriptura." #~ msgid "Could not open file '%1' for reading." #~ msgstr "No és pot obrir el fitxer «%1» per lectura." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "" #~ "La substitució de la molècula amb índex %1 al fitxer «%2» ha tingut " #~ "problemes." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "No es pot obrir el fitxer %1 per lectura." #~ msgid "File %1 can not be opened for writing." #~ msgstr "El fitxer %1 no és pot obrir per escriure-hi." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "L'alçat del fitxer molecular ha fallat - no és pot reanomenar el fitxer " #~ "original." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "L'alçat del fitxer molecular ha fallat - no és pot reanomenar el fitxer " #~ "nou." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "L'alçat del fitxer molecular ha fallat - no és pot reanomenar el fitxer " #~ "antic." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Ha fallat escriure una molècula al fitxer «%1». La funció OpenBabel ha " #~ "fallat." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "El fitxer %1 no és pot obrir per escriure-hi." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Ha fallat l'escriptura dels estereoisòmers al fitxer «%1»." #~ msgid "Molecule %1" #~ msgstr "Molècula %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Giny de python desconegut" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: comprobació " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - el guió no té cap 'Engine' class definit" #~ msgid " - no module" #~ msgstr " - no mòdul" #~ msgid "Unknown Python Extension" #~ msgstr "Extensió Python desconeguda" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: comprovant " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - el script no té cap 'Extension' class definit" #~ msgid "Unknown Python Tool" #~ msgstr "Eina de Python desconeguda" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: comprovant " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - el script no té cap 'Tool' class definida" #~ msgid "Tools" #~ msgstr "Eines" #~ msgid "Align:" #~ msgstr "Alinea:" #~ msgid "Everything" #~ msgstr "Tot" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: No es pot configurar el camp de forces..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Nombre de restriccions: %1" #~ msgid "Steps per Update:" #~ msgstr "Passes per actualizar:" #~ msgid "Algorithm:" #~ msgstr "Algorisme:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Dinàmica molecular (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dinàmica molecular (900K)" #~ msgid "Start" #~ msgstr "Inicia" #~ msgid "Fixed atoms are movable" #~ msgstr "Els àtoms fixats es poden moure" #~ msgid "Ignored atoms are movable" #~ msgstr "Els àtoms ignorats es poden moure" #~ msgid "AutoOpt Molecule" #~ msgstr "Molècula optimitzada automàticament" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Optimització automàtica de la geometria molecular" #~ msgid "AutoOptimization Settings" #~ msgstr "Configuració d'Autooptimització" #~ msgid "Auto Rotation Tool" #~ msgstr "Eina d'autogir" #~ msgid "x rotation:" #~ msgstr "rotació x:" #~ msgid "x rotation" #~ msgstr "rotació x" #~ msgid "y rotation:" #~ msgstr "rotació y:" #~ msgid "y rotation" #~ msgstr "rotació y" #~ msgid "z rotation:" #~ msgstr "rotació z:" #~ msgid "z rotation" #~ msgstr "rotació z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Rotació automàtica de molècules" #~ msgid "AutoRotate Settings" #~ msgstr "Configuració d'Autorotació" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Longitud de l'enllaç: %L1" #~ msgid " Show Angles" #~ msgstr " Visualitza Angles" #~ msgid "Snap-to Threshold: " #~ msgstr "Dur a la vora: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Manipula l'enllaç central" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulació de longituds d'enllaç, angles, i torsions" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Configuració de la manipulació de l'enllaç central" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distància (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distància (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Angle dièdric: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distància(es):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Mesura de longituds d'enllaç, angles i diedres" #~ msgid "Draw Bond" #~ msgstr "Dibuixa l'enllaç" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Dibuixa i edita àtoms i enllaços" #~ msgid "Draw Settings" #~ msgstr "Configuració de Dibuix" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Trasllada , rota, i ajusta àtoms i fragments" #~ msgid "Manipulate Settings" #~ msgstr "Configuració de manipulació" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Trasllada, rota i amplia al voltat de la vista actual" #~ msgid "Navigate Settings" #~ msgstr "Configuració de navegació" #~ msgid "Selection Mode:" #~ msgstr "Mode selecció:" #~ msgid "Atom/Bond" #~ msgstr "Àtom/Enllaç" #~ msgid "Residue" #~ msgstr "Residu" #~ msgid "Change color of the atom" #~ msgstr "Canvia el color de l'àtom" #~ msgid "Change label of the atom" #~ msgstr "Canvia l'etiqueta de l'àtom" #~ msgid "Change label of the bond" #~ msgstr "Canvia l'etiqueta de l'enllaç" #~ msgid "Change radius of the atom" #~ msgstr "Canvia el radi de l'àtom" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Nou radi, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Selecciona àtoms, residus i molècules" #~ msgid "Symbol" #~ msgstr "Símbol" #~ msgid "Bond Length" #~ msgstr "Longitud de l'enllaç" #~ msgid "Dihedral Angle" #~ msgstr "Angle dièdric" #~ msgid "Z Matrix Editor..." #~ msgstr "Editor de Matriu Z ..." #~ msgid "Z-Matrix" #~ msgstr "Matriu Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Crea/edita una matriu z" #~ msgid "Z-Matrix Settings" #~ msgstr "Configuració de Matriu Z" #~ msgid "Color residues by:" #~ msgstr "Residu de color de:" #~ msgid "Hydrophobicity" #~ msgstr "Hidrofobicitat" #~ msgid "Axes:" #~ msgstr "Eixos:" #~ msgid "Cartesian Axes" #~ msgstr "Eixos cartesians" #~ msgid "Orthogonal Axes" #~ msgstr "Eixos ortogonals" #~ msgid "Axis 1:" #~ msgstr "Eix 1:" #~ msgid "Axis 2:" #~ msgstr "Eix 2:" #~ msgid "Axis 3:" #~ msgstr "Eix 3:" #~ msgid "Norm" #~ msgstr "Normal" #~ msgid "Preserve vector norms" #~ msgstr "Preserva el vectors normals" #~ msgid "Atom Radius:" #~ msgstr "Radi de l'àtom:" #~ msgid "Bond Radius:" #~ msgstr "Radi de l'enllaç:" #~ msgid "Shape" #~ msgstr "Forma" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Cicle" #~ msgid "Dipole:" #~ msgstr "Dipol:" #~ msgid "Custom Vector" #~ msgstr "Vector personalitzat" #~ msgid "Custom:" #~ msgstr "Personalitzat:" #~ msgid "Cut-off radius:" #~ msgstr "Radi de tall:" #~ msgid "Cut-off angle:" #~ msgstr "Angle de tall:" #~ msgid "Rendering Engine:" #~ msgstr "Giny de dibuix:" #~ msgid "TextRenderer" #~ msgstr "TextRenderer" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Text:" #~ msgid "Symbol & Number in Group" #~ msgstr "Símbol i nombre del grup" #~ msgid "Symbol & Atom number" #~ msgstr "Símbol i nombre atòmic" #~ msgid "Residue number" #~ msgstr "Nombre de residu" #~ msgid "Custom data" #~ msgstr "Dada" #~ msgid "Change Font" #~ msgstr "Canvia la font" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Etiqueta a canviar:" #~ msgid "Bond length" #~ msgstr "Longitud d'enllaç" #~ msgid "Bond number" #~ msgstr "Nombre d'enllaç" #~ msgid "Bond order" #~ msgstr "Orde d'enllaç" #~ msgid "Radius:" #~ msgstr "Radi:" #~ msgid "Include Nitrogens" #~ msgstr "Inclou els nitrogens" #~ msgid "VdW Opacity:" #~ msgstr "Opacitat de VdW:" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Render:" #~ msgstr "Representa:" #~ msgid "Fill" #~ msgstr "Omple" #~ msgid "Points" #~ msgstr "Punts" #~ msgid "Draw Box:" #~ msgstr "Caixa de dibuix:" #~ msgid "Mapped Colors" #~ msgstr "Colors dibuixats" #~ msgid "Positive" #~ msgstr "Positiu" #~ msgid "Negative" #~ msgstr "Negatiu" #~ msgid "Show Atoms" #~ msgstr "Mostra els àtoms" #~ msgid "Animate Trajectory" #~ msgstr "Anima la trajectoa" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Cicle" #~ msgid "Save as .avi..." #~ msgstr "Anomena i alça com a .avi…" #~ msgid "Bohrs" #~ msgstr "Bohrs" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, sols coordenades" #~ msgid "GAMESS Input #2" #~ msgstr "Entrada GAMESS #2" #~ msgid "Priroda Input" #~ msgstr "Entrada priroda" #~ msgid "Apply Changes" #~ msgstr "Aplica els canvis" #~ msgid "Cut All" #~ msgstr "Talla-ho tot" #~ msgid "Paste to the End" #~ msgstr "Enganxa fins el final" #~ msgid "(None)" #~ msgstr "(cap)" #~ msgid "Sort by " #~ msgstr "ordenat per " #~ msgid "Number of atoms:" #~ msgstr "Nombre d'àtoms:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Nombre d'enllaços angulars:" #~ msgid "Ignore Atom" #~ msgstr "Ignora l'àtom" #~ msgid "Fix Atom" #~ msgstr "Fixa l'àtom" #~ msgid "Fix Atom X" #~ msgstr "Fixa l'àtom X" #~ msgid "Fix Atom Y" #~ msgstr "Fixa l'àtom Y" #~ msgid "Fix Atom Z" #~ msgstr "Fixa l'àtom Z" #~ msgid "Torsion angle" #~ msgstr "Angle de torsió" #~ msgid "Add" #~ msgstr "Afegix" #~ msgid "Save" #~ msgstr "Alça" #~ msgid "Load" #~ msgstr "Carrega" #~ msgid "Cartesian" #~ msgstr "Cartesià" #~ msgid "All" #~ msgstr "Tots" #~ msgid "File Import..." #~ msgstr "Importa el fitxer..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Voleu Intentar detectar els enllaços?" #~ msgid "Setup Force Field" #~ msgstr "Configura el camp de forces" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Nombre de passos" #~ msgid "Algorithm" #~ msgstr "Algoritme" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Arginina" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Asparagina" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "Àcid aspartic" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Cisteina" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "Àcid glutàmic" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Glutamina" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Glicina" #~ msgid "Gly" #~ msgstr "Gly" #~ msgid "Histidine" #~ msgstr "Histidina" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "Isoleucina" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyr" #~ msgstr "Tir" #~ msgid "Tryptophan" #~ msgstr "Triptòfan" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "Treonina" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "Serina" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Prolina" #~ msgid "Phenylalanine" #~ msgstr "Fenilalanina" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "Metionina" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Lisina" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "Leucina" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "Seqüència (N a C):" #~ msgid "Stereochemistry:" #~ msgstr "Estereoquímica:" #~ msgid "L" #~ msgstr "L" #~ msgid "N Terminus:" #~ msgstr "N-terminal" #~ msgid "C Terminus:" #~ msgstr "C-terminal" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Straight Chain" #~ msgstr "Cadena recta" #~ msgid "Alpha Helix" #~ msgstr "Hèlix alfa" #~ msgid "Beta Sheet" #~ msgstr "Làmina beta" #~ msgid "Pi Helix" #~ msgstr "Hèlix Pi" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "Chain Number:" #~ msgstr "Cadena número:" #~ msgid "The chain number for the new peptide" #~ msgstr "El nombre de cadena per al següent pèptid" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Número de residus:" #~ msgid "Dipole Moment (D):" #~ msgstr "Moment dipolar (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Avançat" #~ msgid "Grid" #~ msgstr "Graella" #~ msgid "POV-Ray Export" #~ msgstr "Exporta a POV-Ray" #~ msgid "Select..." #~ msgstr "Selecciona..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Utilitza l'antialisat a tota l'escena" #~ msgid "Antialias" #~ msgstr "Antiàlies" #~ msgid "Set the background color to be transparent" #~ msgstr "Posa el color de fons transparent" #~ msgid "Alpha transparency" #~ msgstr "Transparència alfa" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Representa la molècula directament utilitzant la orde POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "" #~ "Conserva el codi font de POV-Ray després que la representació s'haja " #~ "completat" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Conserva el codi font de POV-Ray després de la representació" #~ msgid "Path:" #~ msgstr "Camí:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Compute..." #~ msgstr "Calcula..." #~ msgid "Basics" #~ msgstr "Bàsics" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Afig el que teclegis a la línia de títol del fitxer d'entrada \n" #~ "per a propòsits informatius" #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Estil de pople" #~ msgid "Jensen's polarization consistent" #~ msgstr "Polarització consistent de Jensen" #~ msgid "Dunning's correlation consistent" #~ msgstr "Correlació consistent de Dunning" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Funcions de correlació de la base" #~ msgid "Diffuse functions" #~ msgstr "Funcions difuses" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Directe" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Executa en paral·lel sempre que siga possible. Això sols és possible " #~ "per \n" #~ "funcions SCF i càlculs DFT. Dalton sols suporta MPI a la versió actual i " #~ "cal\n" #~ "compilar-lo i instal·lar-lo de forma correcta. El nombre de nodes estan " #~ "establerts utilitzant \n" #~ "la opció \"-N #\" quan s'executa el script «dalton»." #~ msgid "Parallel" #~ msgstr "Paral·lel" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Especificació de xarxa:" #~ msgid "Partitioning Scheme:" #~ msgstr "Esquema de particionat:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (original)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Qualitat de la xarxa:" #~ msgid "coarse" #~ msgstr "grosa" #~ msgid "normal" #~ msgstr "normal" #~ msgid "fine" #~ msgstr "fina" #~ msgid "ultrafine" #~ msgstr "ultrafina" #~ msgid "Radial Scheme:" #~ msgstr "Esquema radial:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Mostra totes les funcions" #~ msgid "Property:" #~ msgstr "Característica:" #~ msgid "Polarizability" #~ msgstr "Polaritzabilitat" #~ msgid "Frequency Dependent" #~ msgstr "Freqüència dependent" #~ msgid "No. excitations:" #~ msgstr "Nombre excitacions:" #~ msgid "EFP Matches" #~ msgstr "Resultats EFP" #~ msgid "Group Label:" #~ msgstr "Etiqueta de grup:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "Configuració &avançada" #~ msgid "Hessian" #~ msgstr "Hessià" #~ msgid "Stat Point" #~ msgstr "Punt d'estat" #~ msgid "System" #~ msgstr "Sistema" #~ msgid "MO Guess" #~ msgstr "Conjectura MO" #~ msgid "Misc" #~ msgstr "Miscel·lània" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "# Funcions de polarització D del àtoms pesants :" #~ msgid "Read" #~ msgstr "Llig" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Difusió capa S als àtoms pesants" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Difusió capa L als àtoms pesants" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Doble valència zeta" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Triple valència zeta" #~ msgid "SBKJA Valence" #~ msgstr "València SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "València Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Tipus ECP" #~ msgid "Default" #~ msgstr "Per defecte" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "# Funcions de polarització F dels àtoms pesants:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "# Funcions de polarització dels àtoms lleugers:" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Max SCF Iterations:" #~ msgstr "Iteracions Max SCF:" #~ msgid "Gradient" #~ msgstr "Gradient" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "Punt Saddle" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Gradient extrem" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Transició radiactiva mom." #~ msgid "Spin Orbit" #~ msgstr "Spin Orbita" #~ msgid "Finite Electric Field" #~ msgstr "Camp elèctric finit" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Optimització global" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Optimització FMO" #~ msgid "Raman Intensities" #~ msgstr "Intensitats Raman" #~ msgid "Make EFP" #~ msgstr "Fes EFP" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Cap (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Tipus SCF:" #~ msgid "Localization Method:" #~ msgstr "Mètode de localització:" #~ msgid "Exec Type:" #~ msgstr "Tipus Exec:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Determinant Lab. Ames" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Espai actiu múltiple restrictiu de la ocupació" #~ msgid "CI Singles" #~ msgstr "CI Singles" #~ msgid "Full Second Order CI" #~ msgstr "Cl ple de segon orde" #~ msgid "General CI" #~ msgstr "Cl general" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Linearitzat CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC amb dobles" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC amb simples i dobles" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Execució normal" #~ msgid "Check" #~ msgstr "Comprova" #~ msgid "Debug" #~ msgstr "Depura" #~ msgid "Molecule Charge:" #~ msgstr "Carrega molecular:" #~ msgid "Run Type:" #~ msgstr "Executa el tipus:" #~ msgid "Use MP2" #~ msgstr "Utilitza MP2" #~ msgid "Use DFT" #~ msgstr "Utilitza DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# de les variables de la matriu Z" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Orde dels eixos principals:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Coordenades cartesianes úniques" #~ msgid "Hilderbrant internals" #~ msgstr "interiors de Hilderbrant" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Utilitza simetria durant el càlcul" #~ msgid "Point Group:" #~ msgstr "Grup del punt:" #~ msgid "Minutes" #~ msgstr "Minuts" #~ msgid "Hours" #~ msgstr "Hores" #~ msgid "Days" #~ msgstr "Dies" #~ msgid "Weeks" #~ msgstr "Setmanes" #~ msgid "Years" #~ msgstr "Anys" #~ msgid "Millenia" #~ msgstr "Mil·lennis" #~ msgid "MegaWords" #~ msgstr "Mega paraules" #~ msgid "MegaBytes" #~ msgstr "Megabytes" #~ msgid "GigaWords" #~ msgstr "Giga paraules" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Mètodes de força paral·lela" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Producte «core» fitxer sobre la interrupció" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memòria:" #~ msgid "Diagonalization Method:" #~ msgstr "Mètode de diagonalització:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Tipus del balanç de càrrega paral·lel" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Cicle" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Següent valor" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Utilitzeu dades externes per representar el missatges" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO llegit ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO alçat (DICTNRY)" #~ msgid "Skip" #~ msgstr "Omet" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Gira els orbitals alfa i beta" #~ msgid "Print the Initial Guess" #~ msgstr "Imprimeix la conjectura inicial" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Interfície GAMESS per als altres codis" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Força el funcionament a prova" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (Versió UK)" #~ msgid "Solvate with Water" #~ msgstr "Solvata amb aigua" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Genera els orbitals naturals UHF" #~ msgid "Direct SCF" #~ msgstr "SCF directe" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "El càlcul sols ha canviat la matriu de Fock" #~ msgid "Slater exchange" #~ msgstr "Intercanvi Slater" #~ msgid "Becke 1988 exchange" #~ msgstr "Intercanvi Becke 1988" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Correlació Vosko-Wilk-Nusair (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Correlació Lee-Yang-Parr" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Intercanvi Slater + Correlació VWN" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: Intercanvi BECKE + Correlació VWN5" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: Intercanvi BECKE + Correlació LYP" #~ msgid "Gill 1996 exchange" #~ msgstr "Intercanvi Gill 1996" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Intercanvi Perdew-Burke-Ernzerhof (PBE)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: Correlació progressiva un-paràmetre" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Correlació Lee-Yang-Parr (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + Correlació OP" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: Intercanvi BECKE +Correlació OP" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: Intercanvi GILL + Correlació VWN5" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: Intercanvi GILL + Correlació LYP" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: Intercanvi PBE +Correlació VWN6" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: Intercanvi PBE +Correlació LYP" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: Intercanvi PBE + Correlació OP" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: Intercanvis HF i BECKE + Correlació LYP" #~ msgid "Grid-Free" #~ msgstr "Graella lliure" #~ msgid "AO Integral Storage" #~ msgstr "Emmagatzemament integral AO" #~ msgid "Duplicated on Each Node" #~ msgstr "Duplicat en cada node" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distribuït a través de tots els nodes" #~ msgid "words" #~ msgstr "paraules" #~ msgid "Compute MP2 Properties" #~ msgstr "Calcula les propietats MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Integral de Retenció Cutoff:" #~ msgid "Use Localized Orbitals" #~ msgstr "Utilitza orbitals localitzats" #~ msgid "# of Core Electrons:" #~ msgstr "# dels electrons base:" #~ msgid "Two Phase Bin Sort" #~ msgstr "Ordenament per caselles bifàsic" #~ msgid "Segmented Transformation" #~ msgstr "Transformació segmentada" #~ msgid "Numeric" #~ msgstr "Numèric" #~ msgid "Double Differenced Hessian" #~ msgstr "Hessià derivada parcial segona" #~ msgid "Print Internal Force Constants" #~ msgstr "Imprimeix constants de les forces internes" #~ msgid "Displacement Size:" #~ msgstr "Mida del desplaçament:" #~ msgid "Purify Hessian" #~ msgstr "Neteja el Hessià" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Hessià inicial" #~ msgid "Guess (+ define)" #~ msgstr "Conjectura ( + defineix)" #~ msgid "Read (from $HESS)" #~ msgstr "Lectura ( des de $HESS)" #~ msgid "Update Step Size" #~ msgstr "Actualitza la mida del pas" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Imprimeix els orbs. en cada iteració" #~ msgid "Stationary Point" #~ msgstr "Punt estacionari:" #~ msgid "Initial:" #~ msgstr "Inicial:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Funció d'optimització racional" #~ msgid "Quadratic Approximation" #~ msgstr "Aproximació quadràtica" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Optimització de les restriccions" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Recalcula el hessià cada:" #~ msgid "Follow Mode:" #~ msgstr "Mode de seguiment:" #~ msgid "GAMESS-UK Input" #~ msgstr "Entrada GAMESS-UK" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Entrada GAMESS-UK generada per Avogadro" #~ msgid "Transition State Search" #~ msgstr "Cerca estat de transició" #~ msgid "Basis:" #~ msgstr "Base:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Matriu Z" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "En el mode directe, les integrals no són emmagatzemades al disc, però el " #~ "recàlcul és necessari.\n" #~ "Als sistemes moderns amb processadors ràpids i discs lents, el mode " #~ "directe és normalment ràpid." #~ msgid "Run in direct mode:" #~ msgstr "Executa en mode directe:" #~ msgid "Gaussian Input" #~ msgstr "Entrada gaussiana" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Estàndard" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Punt de comprovació:" #~ msgid "Z-matrix (compact)" #~ msgstr "Matriu Z (compacta)" #~ msgid "MOLPRO Input" #~ msgstr "Entrada MOLPRO:" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Molpro Versió:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "Quartet" #~ msgstr "Quartet" #~ msgid "Quintet" #~ msgstr "Quintet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Entrada NWChem" #~ msgid "Q-Chem Input" #~ msgstr "Entrada Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Load Shaders" #~ msgstr "Carrega Shaders" #~ msgid "Shader Name:" #~ msgstr "Nom de Shader:" #~ msgid "Vertex Shader:" #~ msgstr "Vertex Shader:" #~ msgid "Fragment Shader:" #~ msgstr "Fragment Shader:" #~ msgid "Assign Shader" #~ msgstr "Assigna shader" #~ msgid "Display Type:" #~ msgstr "Tipus de visualització:" #~ msgid "Font:" #~ msgstr "Tipus de lletra:" #~ msgid "Change Font..." #~ msgstr "Canvia el tipus de lletra..." #~ msgid "New..." #~ msgstr "Nou..." #~ msgid "Rename..." #~ msgstr "Reanomena..." #~ msgid "&Schemes:" #~ msgstr "E&squemes:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Amplada:" #~ msgid "&Height" #~ msgstr "&Alçada" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "a" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Utilitza un valor optimitzat per la mida del tipus de lletra en lloc del " #~ "valor especificat a l'esquema (la pantalla de la mida dels punts de la " #~ "imatge no els tradueix bé!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Aut&o ajusta mida del tipus de lletra" #~ msgid "Spectra Tab" #~ msgstr "Pestanya espectral" #~ msgid "&Gaussian Width:" #~ msgstr "Amplada del &Gaussià:" #~ msgid "&Label peaks" #~ msgstr "Etiquetes de&ls pics" #~ msgid "Rotatory Strength type:" #~ msgstr "Tipus de força angular:" #~ msgid "Energy units:" #~ msgstr "Unitats d'energia:" #~ msgid "Density units" #~ msgstr "Unitats de densitat" #~ msgid "Fermi Energy: " #~ msgstr "Energia de Fermi: " #~ msgid "States / Cell" #~ msgstr "Estats / cel·la" #~ msgid "States / Atom" #~ msgstr "Estats / Àtom" #~ msgid "States / Valence electron" #~ msgstr "Estats / València electró" #~ msgid "Fermi energy at zero" #~ msgstr "Energia de Fermi a cero" #~ msgid "Scale integrated DOS" #~ msgstr "Escala integrada DOS" #~ msgid "Show integrated DOS" #~ msgstr "Mostra integrada DOS" #~ msgid "tab_IR_Raman" #~ msgstr "pestanya_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "Unitats &Y eix:" #~ msgid "Scaling Type:" #~ msgstr "Tipus d'escalat:" #~ msgid "Relative" #~ msgstr "Relativa" #~ msgid "Laser Wavenumber:" #~ msgstr "Número d'ona del laser." #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "pestanya_NMR" #~ msgid "Gaussian &Width:" #~ msgstr "A&mplada Gaussiana:" #~ msgid "Reset &Plot Axes" #~ msgstr "Re-dibuixa eixos de la funció" #~ msgid "Label Peaks:" #~ msgstr "Etiqueta dels pics:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Vibracions moleculars" #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Activitat (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "Vi&sualitza l'espectre..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "vibracions d'alta freqüència mostraran el moviment més ràpid" #~ msgid "Animation speed set by frequency" #~ msgstr "Velocitat de l'animació establerta per la freqüència" #~ msgid "Display force &vectors" #~ msgstr "Mostra &vectors de força" #~ msgid "&Normalize displacements" #~ msgstr "&Normalitza les dislocacions" #~ msgid "&Recalculate All" #~ msgstr "&Re-calcula-ho tot" #~ msgid "Default &Quality:" #~ msgstr "&Qualitat per defecte:" #~ msgid "Show occupied orbitals first" #~ msgstr "Mostra primer els orbitals ocupats" #~ msgid "Surface Type:" #~ msgstr "Tipus de superfície" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Baix" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Mitjà" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Alt" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Molt Alt" #~ msgid "Isosurface cutoff value" #~ msgstr "Valor de la drecera d'isosuperfície" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Tipus en la mostra:" #~ msgid "New Display" #~ msgstr "Nova mostra" #~ msgid "Advanced..." #~ msgstr "Avançat..." #~ msgid "Display visual cues" #~ msgstr "Mostra la senyal visual" #~ msgid "Python Settings" #~ msgstr "Configuració de python" #~ msgid "Z Matrix Editor" #~ msgstr "Editor de matriu Z" avogadrolibs-1.100.0/i18n/cs.po000066400000000000000000012636121474375334400161020ustar00rootroot00000000000000# Czech translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # # FIRST AUTHOR , 2008. # Pavel Fric , 2009, 2012. # Pavel Fric , 2010. # Martin Slavík , 2023. # LibreTranslate , 2024. # Tomáš Poláček , 2024. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-16 14:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Czech \n" "Language: cs\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=3; plural=((n==1) ? 0 : (n>=2 && n<=4) ? 1 : 2);\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Referenční soubor '%1' neexistuje." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "Chyba při vyplňování souboru %1: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, fuzzy, qt-format msgid "%1 Input Generator" msgstr "%1 Tvůrce vstupu" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Pokračovat" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Zavřít" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Neznámý" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Vodík" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Lithium" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Beryllium" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Uhlík" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Dusík" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Kyslík" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Sodík" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Hořčík" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Hliník" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Křemík" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Síra" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Chlor" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Draslík" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Vápník" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Skandium" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titan" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanad" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Chrom" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Hořčík" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Železo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nikl" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Měď" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Zinek" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arzén" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selen" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Stroncium" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Yttrium" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirkon" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niob" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molybden" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Technecium" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Ruthenium" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rhodium" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Stříbro" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Kadmium" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Cín" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Tellur" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Jód" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Cezium" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lanthan" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cer" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodymi" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodymi" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Promethium" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Thulium" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Wolfram" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Rhenium" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platina" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Zlato" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Rtuť" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Thallium" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Olovo" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bismut" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astat" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Actinium" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Thorium" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protactinium" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uran" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Americium" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Californium" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Roentgenium" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Copernicium" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moscovium" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tennessin" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Všechny soubory" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Název" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 #, fuzzy msgid "Theory" msgstr "Teorie" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Základ" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "Náboj" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "Multiplicita" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Koule a tyče" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Předloha" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipólový moment:" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Síla" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Značka" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 #, fuzzy #| msgid "QTAIM" msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Drátěná kostra" #: qtgui/moleculemodel.cpp:92 #, fuzzy msgid "Untitled" msgstr "bez názvu" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodická tabulka" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Přidat atom" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Odstranit atom" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Upravit Vodíky" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Změnit prvek" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Změnit prvek" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Přidat vazbu" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 #, fuzzy msgid "Clear Bonds" msgstr "Smazat vazbu" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Změnit druh vazby" #: qtgui/rwmolecule.cpp:369 #, fuzzy msgid "Update Bonds" msgstr "Zapadnout do vazeb" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 #, fuzzy msgid "Remove Unit Cell" msgstr "Odstranit jednotkovou buňku" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 #, fuzzy msgid "Wrap Atoms to Cell" msgstr "Zabalit atomy do buňky" #: qtgui/rwmolecule.cpp:522 #, fuzzy msgid "Scale Cell Volume" msgstr "Změnit velikost objemu jednotkové buňky" #: qtgui/rwmolecule.cpp:542 #, fuzzy msgid "Build Super Cell" msgstr "Superbuňka" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "Otočit do obvyklého natočení" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 #, fuzzy msgid "Reduce to Primitive" msgstr "Zmenšit na základní buňku" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Vyplnit jednotkovou buňku" #: qtgui/rwmolecule.cpp:702 #, fuzzy msgid "Reduce Cell to Asymmetric Unit" msgstr "Redukovat na Asymetrickou jednotku" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 #, fuzzy #| msgid "&Settings" msgid "Settings" msgstr "Nastavení" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Soubor" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "&Exportovat" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Sestavení" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Prvek:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Zarovnání" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" "Zarovnat molekuly\n" "\n" "Levé tlačítko myši: \tVybrat až dva atomy.\n" "\tPrvní atom je vystředěn při původním.\n" "\tDruhý atom je zarovnán vůči vybrané ose.\n" "Pravé tlačítko myši: \tNastavit zarovnání znovu.\n" "Dvojité klepnutí: \tVystředit atom při původním." #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Osa:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Zarovnat molekuly ke kartézským osám" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, fuzzy msgid "IO Error" msgstr "Chyba" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Chyba" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "Úspěch" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "Vlastní barva…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "Prvek" #: qtplugins/applycolors/applycolors.cpp:72 #, fuzzy msgid "By Chain" msgstr "řetězce" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy #| msgid "Partial Charge" msgid "By Partial Charge…" msgstr "Částečný náboj…" #: qtplugins/applycolors/applycolors.cpp:82 #, fuzzy msgid "By Secondary Structure" msgstr "druhotnou strukturu" #: qtplugins/applycolors/applycolors.cpp:87 #, fuzzy msgid "By Amino Acid" msgstr "Aminokyseliny" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 #, fuzzy #| msgid "Spectra" msgctxt "colormap" msgid "Spectral" msgstr "Spektra" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Zobrazit" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 #, fuzzy msgid "Color Residues" msgstr "Barva zbytku" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Ukázat násobné vazby" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Úpravy zaměřené na vazbu" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Úpravy zaměřené na vazbu" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "Vazba" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Páteř" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Stuha" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Předloha" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Předloha" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Přidat střed hmoty" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "Rozšíření" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #, fuzzy msgid "Scripts" msgstr "Skripty" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 #, fuzzy #| msgid "Other" msgid "Other…" msgstr "jiné…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "Editor pro souřadnice…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "Editor pro souřadnice" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Název prvku." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Symbol prvku." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Atomové indexy." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Atomové číslo." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 #, fuzzy msgid "X coordinate." msgstr "X Souřadnice." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 #, fuzzy msgid "Y coordinate." msgstr "Y Souřadnice." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 #, fuzzy msgid "Z coordinate." msgstr "Z Souřadnice." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Vlastní" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Vstup Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 #, fuzzy msgid "Copy" msgstr "Kopírovat" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 #, fuzzy msgid "Clear" msgstr "Vymazat" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 #, fuzzy msgid "Copy As" msgstr "Kopírovat jako" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energie" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 #, fuzzy msgid "Molecular Dynamics" msgstr "Molekulární dynamika" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 #, fuzzy msgid "Geometry Optimization" msgstr "Optimalizace uspořádání" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 #, fuzzy msgid "Molecular Mechanics" msgstr "Molekulární mechanika" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "ŽÁDNÝ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 #, fuzzy msgid "Conjugate Gradients" msgstr "Sdružovat přechody" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 #, fuzzy msgid "Steepest descent" msgstr "Nejstrmější pokles" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy msgid "Import Crystal from Clipboard…" msgstr "Zavést krystal ze schránky…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy msgid "Edit Unit Cell…" msgstr "Vazební jednotkovou buňku…" #: qtplugins/crystal/crystal.cpp:57 #, fuzzy msgid "&Wrap Atoms to Unit Cell" msgstr "&Zabalit atomy do buňky" #: qtplugins/crystal/crystal.cpp:63 #, fuzzy msgid "Rotate to Standard &Orientation" msgstr "&Otočit do obvyklého natočení" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy msgid "Scale Cell &Volume…" msgstr "Změnit velikost buňky k &objemu…" #: qtplugins/crystal/crystal.cpp:74 #, fuzzy msgid "Build &Supercell…" msgstr "&Superbuňka" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Zmenšit buňku (&titěrná)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "&Crystal" msgstr "Krystal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Odstranit &jednotkovou buňku" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Přidat &jednotkovou buňku" #: qtplugins/crystal/crystal.cpp:168 #, fuzzy msgid "Import Crystal from Clipboard" msgstr "Zavést krystal ze schránky" #: qtplugins/crystal/crystal.cpp:175 #, fuzzy #| msgid "&Keep atoms in unit cell" msgid "Wrap atoms into the unit cell." msgstr "Zachovat atomy v jednotkové buňce." #: qtplugins/crystal/crystal.cpp:177 #, fuzzy #| msgid "Rotate to Standard Orientation" msgid "Rotate the unit cell to the standard orientation." msgstr "Otočit do obvyklého natočení" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 #, fuzzy msgid "The unit cell is already reduced." msgstr "Tato jednotková buňka je již zmenšena." #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "Krystal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Text nelze zpracovat" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Nakreslit" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Nakreslit Atom" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Vzdálenost:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Jednoduchá" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Dvojná" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Trojná" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 #, fuzzy msgid "&Import" msgstr "&Import" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Natáhnout z PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Chemická struktura ke stažení." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Stažení přes síť selhalo" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Vypršení času na síti nebo jiná chyba." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Zadanou molekulu nelze najít: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Natáhnout z PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 #, fuzzy msgid "Optimize Geometry" msgstr "Vyladit uspořádání" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Nastavit…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy #| msgid "Import Selected Atoms" msgid "Freeze Selected Atoms" msgstr "Upevnit vybrané atomy" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "Vypočítat" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Energie = %L1 %2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield optimization" msgstr "Optimalizace silového pole" #: qtplugins/forcefield/forcefield.h:50 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" msgstr "Optimalizace silového pole" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "&GAMESS" msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Vstup GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "Energie jednoho bodu" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Uspořádání rovnováhy" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Stav přechodu" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Kmitočty" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Jaderný potenciál" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Plyn" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Voda" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Jednoelektronová vazebná energie (částice s nulovou vazebnou silou)" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Dvousložková spektrální čára" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Dikationt" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Kationt (klaný iont)" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neutrální částice" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Aniont (záporně nabitý iont)" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianiont" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Upravit Vodíky" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Přidat vodíkové atomy" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Odstranit vodíkové atomy" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "Vodíkové atomy" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Vodíkové atomy" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 #, fuzzy #| msgid "DNA/RNA..." msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Vložit" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy #| msgid "Insert DNA/RNA" msgid "Insert DNA/RNA…" msgstr "Vložit DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "Uracil" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "Thymin" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 #, fuzzy #| msgid "Molecule" msgid "Insert Molecule…" msgstr "Vložit Molekula…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy #| msgid "Insert DNA" msgid "InsertDNA" msgstr "Vložit DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "Molekula…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Krystal…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "Import krystalu" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Vložit fragment" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Vložit fragment" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Vložit fragmenty molekul pro sestavení větších molekul." #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "Barva:" #: qtplugins/label/label.cpp:170 #, fuzzy msgid "Distance from center:" msgstr "Vzdálenost od centra:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Není" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "Jedinečné ID" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Prvek" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 #, fuzzy #| msgid "&LAMMPS..." msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Chcete zaktualizovat text náhledu? Všechny změny provedené v náhledové " "tabulce zadávací vrstvy Lammps budou ztraceny." #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Průhlednost" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Upravit" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Měření" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Střechan:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Úhel:" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "Úhel:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(čekající na vyřízení)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy #| msgid "Molecular Graph..." msgid "&Molecular…" msgstr "&Molekulární…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 #, fuzzy msgid "&Analysis" msgstr "&Analytická" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Vlastnosti" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Vlastnosti molekul" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Vlastnosti molekuly" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 #, fuzzy #| msgid "&Export" msgid "Export CSV" msgstr "Exportovat CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 #, fuzzy #| msgid "WFN files (*.wfn);;All files (*.*)" msgid "CSV Files (*.csv);;All Files (*)" msgstr "Soubory CSV (*.csv);;Všechny soubory (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 #, fuzzy #| msgid "Could not open file '%1' for writing." msgid "Could not open the file for writing." msgstr "Nepodařilo se otevřít soubor '%1' pro zápis." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy #| msgid "&Export" msgid "Export…" msgstr "Exportovat…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Pohyb" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Chemický název" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 #, fuzzy msgid "Configure Force Field…" msgstr "Nastavit silové pole…" #: qtplugins/openbabel/openbabel.cpp:59 #, fuzzy #| msgid "Conformer Search" msgid "Conformer Search…" msgstr "Hledání konformačního izomeru…" #: qtplugins/openbabel/openbabel.cpp:65 #, fuzzy msgid "Perceive Bonds" msgstr "Rozpoznat vazby" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Přidat vodíkové atomy pro pH…" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "Odstranit vodíkové atomy" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Vyladit uspořádání (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 #, fuzzy #| msgid "Conformer" msgid "Generate Conformers" msgstr "Konformační izomer" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Přidat vodíkové atomy (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "Přidat vodíkové atomy pro pH" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Odstranit vodíkové atomy (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Chtěl byste obnovit text náhledu? Všechny změny provedené v náhledové " "tabulce zadávací vrstvy OpenMM budou ztraceny." #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Zastavit" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 #, fuzzy msgid "Frame:" msgstr "Snímky:" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 #, fuzzy msgid "Dynamic bonding?" msgstr "Dynamické vazby" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "Video soubory (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 #, fuzzy msgid "Save File" msgstr "Uložit soubor" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Valence" #: qtplugins/propertytables/propertymodel.cpp:503 #, fuzzy msgid "Formal Charge" msgstr "Formální náboj" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "Barva" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Typ" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "Počáteční atom" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Koncový atom" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Druh vazby" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Délka (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 #, fuzzy msgid "Chain" msgstr "řetězce" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Atom 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Vrchol" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Atom 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Úhel (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Atom 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Atom 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 #, fuzzy #| msgid "Insert Fragment" msgid "Adjust Fragment" msgstr "Upravit fragment" #: qtplugins/propertytables/propertymodel.cpp:933 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "Šroubovice" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "Šroubovice" #: qtplugins/propertytables/propertymodel.cpp:939 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "List" #: qtplugins/propertytables/propertymodel.cpp:941 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Šroubovice 3-10" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "Vlastnosti atomu…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "Vlastnosti vazby…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Vlastnosti úhlu…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy #| msgid "Torsion Properties" msgid "Torsion Properties…" msgstr "Vlastnosti zkroucení…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "Okna pro zobrazení vlastností atomů, vazeb, úhlů a zkroucení." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Vlastnosti" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Vlastnosti atomu" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Vlastnosti vazby" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Vlastnosti úhlu" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Vlastnosti zkroucení" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Vlastnosti konformačního izomeru" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Vykresluje základní tvary za použití vlastností QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 #, fuzzy #| msgid "Molecular Graph..." msgid "Molecular Graph…" msgstr "Molekulární graf…" #: qtplugins/qtaim/qtaimextension.cpp:48 #, fuzzy #| msgid "Molecular Graph with Lone Pairs..." msgid "Molecular Graph with Lone Pairs…" msgstr "Molekulární graf s osamělými páry…" #: qtplugins/qtaim/qtaimextension.cpp:55 #, fuzzy #| msgid "Atomic Charge..." msgid "Atomic Charge…" msgstr "Atomický náboj…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Otevřít soubor WFN" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Soubory WFN (*.wfn);;Všechny soubory (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Rozšíření QTAIM" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "Obnovit" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 #, fuzzy #| msgid "Select by Element..." msgid "Select by Element…" msgstr "Výběr podle prvku…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Residue…" msgstr "Výběr podle zbytku…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Vybrat" #: qtplugins/select/select.cpp:180 #, fuzzy #| msgid "Select by Element..." msgid "Select Element" msgstr "Výběr prvku" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" msgstr "Výběr zbytku" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "Vybrat" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Výběr" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 #, fuzzy msgid "Paint Atoms" msgstr "Počáteční atom" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 #, fuzzy msgid "Perceive Space Group…" msgstr "Vnímat prostorovou skupinu…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Vyplnit jednotkovou buňku…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "Redukovat na Asymetrickou jednotku" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "Space Group" msgstr "Prostorová skupina" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 #, fuzzy msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Vnímání prostorové skupiny se nezdařilo:\n" "Chtěl byste to zkusit znovu s jinou povolenou odchylkou?" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "Mezinárodní" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:385 #, fuzzy msgid "Select Space Group" msgstr "Vybrat prostorovou grupu" #: qtplugins/spacegroup/spacegroup.h:24 #, fuzzy msgid "SpaceGroup" msgstr "Prostorová skupina" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgid "Spectra" msgid "Spectra" msgstr "Spektra" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "Infračervené" #: qtplugins/spectra/spectradialog.cpp:440 #, fuzzy #| msgctxt "Raman spectrum" #| msgid "Raman" msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 #, fuzzy #| msgid "electron" msgid "Electronic" msgstr "elektron" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 #, fuzzy #| msgid "&Density Of States Settings" msgid "Density of States" msgstr "Hustoty Stavů" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Vybrat barvu pozadí" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Vybrat barvu popředí" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "Vybrat barvu vypočteného spektra" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "Vyberte si barvu importovaného spektra" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 #, fuzzy #| msgid "Wavenumber (cm-1)" msgid "Wavenumbers (cm⁻¹)" msgstr "Vlnové číslo (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 #, fuzzy #| msgid "Intensities" msgid "Intensity" msgstr "Intenzity" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 #, fuzzy #| msgid "Shift (ppm)" msgid "Chemical Shift (ppm)" msgstr "Posun (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Energie (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Souměrnost" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Stav" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Molekulový orbital" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Elektronová hustota" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Create Surfaces" msgid "Create Surfaces…" msgstr "Vytvořit povrchy…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 #, fuzzy msgid "Calculating electron density" msgstr "Počítá se elektronová hustotu" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Povrchy" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 #, fuzzy #| msgid "Symmetry" msgid "Symmetry…" msgstr "Souměrnost…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, fuzzy, qt-format msgid "Group %1" msgstr "Skupina %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "Vibrace" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, fuzzy, qt-format #| msgid "G03 failed to start." msgid "Error: %1 failed to start" msgstr "Spuštění %1 selhalo" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dialog" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Formulář" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "Vložit fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filtr:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Zadejte název nebo část názvu, aby se ukázaly pouze odpovídající soubory." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Vložit" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Silové pole:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Úspěch!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial Charge" msgid "Partial Charges" msgstr "Částečný náboj" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formát:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Použít" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Obnovit vše" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Výchozí" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Uložit soubor…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Základní nastavení" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Název:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Vypočítat:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Metoda:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Volby pro superbunky" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Opakování A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Opakování B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Opakování C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Použít" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Skrýt" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Změnit velikost objemu jednotkové buňky" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Textový popisek" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Druh vazby:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Vstup GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "V:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Násobnost:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Šířka:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Náklad:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "Název" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Vložit nukleové kyseliny" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "Tvorba DNA/RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Nukleové kyseliny:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Cytosin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy #| msgid "G" msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy #| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Sekvence:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "počet základních párů na otočení šroubovice" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other" msgid "Other" msgstr "jiné" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Párů bází na otočení:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Řetězců:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Jednoduchá" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Dvojná" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Vyberte typ jednotek, které budou použity při simulaci." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "reálný" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "kov" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elektron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Potenciální půdní vlhkost" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Vyberte hodnotu atom_style, který se používá v datovém souboru." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Styl atomu" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "úhel" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomový" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "vazba" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "náboj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipól" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "elipsoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "plný" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "čára" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molekulární" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "koule" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "vlnový balík" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Určete jméno, které bude použito pro souborové souřadnice." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Koordinovat datový soubor" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Soubor" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Teplota" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Vyberte počet řetězců Nose-Hoovera v NVT souboru." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "řetězce NH" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "Časový krok pro simulaci v jednotkách dle specifikace \"jednotek\"." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Doba kroku" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Jméno souboru XYZ pro záznam dat během simulace." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Vypsat XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Počet rozměrů v systému." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Rozměry" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Změna hranice stylu pro Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "fm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Změna hranice stylu pro Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Změna hranice stylu pro X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) #, fuzzy #| msgid "Select bondary Styles in X, Y and Z directions." msgid "Select boundary Styles in X, Y and Z directions." msgstr "Vyberte hraniční styly pole ve směru X, Y a Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Hranice" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Počet kopií ve směrech X, Y a Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "kopírování" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Směr kopírování X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Směr kopírování Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Směr kopírování Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Celkový počet časových kroků spustit simulaci." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Počet kroků" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "interval záznamu" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Nastavte počáteční rychlost atomu pro simulaci." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Počáteční rychlosti" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Výběr rozložení počátečních rychlostí atomů." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussovo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "homogenní" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "Nastavte počáteční rychlost atomu tak, aby odpovídala této teplotě." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Odstranit lineární hybnost systému z počátečních rychlostí." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "nulová hybnost" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Odstraňte hybnost systému z počátečních rychlostí." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Nulový moment hybnosti" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Ovládání termodynamického výkonu během simulace." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Interval výstupu" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Styl termodynamického výstupu." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Jedna linka" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Více linek" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Použít vzhled" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Překlad od:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Otáčet kolem:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Počátek" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X-osy" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y-osy" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z-osy" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Hledání konformačního izomeru" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Metoda" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Number of conformers" msgid "Number of conformers:" msgstr "Počet konformačních izomerů:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Soustavné hledání bodu otáčení" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Náhodné hledání bodu otáčení" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Zatížené hledání bodu otáčení" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Hledání genetického algoritmu" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Volby pro genetický algoritm" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy #| msgid "Children" msgid "Children:" msgstr "Potomci:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Mutability" msgid "Mutability:" msgstr "Proměnitelnost:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) #, fuzzy #| msgid "Scoring method" msgid "Scoring method:" msgstr "Způsob bodování:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "RMSD" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Nejstrmější pokles" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Silové pole:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Odkaz" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Jednoduchá" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Dvojná" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Omezení:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Teplota:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Celková síla" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Vlnová délka:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Poloměr kritického bodu:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Poloměr vazební cesty:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Kovalentní" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Stálá velikost" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy #| msgid "Scale &Factor:" msgid "Scale Factor:" msgstr "Násobek velikosti:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Width:" msgid "Peak Width:" msgstr "Šířka:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) #, fuzzy #| msgid "Threshold:" msgid "Peak Threshold:" msgstr "Prahová hodnota:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Vzhled" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Ukázat" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "Zavedení tsv pokusných spekter pro pokrytí nákresu." #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Importovat..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Nastavit barvu..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Import spektra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Export..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Pozadí:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Export Calculated Spectrum" msgid "Calculated Spectra:" msgstr "Vypočítané spektrum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy #| msgid "10e-" msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Export dat" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Zavřít" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Ovládání:\n" "Dvojité klepnutí levým tlačítkem myši: Obnovit výchozí hranice os\n" "Klepnutí levým tlačítkem myši + táhnutí: Pohnout nákresem\n" "Klepnutí prostředním tlačítkem myši + táhnutí: Zaměřit se na oblast\n" "Otáčení kolečkem myši: Zaměřit se na polohu kurzoru" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "&Nahrát data..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Kvalita: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Nízká" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Střední" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Vysoká" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Velmi vysoká" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Vytvořit povrchy" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Barva dle:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy #| msgctxt "Electrostatic potential surface type" #| msgid "Electrostatic Potential" msgid "Electrostatic Potential" msgstr "Elektrostatický potenciál" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Rozlišení:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Hodnota isopovrchu:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " K" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Světlo" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Vypočítat" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolerance:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normální" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Detekovat symetrii" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) #, fuzzy msgid "Formal Charge:" msgstr "Formální náboj:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "1: Linear" msgstr "Přímočarý" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "2: Linear" msgstr "Přímočarý" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "Typ:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) #, fuzzy msgid "From Clipboard" msgstr "ze schránky" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Skupiny" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Skupina:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Rozkmit:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #, fuzzy msgid "Start Animation" msgstr "Spustit animaci" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) #, fuzzy msgid "Stop Animation" msgstr "Zastavit animaci" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) #, fuzzy msgid " eV" msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) #, fuzzy #| msgid "" #| "\n" #| "\n" #| "

      " msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" "\n" "\n" "

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Number of Bonds:" msgid "Number of Dimensions:" msgstr "Počet rozměrů:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Vaclav Rehak,Vojtěch Trefný, ,Launchpad " "Contributions:,Vaclav Rehak,Vojtěch Trefný,milboy, ,Launchpad Contributions:," "Avogadro Team,fri, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison," "fri, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison,Roman Horník," "fri, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison,Roman Horník," "fri, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison,Roman Horník," "fri, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison,Roman Horník," "fri, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison,Roman Horník," "fri, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison,Roman Horník," "fri, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison,Roman Horník," "fri, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison,Roman Horník," "Zbyněk Schwarz,fri, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison," "Pepa,Roman Horník,Zbyněk Schwarz,Zdeněk Chalupský,fri, ,Launchpad " "Contributions:,Avogadro Team,Geoff Hutchison,Pepa,Roman Horník,Zbyněk " "Schwarz,Zdeněk Chalupský,fri, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,Martin Slavík,Pepa,Roman Horník,Zbyněk Schwarz,Zdeněk Chalupský,fri" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,venca.rehak@seznam.cz,vojtech.trefny@gmail.com,,,venca.rehak@seznam.cz," "vojtech.trefny@gmail.com,,,,avogadro-devel@lists.sourceforge.net," "pavelfric@seznam.cz,,,avogadro-devel@lists.sourceforge.net,,pavelfric@seznam." "cz,,,avogadro-devel@lists.sourceforge.net,,roman.hornik@gmail.com," "pavelfric@seznam.cz,,,avogadro-devel@lists.sourceforge.net,,roman." "hornik@gmail.com,pavelfric@seznam.cz,,,avogadro-devel@lists.sourceforge." "net,,,pavelfric@seznam.cz,,,avogadro-devel@lists.sourceforge.net,,," "pavelfric@seznam.cz,,,avogadro-devel@lists.sourceforge.net,,," "pavelfric@seznam.cz,,,avogadro-devel@lists.sourceforge.net,,," "pavelfric@seznam.cz,,,avogadro-devel@lists.sourceforge.net,,," "pavelfric@seznam.cz,,,avogadro-devel@lists.sourceforge.net,,,," "pavelfric@seznam.cz,,,avogadro-devel@lists.sourceforge.net,,,,,," "pavelfric@seznam.cz,,,avogadro-devel@lists.sourceforge.net,,,,,," "pavelfric@seznam.cz,,,avogadro-devel@lists.sourceforge.net,,,,,,," "pavelfric@seznam.cz" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #, fuzzy #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "Částečný náboj" #, fuzzy #~| msgid "" #~| "Bond Centric Manipulation Tool\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view.\n" #~| "\n" #~| "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~| "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~| "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Nástroj pro zacházení s vazbami\n" #~ "\n" #~ "Levé tlačítko myši: \tKlepněte a táhněte pro otočení pohledu\n" #~ "Prostřední tlačítko myši: Klepněte a táhněte pro přiblížení nebo " #~ "oddálení\n" #~ "Pravé tlačítko myši: \tKlepněte a táhněte pro posunutí pohledu\n" #~ "Dvojité klepnutí: \t Nastavit pohled znovu\n" #~ "\n" #~ "Klepnutí levým tlačítkem myši & tažení vazby pro nastavení roviny pro " #~ "zacházení:\n" #~ "Klepnutí levým tlačítkem myši & tažení jedním atomem ve vazbě pro změnu " #~ "úhlu\n" #~ "Klepnutí levým tlačítkem myši & tažení jedním atomem ve vazbě pro změnu " #~ "délky" #, fuzzy #~| msgid "" #~| "Draw Tool (F8)\n" #~| "\n" #~| "Left Mouse: \tClick and Drag to create Atoms and Bonds\n" #~| "Right Mouse: \tDelete Atom" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Nástroj na kreslení (F8)\n" #~ "Levé tlačítko myši: \tKlepnout a táhnout pro vytvoření atomů a vazeb\n" #~ "Pravé tlačítko myši: \tSmazat atom" #, fuzzy #~| msgid "" #~| "Click to Measure (F12)\n" #~| "\n" #~| "Left Mouse: \tSelect up to three Atoms.\n" #~| "\tDistances are measured between 1-2 and 2-3\n" #~| "\tAngle is measured between 1-3 using 2 as the common point\n" #~| "Right Mouse: \tReset the measurements.Double-Click: \tReset the view." #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Klepněte pro změření (F 12)\n" #~ "\n" #~ "Levé tlačítko myši: \tVyberte až tři atomy\n" #~ "\tVzdálenosti jsou měřeny mezi 1-2 a 2-3\n" #~ "\tÚhel je měřen mezi 1-3 za použití 2 jako společného bodu\n" #~ "Pravé tlačítko myši: \tNastavte měření znovu. Dvojité klepnutí: " #~ "\tNastavte pohled znovu." #, fuzzy #~| msgid "" #~| "Navigation Tool (F9)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Nástroj pro pohyb (F 9)\n" #~ "\n" #~ "Levé tlačítko myši: \tKlepněte a táhněte pro otočení pohledu\n" #~ "Prostřední tlačítko myši: Klepněte a táhněte pro přiblížení nebo " #~ "oddálení\n" #~ "Pravé tlačítko myši: \tKlepněte a táhněte pro posunutí pohledu\n" #~ "Dvojité klepnutí: \t Nastavit pohled znovu" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animace" #, fuzzy #~| msgid "" #~| "Selection Tool (F11)\n" #~| "\n" #~| "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~| "\tDrag to select a range of atoms\n" #~| "Right Mouse: \tClick outside the molecule to clear selection\n" #~| "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~| "Double-Click: \tSelect an entire fragment." #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Nástroj pro výběr (F 11)\n" #~ "\n" #~ "Levé tlačítko myši: \tKlepněte pro výběr jednotlivých atomů, zbytků nebo " #~ "fragmentů\n" #~ "\tTáhněte pro výběr rozsahu atomů\n" #~ "Pravé tlačítko myši: \tKlepněte vně molekuly pro zbavení se výběru\n" #~ "Dvojité klepnutí: \t Vyberte celý fragment." #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals" #, fuzzy #~| msgid "" #~| "Manipulation Tool (F10)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to move atoms\n" #~| "Middle Mouse: Click and drag to move atoms further away or closer\n" #~| "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Nástroj pro úpravy (F 10)\n" #~ "\n" #~ "Levé tlačítko myši: \tKlepněte a táhněte pro přesunutí atomů\n" #~ "Prostřední tlačítko myši: Klepněte a táhněte pro přesunutí atomů dál pryč " #~ "nebo blíž\n" #~ "Pravé tlačítko myši: \tKlepněte a táhněte pro otočení vybraných atomů\n" #~ "Dvojité klepnutí: \t Nastavit pohled znovu" #~ msgid "Geometry" #~ msgstr "Uspořádání" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Přidat &jednotkovou buňku" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Atomové indexy" #, fuzzy #~ msgid "By Distance" #~ msgstr "Vzdálenost" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Atomové indexy" #, fuzzy #~ msgid "&Copy" #~ msgstr "Kopírovat vše" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "Název molekuly IUPAC:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Váha molekuly (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Chemický vzorec:" #~ msgid "Number of Atoms:" #~ msgstr "Počet atomů:" #~ msgid "Number of Bonds:" #~ msgstr "Počet vazeb:" #~ msgid "TODO" #~ msgstr "Seznam úkolů" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Velikost skoku:" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "Optimalizace" #, fuzzy #~ msgid "In." #~ msgstr "V:" #, fuzzy #~| msgid "Fragments" #~ msgid "Fragment…" #~ msgstr "Fragmenty" #, fuzzy #~| msgid "DFT Functional" #~ msgid "Functional Groups" #~ msgstr "DFT Funkcionál" #~ msgid "Other..." #~ msgstr "Ostatní:" #, fuzzy #~ msgid "Filename" #~ msgstr "Název souboru:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Nahrát soubor" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Pohyb" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Pohyb" #~ msgid "OK" #~ msgstr "OK" #~ msgid "Cancel" #~ msgstr "Zrušit" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Název prvku" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Všechny soubory" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Klencová" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molekula" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Žádný soubor molekul" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #~ msgid "Fragment..." #~ msgstr "Fragment..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Krystal..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Přidat vodíkové atomy pro pH..." #~ msgid "Atom Properties..." #~ msgstr "Vlastnosti atomu..." #~ msgid "Bond Properties..." #~ msgstr "Vlastnosti vazby..." #~ msgid "Angle Properties..." #~ msgstr "Vlastnosti úhlu..." #~ msgid "Torsion Properties..." #~ msgstr "Vlastnosti zkroucení..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Vlastnosti molekul..." #~ msgid "Create Surfaces..." #~ msgstr "Vytvořit povrchy..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Souměrnost" #~ msgid "Insert Fragment..." #~ msgstr "Vložit fragment" #~ msgid "Theory:" #~ msgstr "Teorie:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Vzdálenost (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Otočná" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Délka %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Úhel %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Úhel %1" #~ msgid "Angle" #~ msgstr "Úhel" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Kroucení %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Zkroucení %1" #~ msgid "Torsion" #~ msgstr "Zkroucení" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energie (kJ/mol)" #~ msgid "Yes" #~ msgstr "Ano" #~ msgid "No" #~ msgstr "Ne" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Tvůrce vstupu..." #, fuzzy #~ msgid "Import" #~ msgstr "Import" #~ msgid "Insert SMILES" #~ msgstr "Vložit SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Vložit SMILES fragment:" #~ msgid "Insert Crystal" #~ msgstr "Vložit krystal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Vložit fragmenty molekul pro sestavení větších molekul" #~ msgid "E&xtensions" #~ msgstr "Roz&šíření" #~ msgid "Symmetry Properties..." #~ msgstr "Vlastnosti symetrie..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Vyladit uspořádání" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Optimalizace uspořádání" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Přidat vodíkové atomy" #, fuzzy #~ msgid "Stopped" #~ msgstr "Zastavit" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Povrchy" #~ msgid "Color by Index" #~ msgstr "Barva podle seznamu" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Barva podle seznamu (červená, oranžová, žlutá, zelená, modrá, fialová)." #~ msgid "Color by Partial Charge" #~ msgstr "Barva podle parciálního náboje" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Barva podle parciálního atomového náboje (modrá = pozitivní, červená = " #~ "negativní)." #~ msgid "Custom Color:" #~ msgstr "Vlastní barva:" #~ msgid "Set custom colors for objects" #~ msgstr "Nastavit vlastní barvy předmětů" #~ msgid "Color by Distance" #~ msgstr "Barva podle vzdálenosti" #~ msgid "Color by distance from the first atom." #~ msgstr "Barva podle vzdálenosti od prvního atomu." #~ msgid "Color by Element" #~ msgstr "Barvy podle prvku" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Barvy podle prvku (uhlík = šedá, kyslík = červená, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Barva podle zbytku (typ aminokyselin, hydrofobie, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "Vzor SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Barva zvýraznění:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Barva podle vzoru SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Zvýraznit zvláštní vlastnosti, které odpovídají vzoru SMARTS." #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Stroje" #~ msgid "Axes" #~ msgstr "Osy" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Vykresluje osy x.y.z v počátku" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Vykresluje základní tvary za použití koulí (atomy) a tyčí (vazby)" #~ msgid "Dipole" #~ msgstr "Dipól" #~ msgid "Hydrogen Bond" #~ msgstr "Vodíková vazba" #~ msgid "Renders hydrogen bonds" #~ msgstr "Vykresluje vodíkové vazby" #~ msgid "Select Atom Labels Color" #~ msgstr "Vybrat barvu pro značky atomů" #~ msgid "Select Bond Labels Color" #~ msgstr "Vybrat barvu pro značky vazeb" #~ msgid "Select Bond Labels Font" #~ msgstr "Vybrat písmo pro značky vazeb" #~ msgid "Polygon" #~ msgstr "Mnohoúhelník" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Vykresluje atomy jako čtyřstěnné, osmistěnné a jiné mnohoúhelníky" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Vykresluje hlavní řetězce proteinů jako stuhy" #~ msgid "Ring" #~ msgstr "Kruh" #~ msgid "Renders rings with colored planes" #~ msgstr "Vykresluje kruhy s barevnými rovinami" #~ msgid "Simple Wireframe" #~ msgstr "Jednoduchá drátěná kostra" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "" #~ "Vykresluje vazby jako dráty (čáry), což je ideální pro rozsáhlé molekuly" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waalsovy sféry" #~ msgid "Stick" #~ msgstr "Tyčka" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Elektronová hustota, isopovrch = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isoplocha = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Vykresluje vazby jako dráty (čáry), což je ideální pro velmi rozsáhlé " #~ "(bio)molekuly" #~ msgid "Trajectory files" #~ msgstr "Soubory s drahami" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Soubory DL-POLY HISTORY" #~ msgid "Open Trajectory File" #~ msgstr "Otevřít soubor s drahami" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Přidává se koncovka .avi" #~ msgid "Animation..." #~ msgstr "Animace..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Nelze rozpoznat typ souboru %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Načítání souboru s drahami %1 selhalo." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Musíte určit platný soubor .avi" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "GL prvek nebyl pro uložení videa správně spuštěn" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Neplatný název souboru s videem. Musíte uvést úplnou cestu k souboru" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Neplatný název videosouboru. Musíte určit úplnou cestu k souboru a název," #~ "včetně koncovky .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Z názvu souboru nelze určit formát: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animovat dráhy, reakce a vibrace." #~ msgid "Cartesian Editor" #~ msgstr "Kartézský editor" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Pro molekulu nebyla stanovena žádná jednotková buňka -- nelze použít " #~ "souřadnice vyjádřené zlomkem." #~ msgid "Cartesian Editor..." #~ msgstr "Karteziánský editor..." #~ msgid "Cartesian editor" #~ msgstr "Kartézský editor" #~ msgid "Number of atoms: %1" #~ msgstr "Počet atomů: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Počet otočných vazeb: %1" #~ msgid "Add constraint" #~ msgstr "Přidat omezení" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Vaše molekula musí obsahovat alespoň jeden atom, aby mohlo být přidáno " #~ "omezení" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Vaše molekula musí obsahovat alespoň dva atomy, aby mohlo být přidáno " #~ "vazební omezení" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Vaše molekula musí obsahovat alespoň tři atomy, aby mohlo být přidáno " #~ "úhlové omezení" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Vaše molekula musí obsahovat alespoň čtyři atomy, aby mohlo být přidáno " #~ "omezení zkroucení" #~ msgid "&Crystallography" #~ msgstr "&Krystalografie" #~ msgid "&Reduce" #~ msgstr "&Zmenšit" #~ msgid "&Length Unit" #~ msgstr "&Délková jednotka" #~ msgid "&Angle Unit" #~ msgstr "Ú&hlová jednotka" #~ msgid "&Coordinate Display" #~ msgstr "Zobrazení &souřadnic" #~ msgid "Coordinate &Preservation" #~ msgstr "&Zachování souřadnic" #~ msgid "&Matrix Display" #~ msgstr "Zobrazení &mřížky" #~ msgid "Hide &Editors" #~ msgstr "Skrýt &editory" #~ msgid "Show &Editors" #~ msgstr "Ukázat &editory" #~ msgid "Hide &Property Display" #~ msgstr "Skrýt zobrazení &vlastnosti" #~ msgid "Show &Property Display" #~ msgstr "Ukázat zobrazení &vlastnosti" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Typ mřížky: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Prostorová skupina: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Objem jednotkové buňky: %L1%2" #~ msgid "Undefined" #~ msgstr "Nedefinováno" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Trojklonná" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Jednoklonná" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Kosočtverečná" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Čtverečná" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Šesterečná" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Krychlová" #~ msgid "Paste Crystal" #~ msgstr "Vložit krystal" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Redukce-Niggli (odkysličení) se nezdařilo. Mřížka vstupní struktury, " #~ "která mate algoritmus pro redukci-Niggli. Zkuste malou odchylku " #~ "(přibližně 2 řády velikosti menší než povolená odchylka) na vstupní " #~ "mřížky a zkuste to znovu." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Buňku se po 1000 opakováních zmenšovacího algoritmu nepodařilo zmenšit. " #~ "Zastavuje se." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Otočit do obvyklého &natočení" #~ msgid "&Slab..." #~ msgstr "&Plátek..." #~ msgid "Perceive Space&group..." #~ msgstr "Vnímat prostorovou &skupinu..." #~ msgid "Set &Spacegroup..." #~ msgstr "Nastavit &prostorovou skupinu..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Vyplnit jednotkovou buňku" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Vyplnit jednotkovou buňku pomocí současné prostorové skupiny." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Redukovat na &Asymetrickou jednotku" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "" #~ "Odstranit atomy v ekvivalentní pozici (inverze Vyplnit jednotkovou " #~ "buňku)." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Učinit krystal &souměrným" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Zmenšit buňku (&základní)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometr" #~ msgid "&Picometer" #~ msgstr "&Picometr" #~ msgid "&Degree" #~ msgstr "&Stupeň" #~ msgid "&Radian" #~ msgstr "&Radián" #~ msgid "Display &cartesian coordinates" #~ msgstr "Zobrazit &kartézské souřadnice" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Zachovat &kartézské souřadnice během změny buňky" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Zachovat &zlomkové souřadnice během změny buňky" #~ msgid "Display &cartesian matrix" #~ msgstr "Zobrazit &kartézskou mřížku" #~ msgid "Display &fractional matrix" #~ msgstr "Zobrazit &zlomkovou mřížku" #~ msgid "Display as &column vectors" #~ msgstr "Zobrazit jako vektory &sloupce" #~ msgid "&Crystal View Options..." #~ msgstr "Volby pro pohled na &krystal..." #~ msgid "Set Spacegroup" #~ msgstr "Nastavit prostorovou skupinu" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Pro tento dokument není nastavena prostorová skupina.\n" #~ "\n" #~ "Chcete prostorovou skupinu nastavit nyní?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Zjištěna prostorová skupina P1 - nelze učinit souměrným k této prostorové " #~ "skupině.\n" #~ "\n" #~ "Chcete to zkusit znovu s jinou povolenou odchylkou?" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Zabalit atomy do buňky" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Zmenšit na titěrnou buňku" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Vybrat povolenou odchylku v nynějších kartézských jednotkách:" #~ msgid "Crystallography" #~ msgstr "Krystalografie" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Sestrojit a rozebrat pravidelné struktury." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "Vstup není formátován jako jeden\n" #~ "z následujících podporovaných formátů:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "Formát VASP\n" #~ msgid "Bad Compostion" #~ msgstr "Špatné složení" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "Pole s totožnostmi musí obsahovat tentýž počet mezerou ohraničených " #~ "záznamů jako je to u POSCARu v řádku 6." #~ msgid "Cartesian Coordinates" #~ msgstr "Kartézské souřadnice" #~ msgid "Fractional Coordinates" #~ msgstr "Souřadnice vyjádřené zlomkem" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Buněčná matice (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Nastavit mřížku jednotkové buňky" #~ msgid "Set Unit Cell Params" #~ msgstr "Nastavit parametry jednotkové buňky" #~ msgid "Working..." #~ msgstr "Pracuje se..." #~ msgid "Build" #~ msgstr "Sestavit" #~ msgid "Cut Slab From Crystal" #~ msgstr "Uříznout plátek z krystalu" #~ msgid "No GLWidget?" #~ msgstr "Žádný GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Vyberte, prosím, jeden nebo více atomů." #~ msgid "Trajectory..." #~ msgstr "Dráha..." #~ msgid "Open chemical file format" #~ msgstr "Otevřít chemický souborový formát" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Chemické soubory (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Otevřít soubor s parametry" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Chemické soubory (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importovat trajektorie" #~ msgid "Import trajectory files" #~ msgstr "Importovat soubory s trajektoriemi" #~ msgid "Calculate Energy" #~ msgstr "Vypočítat energii" #~ msgid "Conformer Search..." #~ msgstr "Hledání konformačního izomeru..." #~ msgid "Constraints..." #~ msgstr "Omezení..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Pro tuto molekulu nelze ustavit nyní vybrané silové pole. Přepíná se na " #~ "UFF." #~ msgid "Geometric Optimization" #~ msgstr "Optimalizace uspořádání" #~ msgid "Systematic Rotor Search" #~ msgstr "Soustavné hledání bodu otáčení" #~ msgid "Random Rotor Search" #~ msgstr "Náhodné hledání bodu otáčení" #~ msgid "Weighted Rotor Search" #~ msgstr "Zatížené hledání bodu otáčení" #~ msgid "Genetic Algorithm Search" #~ msgstr "Hledání genetického algoritmu" #~ msgid "ForceField" #~ msgstr "Silové pole" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Vyladit molekuly a vytvořit konformační izomery (konformery) s pomocí " #~ "silových polí molekulární mechaniky" #~ msgid "&Vector Graphics..." #~ msgstr "Vektorová grafika..." #~ msgid "Common vector image formats" #~ msgstr "Běžné formáty vektorového obrázku" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Export vektorové grafiky" #~ msgid "Change H to Methyl" #~ msgstr "Zaměnit H za Metyl" #~ msgid "H to Methyl" #~ msgstr "H za Methyl" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Proměnit vodíkové atomy na methylové skupiny" #~ msgid "Add or remove hydrogens" #~ msgstr "Přidat nebo odstranit vodíkové atomy" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Vložit DNA/RNA řetězce" #~ msgid "Peptide..." #~ msgstr "Peptid..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Vložit oligopeptidovou posloupnost" #~ msgid "Invert Chirality" #~ msgstr "Obrátit chiralitu" #~ msgid "InvertChiral" #~ msgstr "Obrátit chiralitu" #~ msgid "Invert chiral centers" #~ msgstr "Obrátit chirální atomy" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "neznámý" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Odhadovaný dipólový moment (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Zobrazit obvyklé vlastnosti molekul." #~ msgid "Fetch by chemical name..." #~ msgstr "Natáhnout podle chemického názvu..." #~ msgid "Fetch from URL..." #~ msgstr "Natáhnout z internetové adresy (URL)..." #~ msgid "PDB Entry" #~ msgstr "Záznam PDB" #~ msgid "PDB entry to download." #~ msgstr "Záznam PDB ke stažení." #~ msgid "URL" #~ msgstr "Internetová adresa (URL)" #~ msgid "URL of molecule to download." #~ msgstr "Internetová adresa molekuly ke stažení." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Zadanou molekulu nelze nahrát: %1" #~ msgid "Network Fetch" #~ msgstr "Natáhnutí po síti" #~ msgid "Fetch molecule files over the network." #~ msgstr "Natáhnout soubory s molekulami přes síť." #~ msgid "OrcaExtension" #~ msgstr "OrcaRozšíření" #~ msgid " No vibration data found!" #~ msgstr " Nenalezena vibrační data!" #~ msgid "extended Geometry File" #~ msgstr "soubor s rozšířenou geometrií" #~ msgid "Read Orca Outputfile" #~ msgstr "Načíst Orca výstupní soubor" #~ msgid "no file found" #~ msgstr "soubor nenalezen" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Ve stavbě souboru je něco špatně" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "Chyba ve struktuře souboru - jednotkové buňky" #~ msgid "Something is wrong in the IR output! " #~ msgstr "Chyba ve výstupu infračervených spekter! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "Chyba ve výstupu Ramanových spekter! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "Chyba ve výstupu energií orbitalů! " #~ msgid "No geometry found in file!" #~ msgstr "Soubor neobsahuje geometrii!" #~ msgid "Could not read file!" #~ msgstr "Nemohu načíst soubor!" #~ msgid "Analyse Orca Output..." #~ msgstr "Analyzovat Orca výstup..." #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "Orca Test Example" #~ msgstr "Orca testovací příklad" #~ msgid "Show Preview" #~ msgstr "Zobrazit náhled" #~ msgid "Hide Preview" #~ msgstr "Skrýt náhled" #~ msgid " OrcaSpectra::No vibration data found!" #~ msgstr " OrcaSpektra::Žádná vibrační data!" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Uložit jako obrázek nakreslený POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Obrázkové soubory (*.png, *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Nebyl zadán žádný název souboru." #~ msgid "Does not compute." #~ msgstr "Nebude se počítat." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Zvolil jste nepoužít přímé vykreslování pomocí POV-Ray a zrušení souboru " #~ "POV-Ray. To znamená, že nebude uložen žádný výstup. Jste si jist?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Nelze zapisovat do souboru %1. Máte oprávnění pro zápis do tohoto " #~ "umístění?" #~ msgid "POV-Ray failed to start." #~ msgstr "Spuštění POV-Ray selhalo." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "Spuštění POV-Ray selhalo. Cesta ke spouštěcímu souboru je nejspíš špatně " #~ "nastavena." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Vytvořit soubory POV-Ray a nakreslit je s pomocí programu příkazové řádky " #~ "POV-Ray." #~ msgid "Conformer Properties..." #~ msgstr "Vlastnosti konformačního izomeru..." #~ msgid "Python Terminal" #~ msgstr "Python - terminál" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Vzájemně působící pythonovský skriptovací terminál" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Varování generátoru zadávací vrstvy Abinit" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Chcete zaktualizovat text náhledu? Všechny změny provedené v náhledové " #~ "tabulce zadávací vrstvy Abinit budou ztraceny." #~ msgid "Abinit_Input_Deck" #~ msgstr "Zadávací_vrstva_Abinit" #~ msgid "Abinit Running." #~ msgstr "Abinit běží." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Abinit již běží. Počkejte, prosím, dokud nebude předchozí výpočet " #~ "dokončen." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit není nainstalován." #~ msgid "The abinit executable cannot be found." #~ msgstr "Spustitelný soubor pro Abinit nelze najít." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "Abinit se nespustil. Snad je to tím, že není nainstalován správně." #~ msgid "Running Abinit calculation..." #~ msgstr "Běží výpočet Abinit..." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit neběžel správně. Snad je to tím, že není nainstalován správně." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Varování tvůrce vstupního souboru Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Chcete obnovit text náhledu, a ztratit všechny změny provedené v " #~ "náhledové tabulce vstupního souboru Dalton?" #~ msgid "QM Matches" #~ msgstr "QM shody" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP výběr..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM výběr..." #~ msgid "Delete" #~ msgstr "Smazat" #~ msgid "You must make a selection!" #~ msgstr "Musíte provést výběr!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES převod není dostupný" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES převod formátu není dostupný!" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Vytvořit vstupní soubory pro GAMESS balíček pro kvantovou chemii" #~ msgid "Advanced Settings Changed" #~ msgstr "Změna pokročilých nastavení" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Pokročilá nastavení byla změněna.\n" #~ "Zahodit změny?" #~ msgid "Advanced Settings Reset" #~ msgstr "Smazání pokročilých nastavení" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Jste si jisti, že chcete smazat pokročilá nastavení?\n" #~ "Všechny změny budou ztraceny!" #~ msgid "Basic Settings Reset" #~ msgstr "Smazání základních nastavení" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Jste si jisti, že chcete smazat základní nastavení?\n" #~ "Všechny změny budou ztraceny!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Varování tvůrce vstupního balíčku GAMESS-UK" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Chcete obnovit text náhledu, a ztratit všechny změny provedené v " #~ "náhledové tabulce vstupního balíčku GAMESS-UK?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Vstupní balíček GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Varování tvůrce Gaussovského vstupního balíčku" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Chcete zaktualizovat text náhledu? Všechny změny provedené v náhledové " #~ "tabulce zadávací vrstvy Gaussian budou ztraceny." #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussovský vstupní balíček" #~ msgid "Gaussian Running." #~ msgstr "Gaussovský je spuštěn." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussovský je již spuštěn. Počkejte, dokud nebude předchozí výpočet " #~ "dokončen." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussovský není zaveden." #~ msgid "The G03 executable, cannot be found." #~ msgstr "G03 spustitelný soubor nelze najít." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 nebyl spuštěn. Snad není správně nainstalován." #~ msgid "Running Gaussian calculation..." #~ msgstr "Provádí se gaussovské výpočty..." #~ msgid "G03 Crashed." #~ msgstr "G03 havaroval." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Gaussovský neběžel správně. Snad není správně nainstalován." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussův..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "Upozornění nástrojem pro vytvoření vstupních souborů Lammps" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Varování tvůrce vstupního balíčku Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Chcete obnovit text náhledu, a ztratit všechny změny provedené v " #~ "náhledové tabulce vstupního balíčku Molpro?" #~ msgid "Molpro Input Deck" #~ msgstr "Vstupní balíček Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC vstupní varování" #~ msgid "MOPAC Input Deck" #~ msgstr "Vstupní balíček MOPAC" #~ msgid "MOPAC Running." #~ msgstr "MOPAC běží." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "MOPAC je již spuštěn. Počkejte, dokud nebude předchozí výpočet dokončen." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC není zaveden." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "MOPAC spustitelný soubor nelze najít." #~ msgid "MOPAC failed to start." #~ msgstr "Spuštění MOPAC selhalo." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC nebyl spuštěn. Snad není správně nainstalován." #~ msgid "Running MOPAC calculation..." #~ msgstr "Provádí se MOPAC výpočty..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC havaroval." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "MOPAC neběžel správně. Snad není správně nainstalován." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Varování tvůrce NWChem vstupního balíčku" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Chtěl byste obnovit text náhledu? Všechny změny provedené v náhledové " #~ "tabulce zadávací vrstvy NWChem budou ztraceny." #~ msgid "NWChem Input Deck" #~ msgstr "Vstupní balíček NWChem" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Upozornění nástrojem pro vytvoření vstupních souborů Psi4" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Chtěl byste obnovit text náhledu? Všechny změny provedené v náhledové " #~ "tabulce zadávací vrstvy Psi4 budou ztraceny." #~ msgid "Psi4 Input Deck" #~ msgstr "Nastavit vstup Psi4" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Varování tvůrce Q-Chem vstupního balíčku" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Chtěl byste obnovit text náhledu? Všechny změny provedené v náhledové " #~ "tabulce zadávací vrstvy Q-Chem budou ztraceny." #~ msgid "QChem Input Deck" #~ msgstr "Vstupní balíček QChem" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "Varování generátoru zadávací vrstvy TeraChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Chtěl byste obnovit text náhledu? Všechny změny provedené v náhledové " #~ "tabulce zadávací vrstvy TeraChem budou ztraceny." #~ msgid "TeraChem Input Deck" #~ msgstr "Zadávací vrstva TeraChem" #~ msgid "Select SMARTS..." #~ msgstr "Vybrat SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Přidat pojmenovaný výběr..." #~ msgid "SMARTS Selection" #~ msgstr "Výběr SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Vybrat vzor SMARTS" #~ msgid "There is no current selection." #~ msgstr "Nebylo nic vybráno." #~ msgid "Add Named Selection" #~ msgstr "Přidat pojmenovaný výběr" #~ msgid "Name cannot be empty." #~ msgstr "Název nesmí být prázdný" #~ msgid "There is already a selection with this name." #~ msgstr "Již existuje výběr s tímto názvem." #~ msgid "Selections" #~ msgstr "Výběry" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Vybrat atomy, vazby, zbytky..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL tónovače..." #~ msgid "Open a vertex shader source file" #~ msgstr "Otevřít zdrojový soubor tónovače vrcholů" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Soubory tónovače vrcholů (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Otevřít zdrojový soubor tónovače fragmentů" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Soubory tónovače fragmentů (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Otevřít soubor s parametry tónovače" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Soubory s parametry tónovače (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL tónovače" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Nahrát a použít OpenGL 2.0 GLSL tónovače" #~ msgid "Intensity (arb. units)" #~ msgstr "Intenzita (arb. jednotky)" #~ msgid "Density of States (states/cell)" #~ msgstr "Hustota stavů (stavy/buňka)" #~ msgid "Density of States (states/atom)" #~ msgstr "Hustota stavů (stavy/atom)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Hustota stavů (stavy/valenční elektron)" #~ msgid "Transmittance (%)" #~ msgstr "Propustnost (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbance, schopnost vrstvy pohlcovat záření (%)" #~ msgid "No intensities" #~ msgstr "Žádná síla" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Údaje o vibracích v molekule, které jste nahrál, nemají jakýkoli údaj o " #~ "síle. Síly byly nastaveny kvůli zviditelnění na nahodilou hodnotu." #~ msgid "Activity" #~ msgstr "Činnost" #~ msgid "X Axis" #~ msgstr "Osa X" #~ msgid "Y Axis" #~ msgstr "Osa Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Na&stavení infračerveného spektra" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "Na&stavení NMR spektra" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "&UV Settings" #~ msgstr "&Nastavení UV" #~ msgid "&CD Settings" #~ msgstr "&Nastavení CD" #~ msgid "&Raman Settings" #~ msgstr "&Nastavení Ramana" #~ msgid "No data" #~ msgstr "Žádné údaje" #~ msgid "Dark" #~ msgstr "Tma" #~ msgid "Publication" #~ msgstr "Zveřejnění" #~ msgid "Handdrawn" #~ msgstr "Vlastnoruční" #~ msgid "New Scheme" #~ msgstr "Nový nákres" #~ msgid "Confirm Scheme Removal" #~ msgstr "Potvrdit odstranění nákresu" #~ msgid "Really remove current scheme?" #~ msgstr "Skutečně odstranit nynější nákres?" #~ msgid "Change Scheme Name" #~ msgstr "Změnit název nákresu" #~ msgid "Enter new name for current scheme:" #~ msgstr "Zadat nový název pro nynější nákres:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Taby oddělené hodnoty (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Taby oddělené hodnoty" #~ msgid "Comma Separated Values" #~ msgstr "Čárkou oddělené hodnoty" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Importování spektra" #~ msgid "Unknown extension: %1" #~ msgstr "Neznámá přípona: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR data (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomole IR data (řízení)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Turbomole UV data (spektrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Turbomole CD data (cdspektrum)" #~ msgid "Data Format" #~ msgstr "Formát dat" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Formát:" #~ msgid "Load Spectral Data" #~ msgstr "Nahrát spektrální data" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Soubor CD Turbomole je naformátován nesprávně: %1" #~ msgid "Portable Network Graphics" #~ msgstr "PNG (Portable Network Graphics)" #~ msgid "jpeg" #~ msgstr "Jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "TIFF (Tagged Image File Format)" #~ msgid "Windows Bitmap" #~ msgstr "BMP (Windows Bitmap)" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmapa" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmapa" #~ msgid "Save Spectra Image" #~ msgstr "Uložit obraz spektra" #~ msgid "Image successfully written to %1" #~ msgstr "Obrázek byl úspěšně zapsán do %1" #~ msgid "&Advanced <<" #~ msgstr "&Pokročilé <<" #~ msgid "&Advanced >>" #~ msgstr "&Pokročilé >>" #~ msgid "&Spectra..." #~ msgstr "&Spektra..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Zviditelnit údaje o spektru z výpočtů kvantové chemie" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Rozbor vibrací" #~ msgid "No vibrational displacements exist." #~ msgstr "Neexistují žádné vibrační posuny." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Zviditelnit vibrační režimy z výpočtů kvantové chemie" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Třídí se %1 vibrace podle kmitočtu..." #~ msgid "Pause" #~ msgstr "Pozastavit" #~ msgid "Super Cell Builder..." #~ msgstr "Stavitel superbuněk..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Tento dokument je nyní osamělou molekulou. Potřebujete vytvořit " #~ "jednotkovou buňku." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Sestavit a zobrazit krystalografické superbuňky" #~ msgid "Molecular Orbitals..." #~ msgstr "Orbitaly molekul..." #~ msgid "Orbitals" #~ msgstr "Orbitaly" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Nic" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Elektronová hustota" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Chyba- nedefinovaný typ" #~ msgid "Calculating VdW Cube" #~ msgstr "Počítá se krychle VdW" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Počítá se MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "Povrchy s elektrostatickým potenciálem ještě nejsou podporovány" #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Počítají se orbitaly molekul a jiné povrchy" #~ msgid "&Nanotube Builder..." #~ msgstr "&Stavitel nanotrubic..." #~ msgid "Nanotube Builder" #~ msgstr "Stavitel nanotrubic" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Neplatné vymezení nanotrubice" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "Požadovanou nanotrubici nelze postavit z následujícího důvodu:\n" #~ "\n" #~ "Buď n nebom musí být větší než 1." #~ msgid "Insert Nanotube" #~ msgstr "Vložit nanotrubici" #~ msgid "SWCNT Builder" #~ msgstr "Stavitel SWCNT" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Postavit zeď z uhlíkových nanotrubic." #~ msgid "Building..." #~ msgstr "Staví se..." #~ msgid "Display point group symmetry." #~ msgstr "Zobrazit bodovou grupu symetrie" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "GL prvek nebyl pro vytvoření videa správně spuštěn" #~ msgid "GL widget has no molecule" #~ msgstr "GL prvek nemá molekulu" #~ msgid "Building video " #~ msgstr "Sestavuje se video " #~ msgid "Could not run mencoder." #~ msgstr "Nelze spustit mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Nastavit poměr stran" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Nynější scéna Avogadra je %1x%2 pixelů velké a má tak poměr stran %3.\n" #~ "Můžete tuto hodnotu zachovat, například, jestliže je vaším záměrem použít " #~ "POV-Ray\n" #~ "pro vytvoření obrázku o velikosti %4x1000 pixelů, nebo můžete zadat " #~ "jakoukoli jinou kladnou hodnotu,\n" #~ "například 1, jestliže je vaším záměrem použít POV-Ray pro vytvoření " #~ "čtvercového obrázku, jako je 1000x1000 pixelů." #~ msgid "Save VRML rendered files" #~ msgstr "Uložit renderované VRML soubory" #~ msgid "VRML..." #~ msgstr "VRML..." #~ msgid "Connect" #~ msgstr "Připojit" #~ msgid "Disconnect" #~ msgstr "Odpojit" #~ msgid "&WiiTrack" #~ msgstr "&WiiStopa" #~ msgid "Wii Tracking" #~ msgstr "Wii sledování" #~ msgid "Track motion using Wii remotes" #~ msgstr "Sledovat pohyb s pomocí Wii dálkového ovládání" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Neplatná souvislost OpenGL.\n" #~ "Buď je něco úplně v nepořádku v nastavení OpenGL (můžete spustit nějakou " #~ "OpenGL aplikaci?), nebo jste našel chybu v programu." #~ msgid "Debug Information" #~ msgstr "Informace o vyhledávání a odstraňování chyb" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Velikost zobrazení: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "Řádek zobrazení modelu 1: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "Řádek zobrazení modelu 2: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "Řádek zobrazení modelu 3: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "Řádek zobrazení modelu 4: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Atomy: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: index %1 mimo dosah." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Souborový typ '%1' není podporován pro čtení." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Souborový typ pro soubor '%1' není podporován pro čtení." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Čtení molekuly s indexem %1 ze souboru '%2' selhalo." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "nahraditMolekulu: index %1 mimo dosah." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Souborový typ '%1' není podporován pro zápis." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Souborový typ pro soubor '%1' není podporován pro zápisí." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Nepodařilo se otevřít soubor '%1' pro čtení." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Nahrazení molekuly s indexem %1 ze souboru '%2' selhalo." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Soubor %1 nelze otevřít pro čtení." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Soubor %1 nelze otevřít pro zápis." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Uložení molekulového souboru selhalo - původní soubor nelze přejmenovat." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Uložení molekulového souboru selhalo - novýí soubor nelze přejmenovat." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Uložení molekulového souboru selhalo - starý soubor nelze odstranit." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "Zápis molekuly do souboru '%1' selhal. Selhala funkce OpenBabel." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Soubor %1 nelze otevřít pro zápis." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Zápis konformačních izomerů do souboru %1 se nezdařil." #~ msgid "Molecule %1" #~ msgstr "Molekula %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Neznámý pythonovský stroj" #~ msgid "N/A" #~ msgstr "N/A" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: Zkouška " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - Skript nemá stanovenu žádnou třídu \"Stroj\"" #~ msgid " - no module" #~ msgstr " - žádný modul" #~ msgid "Unknown Python Extension" #~ msgstr "Neznámé pythonovské rozšíření" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: Zkouška " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - Skript nemá stanovenu žádnou třídu \"Rozšíření\"" #~ msgid "Unknown Python Tool" #~ msgstr "Neznámý pythonovský nástroj" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: Zkouška " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - Skript nemá stanovenu žádnou třídu \"Nástroj\"" #~ msgid "Conformer %1" #~ msgstr "Konformační izomer %1" #~ msgid "Tools" #~ msgstr "Nástroje" #~ msgid "Align:" #~ msgstr "Zarovnání:" #~ msgid "Everything" #~ msgstr "Vše" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Nástroj pro automatickou optimalizaci\n" #~ "\n" #~ "Funkce pro pohyb při klepnutí do prázdného prostoru.\n" #~ "Levé tlačítko myši: \tOtočit prostor\n" #~ "Prostřední tlačítko myši: Zvětšit prostor\n" #~ "Pravé tlačítko myši: \tPosunout prostor\n" #~ "Dvojité klepnutí: \t Nastavit pohled znovu\n" #~ "\n" #~ "Při běhu:\n" #~ "Levé tlačítko myši: \tKlepněte a táhněte atomy pro jejich přesun." #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "Automatické vyladění: Nelze nastavit silové pole..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "Automatické vyladění: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Omezení: %1" #~ msgid "Steps per Update:" #~ msgstr "Kroky při obnovení:" #~ msgid "Algorithm:" #~ msgstr "Algoritmus:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Molekulární dynamika (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Molekulární dynamika (900K)" #~ msgid "Start" #~ msgstr "Spustit" #~ msgid "Fixed atoms are movable" #~ msgstr "Pevné atomy jsou pohyblivé" #~ msgid "Ignored atoms are movable" #~ msgstr "Neuvažované atomy jsou pohyblivé" #~ msgid "AutoOpt Molecule" #~ msgstr "Automatické vyladění molekuly" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Automatická optimalizace uspořádání molekul" #~ msgid "AutoOptimization Settings" #~ msgstr "Nastavení automatické optimalizace" #~ msgid "Auto Rotation Tool" #~ msgstr "Nástroj pro automatické otáčení" #~ msgid "x rotation:" #~ msgstr "Otáčení kolem osy x:" #~ msgid "x rotation" #~ msgstr "Otáčení kolem osy x" #~ msgid "y rotation:" #~ msgstr "Otáčení kolem osy y:" #~ msgid "y rotation" #~ msgstr "Otáčení kolem osy y" #~ msgid "z rotation:" #~ msgstr "Otáčení kolem osy z:" #~ msgid "z rotation" #~ msgstr "Otáčení kolem osy z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Automatické otáčení molekul" #~ msgid "AutoRotate Settings" #~ msgstr "Nastavení automatického otáčení" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Délka vazby: %L1" #~ msgid " Show Angles" #~ msgstr " Ukázat úhly" #~ msgid "Snap-to Threshold: " #~ msgstr "Zapadnout do prahu " #~ msgid "Bond Centric Manipulate" #~ msgstr "Úpravy zaměřené na vazbu" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Úprava délek vazby, úhlů a zkroucení" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Nastavení úprav zaměřených na vazbu" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Vzdálenost (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Vzdálenost (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Dvoustěnný úhel: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Vzdálenost(i):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Změřit délky vazeb, úhly a dvoustěnné úhly" #~ msgid "Draw Bond" #~ msgstr "Nakreslit vazbu" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Nakreslit a upravit atomy a vazby" #~ msgid "Draw Settings" #~ msgstr "Nastavení kreslení" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Přesunout, otočit a srovnat atomy a fragmenty" #~ msgid "Manipulate Settings" #~ msgstr "Nastavení úprav" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Přesunout, otočit a přibližovat a oddalovat současný pohled" #~ msgid "Navigate Settings" #~ msgstr "Nastavení pohybu" #~ msgid "Selection Mode:" #~ msgstr "Režim výběru:" #~ msgid "Atom/Bond" #~ msgstr "Atom/Vazba" #~ msgid "Residue" #~ msgstr "Zbytek" #~ msgid "Add Center of Atoms" #~ msgstr "Přidat střed atomů" #~ msgid "Change color of the atom" #~ msgstr "Změnit barvu atomu" #~ msgid "Change label of the atom" #~ msgstr "Změnit štítek u atomu" #~ msgid "Change label of the bond" #~ msgstr "Změnit štítek u vazby" #~ msgid "Change radius of the atom" #~ msgstr "Změnit poloměr atomu" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Nový poloměr, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Vybrat atomy, zbytky a molekuly" #~ msgid "Symbol" #~ msgstr "Symbol" #~ msgid "Bond Length" #~ msgstr "Délka vazby" #~ msgid "Dihedral Angle" #~ msgstr "Dvoustěnný úhel" #~ msgid "Z Matrix Editor..." #~ msgstr "Editor matice Z..." #~ msgid "Z-Matrix" #~ msgstr "Matice Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Vytvořit/upravit matici Z" #~ msgid "Z-Matrix Settings" #~ msgstr "Nastavení matice Z" #~ msgid "Color residues by:" #~ msgstr "Barva zbytků podle:" #~ msgid "Hydrophobicity" #~ msgstr "Hydrofobie" #~ msgid "Axes:" #~ msgstr "Osy:" #~ msgid "Cartesian Axes" #~ msgstr "Kartézsk osy" #~ msgid "Orthogonal Axes" #~ msgstr "Pravoúhlé osy" #~ msgid "Axis 1:" #~ msgstr "Osa 1:" #~ msgid "Axis 2:" #~ msgstr "Osa 2:" #~ msgid "Axis 3:" #~ msgstr "Osa 3:" #~ msgid "Origin:" #~ msgstr "Počátek:" #~ msgid "Norm" #~ msgstr "Norma" #~ msgid "Preserve vector norms" #~ msgstr "Zachovat vektorové normy" #~ msgid "Atom Radius:" #~ msgstr "Poloměr atomu:" #~ msgid "Bond Radius:" #~ msgstr "Poloměr vazby" #~ msgid "Shape" #~ msgstr "Předmět" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Smyčka" #~ msgid "Dipole:" #~ msgstr "Dipól:" #~ msgid "Custom Vector" #~ msgstr "Vlastní vektor" #~ msgid "Custom:" #~ msgstr "Vlastní:" #~ msgid "Cut-off radius:" #~ msgstr "Nejzazší poloměr:" #~ msgid "Cut-off angle:" #~ msgstr "Nejzazší úhel" #~ msgid "Rendering Engine:" #~ msgstr "Vykreslovací stroj:" #~ msgid "TextRenderer" #~ msgstr "Kreslič textu" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Text:" #~ msgid "Symbol & Number in Group" #~ msgstr "Symbol & číslo ve skupině" #~ msgid "Symbol & Atom number" #~ msgstr "Symbol & číslo atomu" #~ msgid "Partial charge" #~ msgstr "Částečný náboj" #~ msgid "Residue number" #~ msgstr "Číslo zbytku" #~ msgid "Custom data" #~ msgstr "Vlastní data" #~ msgid "Change Font" #~ msgstr "Změnit písmo" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Posun štítku:" #~ msgid "Bond length" #~ msgstr "Délka vazby" #~ msgid "Bond number" #~ msgstr "Číslo vazby" #~ msgid "Bond order" #~ msgstr "Pořadí vazeb" #~ msgid "Lines" #~ msgstr "Čáry" #~ msgid "Radius:" #~ msgstr "Poloměr:" #~ msgid "Include Nitrogens" #~ msgstr "Zahrnout dusíkové atomy" #~ msgid "VdW Opacity:" #~ msgstr "Neprůhlednost VdW:" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Render:" #~ msgstr "Vykreslit:" #~ msgid "Fill" #~ msgstr "Výplň" #~ msgid "Points" #~ msgstr "Body" #~ msgid "Draw Box:" #~ msgstr "Rámeček:" #~ msgid "Style:" #~ msgstr "Styl:" #~ msgid "Mapped Colors" #~ msgstr "Zobrazené barvy" #~ msgid "Positive" #~ msgstr "Positivní" #~ msgid "Negative" #~ msgstr "Negativní" #~ msgid "Show Atoms" #~ msgstr "Ukázat atomy" #~ msgid "Animate Trajectory" #~ msgstr "Animovat dráhu" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Smyčka" #~ msgid "Save as .avi..." #~ msgstr "Uložit jako .avi..." #~ msgid "Angstroms" #~ msgstr "Angströmův" #~ msgid "Bohrs" #~ msgstr "Bohrův" #~ msgid "Fractional" #~ msgstr "Zlomkový" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, pouze souřadnice" #~ msgid "GAMESS Input #2" #~ msgstr "Vstup GAMESS #2" #~ msgid "Priroda Input" #~ msgstr "Vstup Priroda" #~ msgid "Apply Changes" #~ msgstr "Použít změny" #~ msgid "Cut All" #~ msgstr "Vyjmout vše" #~ msgid "Paste to the End" #~ msgstr "Vložit na konec" #~ msgid "" #~ "\n" #~ "\n" #~ "

      Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

      " #~ msgstr "" #~ "\n" #~ "\n" #~ "

      Zde vložte nebo upravte " #~ "atomické souřadnice. Můžete vložit téměř jakoukoli část textu, která " #~ "obsahuje souřadnice

      " #~ msgid "(None)" #~ msgstr "(Žádný)" #~ msgid "Sort by " #~ msgstr "Třídit podle " #~ msgid "Number of atoms:" #~ msgstr "Počet atomů" #~ msgid "Number of rotatable bonds:" #~ msgstr "Počet otočitelných vazeb" #~ msgid "Add Constraints" #~ msgstr "Přidat omezení" #~ msgid "Ignore Atom" #~ msgstr "Nevšímat si atomu" #~ msgid "Fix Atom" #~ msgstr "Upevnit atom" #~ msgid "Fix Atom X" #~ msgstr "Upevnit atom X" #~ msgid "Fix Atom Y" #~ msgstr "Upevnit atom Y" #~ msgid "Fix Atom Z" #~ msgstr "Upevnit atom Z" #~ msgid "Torsion angle" #~ msgstr "Úhel zkroucení" #~ msgid "Add" #~ msgstr "Přidat" #~ msgid "Save" #~ msgstr "Uložit" #~ msgid "Load" #~ msgstr "Nahrát" #~ msgid "Atomic &identites:" #~ msgstr "Atomické &totožnosti:" #~ msgid "Surface Slab Builder" #~ msgstr "Stavitel plátku povrchu" #~ msgid "Plane:" #~ msgstr "Rovina:" #~ msgid "&Miller Indices:" #~ msgstr "&Millerovy indexy:" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Varování: Použijte ne-nulové Millerovy indexy" #~ msgid "Width (x)" #~ msgstr "Šířka (x)" #~ msgid "Width (y)" #~ msgstr "Šířka (y)" #~ msgid "Height (z)" #~ msgstr "Výška (z)" #~ msgid "length" #~ msgstr "Délka" #~ msgid "cell repeats" #~ msgstr "Opakování buněk" #~ msgid "&Translate " #~ msgstr "&Přenést " #~ msgid "by arbitrary vector" #~ msgstr "podle libovolného vektoru" #~ msgid "selected atom to unit cell center" #~ msgstr "vybraný atom do středu jednotkové buňky" #~ msgid "Translation vector:" #~ msgstr "Vektor posunu souřadnic:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "&Vektorové jednotky:" #~ msgid "Cartesian" #~ msgstr "Kartézský" #~ msgid "&Translate" #~ msgstr "&Posunout souřadnice" #~ msgid "Crystal View Options" #~ msgstr "Volby pro pohled na krystal" #~ msgid "Unit Cell Repeats:" #~ msgstr "Opakování jednotkové buňky:" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Kreslit jednotkové buňky?" #~ msgid "One" #~ msgstr "Jeden" #~ msgid "All" #~ msgstr "Všechno" #~ msgid "Color..." #~ msgstr "Barva..." #~ msgid "View Along:" #~ msgstr "Pohled podél:" #~ msgid "Default View" #~ msgstr "Výchozí zobrazení" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Millerovy indexy" #~ msgid "File Import..." #~ msgstr "Import souboru..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Pokusit se rozpoznat vazby?" #~ msgid "Setup Force Field" #~ msgstr "Nastavit silové pole" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Počet kroků" #~ msgid "Algorithm" #~ msgstr "Algoritmus" #~ msgid "Alanine" #~ msgstr "Alanin" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Arginin" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Asparagin" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "Kyselina aspartová" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Cystein" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "Kyselina glutamová" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Glutamin" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Glycin" #~ msgid "Gly" #~ msgstr "Gly" #~ msgid "Histidine" #~ msgstr "Histidin" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "Izoleucin" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Valine" #~ msgstr "Valin" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyrosine" #~ msgstr "Tyrozin" #~ msgid "Tyr" #~ msgstr "Tyr" #~ msgid "Tryptophan" #~ msgstr "Tryptofan" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "T(h)reonin" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "Serin" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Prolin" #~ msgid "Phenylalanine" #~ msgstr "Fenylalanin" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "Metionin" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Lyzin" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "Leucin" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "Posloupnost (N k C):" #~ msgid "Stereochemistry:" #~ msgstr "Stereochemie:" #~ msgid "L" #~ msgstr "L" #~ msgid "N Terminus:" #~ msgstr "Koncový bod N:" #~ msgid "C Terminus:" #~ msgstr "Koncový bod C:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Structure:" #~ msgstr "Stavba" #~ msgid "Straight Chain" #~ msgstr "Přímý (nerozvětvený) řetězec" #~ msgid "Alpha Helix" #~ msgstr "Pravotočivá (alfa) šroubovice (alfa helix)" #~ msgid "Beta Sheet" #~ msgstr "Beta list" #~ msgid "Pi Helix" #~ msgstr "Šroubovice Pi" #~ msgid "Phi:" #~ msgstr "Fí:" #~ msgid "Psi:" #~ msgstr "Psí:" #~ msgid "Chain Number:" #~ msgstr "Číslo řetězce" #~ msgid "The chain number for the new peptide" #~ msgstr "Číslo řetězce pro nový peptid" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Počet zbytků:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energie (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Dipólový moment (D):" #~ msgid "select Fragment" #~ msgstr "vybrat Fragment" #~ msgid "Comment" #~ msgstr "Komentář" #~ msgid "Frequency" #~ msgstr "Frekvence" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Format" #~ msgstr "Formát" #~ msgid "z-Matrix" #~ msgstr "z-matice" #~ msgid "Advanced" #~ msgstr "Pokročilé" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "RijCosX" #~ msgstr "RijCosX" #~ msgid "ZORA" #~ msgstr "ZORA" #~ msgid "IORA" #~ msgstr "IORA" #~ msgid "DKH" #~ msgstr "DKH" #~ msgid "Corr. ECP" #~ msgstr "Korigované ECP" #~ msgid "MOs" #~ msgstr "MO" #~ msgid "Small" #~ msgstr "Malé" #~ msgid "Damping" #~ msgstr "Tlumení" #~ msgid "Factor" #~ msgstr "Faktor" #~ msgid "Accuracy" #~ msgstr "Přesnost" #~ msgid "KDIIS" #~ msgstr "KDIIS" #~ msgid "SOSCF" #~ msgstr "SOSCF" #~ msgid "NRSCF" #~ msgstr "NRSCF" #~ msgid "AHSCF" #~ msgstr "AHSCF" #~ msgid "SCF Type" #~ msgstr "SCF typ" #~ msgid "Grid" #~ msgstr "Mřížka" #~ msgid "POV-Ray Export" #~ msgstr "Export do POV-Ray" #~ msgid "Select..." #~ msgstr "Vybrat..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Vyhlazování použít pro celou scénu" #~ msgid "Antialias" #~ msgstr "Vyhlazování" #~ msgid "Set the background color to be transparent" #~ msgstr "Nastavit pozadí jako průhledné" #~ msgid "Alpha transparency" #~ msgstr "Alfa průhlednost" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Vykreslit molekulu přímo použitím POV-Ray pro příkazovou řádku" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Uložit zdrojový kód POV-Ray po dokončení vykreslení scény" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Uložit zdrojový kód POV-Ray po vykreslení scény" #~ msgid "Path:" #~ msgstr "Cesta:" #~ msgid "Abinit Input" #~ msgstr "Vstup Abinit" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Kartézský (Angstrom)" #~ msgid "Reduced" #~ msgstr "Zmenšený" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Ukončení rovinné vlny (Ha):" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Tolerance na síly (Ha/bohr):" #~ msgid "Max lattice expansion:" #~ msgstr "Největší roztažení mřížky" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "Posun k-bodu:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Počet pásem:" #~ msgid "# k-point shifts:" #~ msgstr "# Posuny k-bodů:" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "Dvojitá mřížka PW ukončení (Ha):" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Schéma obsazení:" #~ msgid "SCF tolerance type:" #~ msgstr "Typ tolerance SCF:" #~ msgid "Wave Function norm" #~ msgstr "Průměrná hodnota vlnové funkce" #~ msgid "Total Potential" #~ msgstr "Celkový potenciál" #~ msgid "Relative Force" #~ msgstr "Poměrná síla" #~ msgid "1 - semiconducting" #~ msgstr "Poměrná síla" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - Studený nátěr (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 - Gaussovský nátěr" #~ msgid "Smearing width (Ha):" #~ msgstr "Šířka nátěru (Ha):" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - žádné pohybující se ionty " #~ msgid "1 - viscous damping" #~ msgstr "1 - vazké tlumení" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS s energií" #~ msgid "# Geometrical time steps:" #~ msgstr "# Pravidelné časové kroky:" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Vyhlazování pohybové energie (Ha):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Počítá se..." #~ msgid "Dalton Input" #~ msgstr "Vstup Dalton" #~ msgid "Basics" #~ msgstr "Základy" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Přidá to, co napíšete do řádku s názvem u vstupního souboru pro vaše\n" #~ "vlastní informativní účely." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Pople-styl" #~ msgid "Jensen's polarization consistent" #~ msgstr "Soudržné s Jensenovou polarizací" #~ msgid "Dunning's correlation consistent" #~ msgstr "Soudržné s Dunningovou souvztažností" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Hlavní vzájemně závislé funkce" #~ msgid "Diffuse functions" #~ msgstr "Difúzní funkce" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Přímo" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Spustit souběžně tam, kde je to možné. Toto je možné jen pro\n" #~ "vlnové funkce SCF a výpočty DFT. Dalton v současném vydání\n" #~ "podporuje pouze MPI a musí se sestavit a nainstalovat správně.\n" #~ "Počet uzlů se nastavuje pomocí volby \"-N #\" při provádění \"dalton\" " #~ "skriptu." #~ msgid "Parallel" #~ msgstr "Souběžně" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Přesný popis mřížky" #~ msgid "Partitioning Scheme:" #~ msgstr "Nákres rozdělení:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (původní)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Kvalita mřížky:" #~ msgid "coarse" #~ msgstr "hrubá" #~ msgid "normal" #~ msgstr "obvyklá" #~ msgid "fine" #~ msgstr "dobrá" #~ msgid "ultrafine" #~ msgstr "hodně dobrá" #~ msgid "Radial Scheme:" #~ msgstr "Paprskovitý nákres:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Ukázat všechny funkce" #~ msgid "Property:" #~ msgstr "Vlastnost:" #~ msgid "Polarizability" #~ msgstr "Polarizabilita" #~ msgid "Frequency Dependent" #~ msgstr "Závislé na kmitočtu" #~ msgid "No. excitations:" #~ msgstr "Počet budičů:" #~ msgid "EFP Matches" #~ msgstr "EFP shody" #~ msgid "Group Label:" #~ msgstr "Skupinový popisek:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Pokročilá nastavení" #~ msgid "Hessian" #~ msgstr "Hesenská matice" #~ msgid "Stat Point" #~ msgstr "Statistický bod" #~ msgid "System" #~ msgstr "Systém" #~ msgid "MO Guess" #~ msgstr "Odhad MO" #~ msgid "Misc" #~ msgstr "Různé" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Funkce rozdělení (polarizace) těžkých atomů:" #~ msgid "Read" #~ msgstr "Číst" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Rozptýlit S obal na těžkých atomech" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Rozptýlit L obal na těžkých atomech" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "" #~ "Zdvojené Zeta mocenství (valence, schopnost reagovat/vytvářet vazby)" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "" #~ "Ztrojené Zeta mocenství (valence, schopnost reagovat/vytvářet vazby)" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA mocenství (valence)" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt mocenství (valence)" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP Typ:" #~ msgid "Default" #~ msgstr "Výchozí" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Funkce rozdělení (polarizace) těžkých atomů:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "# Funkce rozdělení (polarizace) lehkých atomů:" #~ msgid "Polar:" #~ msgstr "Polární" #~ msgid "Max SCF Iterations:" #~ msgstr "Největší možné SCF opakování (iterace):" #~ msgid "Gradient" #~ msgstr "Přechod" #~ msgid "Trudge" #~ msgstr "Namáhavá cesta" #~ msgid "Saddle Point" #~ msgstr "Sedlový bod" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Extremála přechodu" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Přechodové momenty způsobující záření" #~ msgid "Spin Orbit" #~ msgstr "" #~ "Spin Orbit (spin = veličina charakterizující moment hybnosti částic)" #~ msgid "Finite Electric Field" #~ msgstr "Konečné elektrické pole" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Celková optimalizace" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO optimalizace" #~ msgid "Raman Intensities" #~ msgstr "Ramanovy síly" #~ msgid "Make EFP" #~ msgstr "Provést EFP" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Nic (CI)" #~ msgid "Foster-Boys" #~ msgstr "Fosterovi bratři" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF Typ:" #~ msgid "Localization Method:" #~ msgstr "Způsob určení polohy" #~ msgid "Exec Type:" #~ msgstr "Typ provedení" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. determinanta" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Obsazení více aktivních prostorů omezeno" #~ msgid "CI Singles" #~ msgstr "Jednoduché CI" #~ msgid "Full Second Order CI" #~ msgstr "CI zcela druhého řádu" #~ msgid "General CI" #~ msgstr "Obecné CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Napřímené CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC se zdvojením" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC s jednotlivým a zdvojeným" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Obvyklý běh" #~ msgid "Check" #~ msgstr "Kontrola" #~ msgid "Debug" #~ msgstr "Debug" #~ msgid "Molecule Charge:" #~ msgstr "Náklad molekul:" #~ msgid "Run Type:" #~ msgstr "Typ běhu:" #~ msgid "Use MP2" #~ msgstr "Použít MP2" #~ msgid "Use DFT" #~ msgstr "Použít DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# Proměnné matice Z" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Pořadí hlavních os:" #~ msgid "Coordinate Type:" #~ msgstr "Typ souřadnic:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Jedinečné karteziánské souřadnice." #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrantovy vnitřní části" #~ msgid "MOPAC Z-Matrix" #~ msgstr "MOPAC matice Z" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Během výpočtů použít souměrnost" #~ msgid "Point Group:" #~ msgstr "Skupina bodů:" #~ msgid "Minutes" #~ msgstr "Minuty" #~ msgid "Hours" #~ msgstr "Hodiny" #~ msgid "Days" #~ msgstr "Dny" #~ msgid "Weeks" #~ msgstr "Týdny" #~ msgid "Years" #~ msgstr "Roky" #~ msgid "Millenia" #~ msgstr "Tisíciletí" #~ msgid "MegaWords" #~ msgstr "Ohromná slova" #~ msgid "MegaBytes" #~ msgstr "Megabajtů" #~ msgid "GigaWords" #~ msgstr "Obrovská slova" #~ msgid "GigaBytes" #~ msgstr "GigaBajty" #~ msgid "Force Parallel Methods" #~ msgstr "Vynutit obdobné způsoby" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Po přerušení vytvořit \"hlavní\" soubor" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Paměť:" #~ msgid "Diagonalization Method:" #~ msgstr "Způsob diagonalizace matice:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Obdobný typ rozdělení zatížení" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Smyčka" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Další hodnota" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Pro sdělení použít vnější znázornění dat" #~ msgid "Initial Guess:" #~ msgstr "Počáteční předpoklad:" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO přečten ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO uložen (DICTNRY)" #~ msgid "Skip" #~ msgstr "Přeskočit" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Otočit alpha a beta orbitaly" #~ msgid "Print the Initial Guess" #~ msgstr "Ukázat počáteční předpoklad" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Uživatelské rozhraní GAMESS k jiným kódům" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Vynutit jednu zkoušku vykonání běhu" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (verze UK)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussian 9x" #~ msgid "Solvate with Water" #~ msgstr "Solvát s vodou" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Vytvořit přirozené UHF orbitaly" #~ msgid "Direct SCF" #~ msgstr "Přímé SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Vypočítat pouze změnu ve Fockově matici" #~ msgid "Slater exchange" #~ msgstr "Slaterova výměna" #~ msgid "Becke 1988 exchange" #~ msgstr "Výměna Becke 1988" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair (VWN5) vzájemná souvislost" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr vzájemná souvislost" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slaterova výměna + VWN vzájemná souvislost" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE výměna + VWN5 vzájemná souvislost" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE výměna + LYP vzájemná souvislost" #~ msgid "Gill 1996 exchange" #~ msgstr "Výměna Gill 1996" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Výměna Perdew-Burke-Ernzerhof (PBE)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: Vzrůstající vzájemná souvislost jednoho parametru" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr (LYP) vzájemná souvislost" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP vzájemná souvislost" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE výměna + OP vzájemná souvislost" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL výměna + VWN5 vzájemná souvislost" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL výměna + LYP vzájemná souvislost" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE výměna + VWN6 vzájemná souvislost" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE výměna + LYP vzájemná souvislost" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE výměna + OP vzájemná souvislost" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF a BECKE výměna + LYP vzájemná souvislost" #~ msgid "Grid-Free" #~ msgstr "Volná mřížka" #~ msgid "DFT Functional:" #~ msgstr "Funkce DFT:" #~ msgid "AO Integral Storage" #~ msgstr "AO celkové uložiště" #~ msgid "Duplicated on Each Node" #~ msgstr "Zdvojeno na každém uzlu" #~ msgid "Distributed Across All Nodes" #~ msgstr "Rozmístěno na všechny uzly" #~ msgid "words" #~ msgstr "slova" #~ msgid "Compute MP2 Properties" #~ msgstr "Vypočítat vlastnosti MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Přerušení zachování integrálu" #~ msgid "Use Localized Orbitals" #~ msgstr "Použít umístěné orbitaly" #~ msgid "# of Core Electrons:" #~ msgstr "# jaderných elektronů:" #~ msgid "Transformation Method" #~ msgstr "Způsob přeměny" #~ msgid "Two Phase Bin Sort" #~ msgstr "Dvoustupňové dvojkové třídění" #~ msgid "Segmented Transformation" #~ msgstr "Přeměna rozdělená na části" #~ msgid "Numeric" #~ msgstr "Číselná" #~ msgid "Double Differenced Hessian" #~ msgstr "Dvojitě rozlišená Hessenská matice" #~ msgid "Print Internal Force Constants" #~ msgstr "Ukázat vnitřní stálé hodnoty síly" #~ msgid "Displacement Size:" #~ msgstr "Velikost posunutí:" #~ msgid "Purify Hessian" #~ msgstr "Vyčistit Hessenskou matici" #~ msgid "Frequency Scale Factor:" #~ msgstr "Činitel násobení kmitočtu:" #~ msgid "bohrs" #~ msgstr "Bohr" #~ msgid "Initial Hessian" #~ msgstr "Počáteční Hessenská matice" #~ msgid "Guess (+ define)" #~ msgstr "Odhadovat (+ určit)" #~ msgid "Read (from $HESS)" #~ msgstr "Číst (z $HESS)" #~ msgid "Update Step Size" #~ msgstr "Obnovit velikost kroku" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Ukázat orbitaly u každého opakování (iterace)" #~ msgid "Stationary Point" #~ msgstr "Pevný bod" #~ msgid "Initial:" #~ msgstr "Výchozí:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Racionální optimalizace funkcí" #~ msgid "Quadratic Approximation" #~ msgstr "Přibližná hodnota kvadratické rovnice" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (jakoby-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Optimalizace s omezením" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Znovu spočítat všechny Hessenské matice:" #~ msgid "Follow Mode:" #~ msgstr "Režim následku:" #~ msgid "GAMESS-UK Input" #~ msgstr "Vstup GAMESS-UK" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Vstup GAMESS-UK vytvořený Avogadrem" #~ msgid "Transition State Search" #~ msgstr "Hledání změny stavu" #~ msgid "Basis:" #~ msgstr "Základ:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Matice Z" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "V přímém režimu nejsou integrály ukládány na disk, ale jsou spočítány " #~ "znovu podle potřeby.\n" #~ "U moderních systémů s rychlými procesory a pomalými disky je přímý režim " #~ "často rychlejší." #~ msgid "Run in direct mode:" #~ msgstr "Pracovat v přímém režimu:" #~ msgid "Gaussian Input" #~ msgstr "Gaussovský vstup" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Standardní" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Kontrolní bod:" #~ msgid "Z-matrix (compact)" #~ msgstr "Matice Z (pevná)" #~ msgid "MOLPRO Input" #~ msgstr "Vstup MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Verze Molpro:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "Vstup MOPAC" #~ msgid "Quartet" #~ msgstr "Čtveřice" #~ msgid "Quintet" #~ msgstr "Pětice" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Vstup NWChem" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Vstup Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "Zadání TeraChem" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Neomezeno" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "Ne" #~ msgid "yes" #~ msgstr "Ano" #~ msgid "D2" #~ msgstr "D2" #~ msgid "D3" #~ msgstr "D3" #~ msgid "Dispersion:" #~ msgstr "Rozptyl:" #~ msgid "Load Shaders" #~ msgstr "Nahrát tónovače" #~ msgid "Shader Name:" #~ msgstr "Název pro tónovač:" #~ msgid "Vertex Shader:" #~ msgstr "Vrcholový tónovač:" #~ msgid "Fragment Shader:" #~ msgstr "Tónovač fragmentů:" #~ msgid "Assign Shader" #~ msgstr "Přiřadit tónovač" #~ msgid "Display Type:" #~ msgstr "Typ zobrazení:" #~ msgid "Font:" #~ msgstr "Písmo:" #~ msgid "Change Font..." #~ msgstr "Změnit písmo..." #~ msgid "Foreground:" #~ msgstr "Popředí:" #~ msgid "New..." #~ msgstr "Nový..." #~ msgid "Rename..." #~ msgstr "Přejmenovat..." #~ msgid "&Schemes:" #~ msgstr "&Nákresy:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Šířka:" #~ msgid "&Height" #~ msgstr "&Výška:" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "palec" #~ msgid "px" #~ msgstr "px" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Použít vyladěnou hodnotu velikosti písma namísto hodnoty určené podle " #~ "nějaké šablony (velikosti bodů se u obrazovky na obrázky nepřeměňují " #~ "dobře!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Automaticky upravit ve&likost písma" #~ msgid "Spectra Tab" #~ msgstr "Karta spekter" #~ msgid "&Gaussian Width:" #~ msgstr "&Gaussovská šířka:" #~ msgid "&Label peaks" #~ msgstr "&Vrcholy popisků" #~ msgid "Rotatory Strength type:" #~ msgstr "Typ točivé síly:" #~ msgid "Energy units:" #~ msgstr "Jednotky měření:" #~ msgid "Density units" #~ msgstr "Jednotky hustoty" #~ msgid "Fermi Energy: " #~ msgstr "Fermiho energie: " #~ msgid "States / Cell" #~ msgstr "Stavy/Buňka" #~ msgid "States / Atom" #~ msgstr "Stavy/Atom" #~ msgid "States / Valence electron" #~ msgstr "Stavy/valenční elektron" #~ msgid "Fermi energy at zero" #~ msgstr "Fermiho energie při nule" #~ msgid "Scale integrated DOS" #~ msgstr "Škálovat začleněný DOS" #~ msgid "Show integrated DOS" #~ msgstr "Ukázat začleněný DOS" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "&Jednotky na ose y:" #~ msgid "Scaling Type:" #~ msgstr "Typ změny měřítka:" #~ msgid "Relative" #~ msgstr "Poměrný" #~ msgid "Laser Wavenumber:" #~ msgstr "Vlnočet laseru:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Nucleus:" #~ msgstr "Jádro:" #~ msgid "Gaussian &Width:" #~ msgstr "Gaussovská &šířka:" #~ msgid "Reset &Plot Axes" #~ msgstr "Obnovit osy ýnákresu" #~ msgid "Label Peaks:" #~ msgstr "Vrcholy popisků" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Molekulární vibrace" #~ msgid "Filter: " #~ msgstr "Filtr: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Činnost (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Ukázat spektra..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "Větší chvění kmitočtu ukáže rychlejší pohyb" #~ msgid "Animation speed set by frequency" #~ msgstr "Rychlost animace nastavená podle kmitočtu" #~ msgid "Display force &vectors" #~ msgstr "Zobrazit &vektory síly" #~ msgid "&Normalize displacements" #~ msgstr "&Normalizovat posuvy" #~ msgid "&Recalculate All" #~ msgstr "&Spočítat vše znovu" #~ msgid "Default &Quality:" #~ msgstr "Výchozí &kvalita:" #~ msgid "Show occupied orbitals first" #~ msgstr "Ukázat obsazené orbitaly jako první" #~ msgid "Limit orbital precalculations to " #~ msgstr "Omezit předvýpočty orbitalů na " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "orbitaly okolo HOMO/LUMO" #~ msgid "Surface Type:" #~ msgstr "Typ povrchu:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Nízký" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Střední" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Vysoký" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Velmi vysoký" #~ msgid "Isosurface cutoff value" #~ msgstr "Hodnota přerušení isopovrchu" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Typ zobrazení vstupu:" #~ msgid "New Display" #~ msgstr "Nové zobrazení" #~ msgid "Advanced..." #~ msgstr "Pokročilé..." #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "Dé&lka:" #~ msgid "Uni&t:" #~ msgstr "`Jedno&tka:" #~ msgid "periodic units" #~ msgstr "Periodické jednotky" #~ msgid "angstrom" #~ msgstr "angstrom" #~ msgid "bohr radii" #~ msgstr "Bohrova poloměru" #~ msgid "nanometers" #~ msgstr "nanometrů" #~ msgid "&Cap with hydrogen" #~ msgstr "&Přikrýt vodíkem" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "Toto může chvíli trvat. Pokud by byly potřeba pouze souřadnice\n" #~ "atomů, např. pro kvantově mechanické výpočty), stačilo by\n" #~ "zobrazení jednotlivých vazeb." #~ msgid "Find &double bonds" #~ msgstr "Najít &dvojité vazby" #~ msgid "Molecular Symmetry" #~ msgstr "Molekulová symetrie" #~ msgid "VRML Export" #~ msgstr "VRML Export" #~ msgid "Scale (mm/Å):" #~ msgstr "Měřítko (mm/Å):" #~ msgid "Calculate Size..." #~ msgstr "Vypočítat velikost..." #~ msgid "Display visual cues" #~ msgstr "Zobrazit vizuální vodítka" #~ msgid "Python Settings" #~ msgstr "Nastavení Pythonu" #~ msgid "Z Matrix Editor" #~ msgstr "Editor matice Z" avogadrolibs-1.100.0/i18n/da.po000066400000000000000000010261251474375334400160550ustar00rootroot00000000000000# Danish translation for avogadro # Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2010. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-14 07:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Danish \n" "Language: da\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, fuzzy, qt-format msgid "%1 Input Generator" msgstr "%1 Input Generator" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Fortsæt" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Ukendt" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Hydrogen" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Lithium" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Beryllium" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Kulstof" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Kvælstof" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Ilt" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Natrium" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnesium" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Aluminium" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silicium" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Svovl" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Klor" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Kalium" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Calcium" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Scandium" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titanium" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadium" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Krom" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Jern" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Kobolt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nikkel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Kobber" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Zink" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsen" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selen" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Yttrium" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirconium" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niobium" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molybdæn" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Technetium" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Ruthenium" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rhodium" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Sølv" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Cadmium" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Tin" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Tellur" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Jod" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Cæsium" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lanthan" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cerium" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodym" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodym" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Promethium" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Thulium" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Wolfram" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Rhenium" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platin" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Guld" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Kviksølv" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Tallium" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Bly" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bismuth" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astat" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Actinium" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Thorium" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protactinium" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uran" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Americium" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Californium" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Røntgenium" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Copernicium" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moscovium" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tennesin" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:23 #, fuzzy msgid "Browse" msgstr "Gennemse" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Alle filer" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Titel" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 #, fuzzy msgid "[no molecule]" msgstr "[intet molekyle]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Bold og stav" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Tegneserie" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Kraft" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Etiket" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 #, fuzzy #| msgid "QTAIM" msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Trådramme" #: qtgui/moleculemodel.cpp:92 #, fuzzy msgid "Untitled" msgstr "uden navn" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodisk tabel" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Tilføj atom" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Fjern atom" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Juster brintatomer" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Skift element" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Skift element" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Tilføj binding" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 #, fuzzy msgid "Clear Bonds" msgstr "Slet binding" #: qtgui/rwmolecule.cpp:335 #, fuzzy msgid "Set Bond Orders" msgstr "Bindingsorden" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Ændr bindingsorden" #: qtgui/rwmolecule.cpp:369 #, fuzzy msgid "Update Bonds" msgstr "Hægt på bindinger" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 #, fuzzy msgid "Remove Unit Cell" msgstr "Fjern enhedscelle" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 #, fuzzy msgid "Wrap Atoms to Cell" msgstr "Fold atomer til celle" #: qtgui/rwmolecule.cpp:522 #, fuzzy msgid "Scale Cell Volume" msgstr "Skalér celle til volumen" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 #, fuzzy msgid "Reduce to Primitive" msgstr "Reducer celle (primitiv)" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Fyld enhedscelle" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "Indstillinger" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Fil" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 #, fuzzy msgid "&Export" msgstr "&Eksportér" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Byg" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Ret ind" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Akser:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, fuzzy msgid "IO Error" msgstr "Fejl" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Fejl" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "Succes" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "Af brugerdefineret farve…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "Af Element" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy #| msgid "Color by Partial Charge" msgid "By Partial Charge…" msgstr "Af delvis ladning…" #: qtplugins/applycolors/applycolors.cpp:82 #, fuzzy msgid "By Secondary Structure" msgstr "Af sekundære struktur" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 #, fuzzy #| msgid "Spectra" msgctxt "colormap" msgid "Spectral" msgstr "Spektre" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Vis" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 #, fuzzy msgid "Color Residues" msgstr "Farv rest" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Vis flere bindinger" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Bindingscentreret manipulation" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Bindingscentreret manipulation" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "Binding" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Bånd" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Tegneserie" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Tegneserie" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 #, fuzzy msgid "Maximum distance:" msgstr "Maksimal afstand:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "Udvidelser" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #, fuzzy msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 #, fuzzy #| msgid "Other..." msgid "Other…" msgstr "Andet…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "koordinat-editor" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "Koordinat-editor" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Elementnavn." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Atom nummer." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energi" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 #, fuzzy msgid "Molecular Dynamics" msgstr "Molekylær dynamik" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 #, fuzzy msgid "Geometry Optimization" msgstr "Geometrisk Optimering" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 #, fuzzy msgid "Molecular Mechanics" msgstr "Molekylær Mekanik" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 #, fuzzy msgid "Conjugate Gradients" msgstr "Konjugér gradienter" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 #, fuzzy msgid "Steepest descent" msgstr "Stejleste nedgang" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy msgid "Import Crystal from Clipboard…" msgstr "Importer krystal fra udklipsholder…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy msgid "Edit Unit Cell…" msgstr "Tilføj enhedscelle…" #: qtplugins/crystal/crystal.cpp:57 #, fuzzy msgid "&Wrap Atoms to Unit Cell" msgstr "&Fold atomer til celle" #: qtplugins/crystal/crystal.cpp:63 #, fuzzy msgid "Rotate to Standard &Orientation" msgstr "Roter til standard&orientering" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy msgid "Scale Cell &Volume…" msgstr "Skalér celle til &volumen…" #: qtplugins/crystal/crystal.cpp:74 #, fuzzy msgid "Build &Supercell…" msgstr "&Supercelle…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Reducer celle (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "&Crystal" msgstr "Krystallografi" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Fjern &enhedscelle" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Tilføj &enhedscelle" #: qtplugins/crystal/crystal.cpp:168 #, fuzzy msgid "Import Crystal from Clipboard" msgstr "Importer krystal fra udklipsholder" #: qtplugins/crystal/crystal.cpp:175 #, fuzzy msgid "Wrap atoms into the unit cell." msgstr "Fold atomer til celle." #: qtplugins/crystal/crystal.cpp:177 #, fuzzy msgid "Rotate the unit cell to the standard orientation." msgstr "Roter til standardorientering" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "Krystal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 #, fuzzy msgid "Color axes:" msgstr "Farver akser:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Tegn" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Tegn atom" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Afstand:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Enkelt" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Dobbelt" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Tredobbelt" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 #, fuzzy msgid "&Import" msgstr "&Importér" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Hent PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Kemisk struktur som skal hentes." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Netværkhentningsfejl" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Netværks timeout eller anden fejl." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Det angivne molekyle kunne ikke findes: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Hent fra PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 #, fuzzy msgid "Optimize Geometry" msgstr "Optimer geometri" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate Energy" msgid "&Calculate" msgstr "Udregn" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "%1 Energi = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield optimization" msgstr "Kraftfelt Optimering" #: qtplugins/forcefield/forcefield.h:50 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" msgstr "Kraftfelt Optimering" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "Enkelt" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Juster brintatomer" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Tilføj brintatomer" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Fjern brintatomer" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "&Hydrogen" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hydrogen" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Indsæt" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 #, fuzzy #| msgctxt "Ultra-Violet spectrum" #| msgid "UV" msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 #, fuzzy #| msgid "Molecule" msgid "Insert Molecule…" msgstr "Indsæt Molekyle…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "Molekyle…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Krystal…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Indsæt fragment" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Indsæt fragment" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Indsæt molekylærfragmenter for at bygge størrer molekyler" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 #, fuzzy msgid "Color:" msgstr "Farver:" #: qtplugins/label/label.cpp:170 #, fuzzy msgid "Distance from center:" msgstr "Afstand fra centrum:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Ingen" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "Unikt id" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 #, fuzzy msgid "Atom Label:" msgstr "Etiket" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 #, fuzzy msgid "Residue Label:" msgstr "Restnavn" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Vil du opdatere forhåndsvisningsteksten, du mister alle ændringer i den " "gaussiske inputplatform forhåndsvisningspanelet?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 #, fuzzy msgid "SMILES…" msgstr "SMILES,,," #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 #, fuzzy msgid "No descriptors found!" msgstr "Ingen beskrivelse" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipulér" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Mål" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Hældning:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Vinkel:" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "Vinkel:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(afventende)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy msgid "&Molecular…" msgstr "&Molekylær…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Egenskaber" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Molekylære egenskaber" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 #, fuzzy msgid "Molecule Properties" msgstr "Molekyle egenskaber" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 #, fuzzy msgid "Export CSV" msgstr "Eksportér CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 #, fuzzy #| msgid "WFN files (*.wfn);;All files (*.*)" msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV-filer (*.csv);;Alle filer (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 #, fuzzy #| msgid "Could not open file '%1' for writing." msgid "Could not open the file for writing." msgstr "Kunne ikke åbne fil '%1' for at skrive til den." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy msgid "Export…" msgstr "Eksportér…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigér" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Kemisk navn" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 #, fuzzy #| msgid "°" msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 #, fuzzy msgid "Configure Force Field…" msgstr "Indstil kraftfelt…" #: qtplugins/openbabel/openbabel.cpp:59 #, fuzzy #| msgid "Conformer Search..." msgid "Conformer Search…" msgstr "Søg efter konformationer…" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Til hydrogen til pH…" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "Fjern brintatomer" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Optimer geometri (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Tilføj brintatomer (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "Til hydrogen til pH" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Fjern brintatomer (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Vil du opdatere forhåndsvisningsteksten, du mister alle ændringer lavet i " "OpenMM forhåndsvisningspanelet?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Stop" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "video file (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 #, fuzzy msgid "Save File" msgstr "Gem fil" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Valens" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "Farver" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Type" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Slut Atom" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Bindingsorden" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Længde (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 #, fuzzy msgid "Secondary Structure" msgstr "Sekundære Struktur" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Atom 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Vertex" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Atom 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Vinkel (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Atom 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Atom 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:939 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "Ark" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "Atom Egenskaber…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "Bindings Egenskaber…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Vinkel Egenskaber…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy #| msgid "Torsion Properties" msgid "Torsion Properties…" msgstr "Drejningsegenskaber…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "Vindue til at vise atomer-, binding-, vinkle- og drejningsegenskaber." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Egenskaber" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Atom Egenskaber..." #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Bindings Egenskaber" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Vinkel Egenskaber" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Drejningsegenskaber" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Konformationsegenskaber" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Tegner elementer med brug af QTAIM-egenskaber" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Åbn WFN-fil" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN-filer (*.wfn);;Alle filer (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "Nulstil" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Element…" msgstr "Vælg efter Element…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Residue…" msgstr "Vælg efter rest…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Vælg" #: qtplugins/select/select.cpp:180 #, fuzzy #| msgid "Select by Residue..." msgid "Select Element" msgstr "Vælg element" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" msgstr "Vælg rest" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "Vælg" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Udvalg" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Fyld enhedscelle…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgid "Spectra" msgid "Spectra" msgstr "Spektre" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "Infrarød" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 #, fuzzy #| msgctxt "NMR spectra option" #| msgid "NMR" msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 #, fuzzy #| msgid "&Density Of States Settings" msgid "Density of States" msgstr "Densitet på tilstande" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Vælg baggrundsfarve" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Vælg forgrundsfarve" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 #, fuzzy #| msgid "Wavenumber (cm-1)" msgid "Wavenumbers (cm⁻¹)" msgstr "Bølgenummer (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 #, fuzzy #| msgid "Spectra" msgid "NMR Spectra" msgstr "NMR Spektre" #: qtplugins/spectra/spectradialog.cpp:614 #, fuzzy #| msgid "Shift (ppm)" msgid "Chemical Shift (ppm)" msgstr "Skift (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 #, fuzzy #| msgid "Energy" msgid "Energy (eV)" msgstr "Energi (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Status" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Molekylær omløbsbane" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Elektrontæthed" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Create Surfaces" msgid "Create Surfaces…" msgstr "Skab overflader…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 #, fuzzy msgid "Calculating electron density" msgstr "Udregner elektrontæthed" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Overflader" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, fuzzy, qt-format msgid "Group %1" msgstr "Gruppe %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "Vibration" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, fuzzy, qt-format #| msgid "MOPAC failed to start." msgid "Error: %1 failed to start" msgstr "%1 kunne ikke startes" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Form" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "Indsæt fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Kraftfelt:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Succes!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Color by Partial Charge" msgid "Partial Charges" msgstr "Delvis ladning" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Anvend" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Gem fil…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Bindingsorden:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "navn" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C:" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "B:" msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other..." msgid "Other" msgstr "Andet" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Enkelt" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Dobbelt" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) #, fuzzy #| msgid "Conformer Search..." msgid "Conformer Search" msgstr "Søg efter konformationer" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) #, fuzzy #| msgid "Systematic Rotor Search" msgid "Systematic rotor search" msgstr "Systematisk rotor søgning" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) #, fuzzy #| msgid "Random Rotor Search" msgid "Random rotor search" msgstr "Tilfældig rotor søgning" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) #, fuzzy #| msgid "Weighted Rotor Search" msgid "Weighted rotor search" msgstr "Vægtet rotor søgning" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Stejleste nedgang" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Kraftfelt:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Enkelt" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Dobbelt" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Begrænsninger:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Wavelængde:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Width:" msgid "Peak Width:" msgstr "Bredde:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Udseende" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) #, fuzzy msgid "&Import..." msgstr "&Importér..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy #| msgid "Import Spectra" msgid "Imported Spectra:" msgstr "Importer spektrum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) #, fuzzy msgid "&Export..." msgstr "&Eksportér..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Export Calculated Spectrum" msgid "Calculated Spectra:" msgstr "udregnet spektrum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) #, fuzzy msgid "Export Data" msgstr "Eksportér data" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Skab overflader" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Farv efter:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Iso værdi:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " (" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Lys" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekyle" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "Type:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) #, fuzzy msgid "From Clipboard" msgstr "Fra udklipsholder" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Grupper" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Gruppe:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,nanker, ,Launchpad Contributions:,dlonie,nanker," "olegb, ,Launchpad Contributions:,Avogadro Team,dlonie,nanker,olegb, ," "Launchpad Contributions:,Avogadro Team,Joe Hansen,dlonie,nanker,olegb, ," "Launchpad Contributions:,Avogadro Team,Joe Hansen,dlonie,nanker,olegb, ," "Launchpad Contributions:,Avogadro Team,Joe Hansen,dlonie,nanker,olegb, ," "Launchpad Contributions:,Avogadro Team,Joe Hansen,Stine Nielsen,dlonie," "nanker,olegb, ,Launchpad Contributions:,Anton Rasmussen,Avogadro Team,Joe " "Hansen,Ole Guldberg,Stine Nielsen,dlonie,jvd,nanker, ,Launchpad " "Contributions:,Anton Rasmussen,Avogadro Team,Joe Hansen,Ole Guldberg,Stine " "Nielsen,dlonie,jvd,nanker, ,Launchpad Contributions:,Anton Rasmussen," "Avogadro Team,Joe Hansen,Ole Guldberg,Stine Nielsen,dlonie,jvd,nanker" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,,loniedavid@gmail.com,,,,,avogadro-devel@lists.sourceforge.net," "loniedavid@gmail.com,,,,,avogadro-devel@lists.sourceforge.net,," "loniedavid@gmail.com,,,,,avogadro-devel@lists.sourceforge.net,," "loniedavid@gmail.com,,,,,avogadro-devel@lists.sourceforge.net,," "loniedavid@gmail.com,,,,,avogadro-devel@lists.sourceforge.net,,," "loniedavid@gmail.com,,,,,amhrasmussen@gmail.com,avogadro-devel@lists." "sourceforge.net,,olegb@omgwtf.dk,,loniedavid@gmail.com,jvd@tuta.io,,,," "amhrasmussen@gmail.com,avogadro-devel@lists.sourceforge.net,,olegb@omgwtf." "dk,,loniedavid@gmail.com,jvd@tuta.io,,,,amhrasmussen@gmail.com,avogadro-" "devel@lists.sourceforge.net,,olegb@omgwtf.dk,,loniedavid@gmail.com,jvd@tuta." "io," #, fuzzy #~| msgid "Color by Partial Charge" #~ msgid "Partial Charge" #~ msgstr "Farv efter delvis ladning" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animation" #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals" #, fuzzy #~ msgid "Geometry" #~ msgstr "Geometri" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Tilføj &enhedscelle" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Atom nummer" #, fuzzy #~ msgid "By Distance" #~ msgstr "Afstand" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Atom nummer" #, fuzzy #~| msgid "Molecule" #~ msgid "Molecule Name:" #~ msgstr "Molekyle" #, fuzzy #~ msgid "Optimize" #~ msgstr "&Optimer geometri" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragment..." #, fuzzy #~| msgid "Other..." #~ msgid "Other..." #~ msgstr "Andet..." #, fuzzy #~ msgid "Filename" #~ msgstr "Filnavn:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Render protein sekundære struktur" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navigér" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navigér" #~ msgid "OK" #~ msgstr "OK" #~ msgid "Cancel" #~ msgstr "Annullér" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Elementnavn" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Alle filer" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Rhombohedral" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molekyle" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Intet molekylesæt" #, fuzzy #~ msgid "Crystal..." #~ msgstr "Indsæt krystal" #~ msgid "SMILES..." #~ msgstr "SMILES,,," #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Tilføj H til pH" #~ msgid "Atom Properties..." #~ msgstr "Atom Egenskaber..." #~ msgid "Bond Properties..." #~ msgstr "Bindings Egenskaber..." #~ msgid "Angle Properties..." #~ msgstr "Vinkel Egenskaber..." #~ msgid "Torsion Properties..." #~ msgstr "Drejningsegenskaber..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Molekyle egenskaber..." #~ msgid "Create Surfaces..." #~ msgstr "Skab overflade..." #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Afstand (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Roterbar" #, fuzzy #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "Konformation %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "Konformation %1" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Vinkel %1" #, fuzzy #~ msgid "Angle" #~ msgstr "Vinkel:" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "Konformation %1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Drejning %1" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "Energi (eV)" #~ msgid "Yes" #~ msgstr "Ja" #~ msgid "No" #~ msgstr "Nej" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Input Generator" #, fuzzy #~ msgid "Import" #~ msgstr "Importér" #~ msgid "Insert SMILES" #~ msgstr "Indsæt SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Indsæt SMILES fragment:" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "Indsæt krystal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Indsæt molekylærfragmenter for at bygge størrer molekyler" #~ msgid "E&xtensions" #~ msgstr "Udvidelser" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimer geometri" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometrisk Optimering" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Tilføj brintatomer" #, fuzzy #~ msgid "Stopped" #~ msgstr "Stop" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Overflader" #~ msgid "Color by Index" #~ msgstr "Farv efter Index" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Farv efter Index (rød, orange, gul, grøn, blå, violet)." #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "Farv efter atomlading (blå = positiv, rød = negativ)" #~ msgid "Custom Color:" #~ msgstr "Brugerdefineret farve:" #~ msgid "Set custom colors for objects" #~ msgstr "Vælg brugerdefinerede farver for objekter" #~ msgid "Color by Distance" #~ msgstr "Farv efter afstand" #~ msgid "Color by distance from the first atom." #~ msgstr "Farv efter afstand fra det første atom" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Farv efter grundstof (kulstof = grå, oxygen = rød, ... )" #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Farv efter rest (aminosyrere, hydrofobi, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS-mønster:" #~ msgid "Highlight Color:" #~ msgstr "Fremhævningsfarve:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Farve efter SMARTS-mønster" #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Motorer" #~ msgid "Axes" #~ msgstr "Akser" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Render primitiver med kugler (atomer) og stave (bindinger)" #~ msgid "Hydrogen Bond" #~ msgstr "Hydrogen-binding" #~ msgid "Renders hydrogen bonds" #~ msgstr "Gengiver hydrogen-bindinger" #~ msgid "Select Atom Labels Color" #~ msgstr "Vælg farve for atometiketter" #~ msgid "Select Bond Labels Color" #~ msgstr "Vælg farve for bindingsetiketter" #~ msgid "Select Bond Labels Font" #~ msgstr "Vælg skrifttype for bindingsetiketter" #~ msgid "Polygon" #~ msgstr "Polygon" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Render atomer som tetraeder, oktraeder eller andre polygoner" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Render protein-rygrad som bånd" #~ msgid "Ring" #~ msgstr "Ring" #~ msgid "Renders rings with colored planes" #~ msgstr "Render ringe med farvede flader" #~ msgid "Simple Wireframe" #~ msgstr "Simpel trådramme" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Render bindinger som tråde (linier), godt til store molekyler" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waals sfærer" #~ msgid "Stick" #~ msgstr "Stang" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Elektrontæthed, isooverflade = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isoflade = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Render bindinger sim tråde (linier), godt til meget store (bio) molekyler" #~ msgid "DL-POLY HISTORY files" #~ msgstr "DL-POLY HISTORIK-filer" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Tilføj .avi filendelse" #~ msgid "Animation..." #~ msgstr "Animation..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Kan ikke læse filformatet på filen %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Læsning af banefil %1 fejlede." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Skal vælge en gyldig .avi fil" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "GL widget bliv ikke initialiseret korrekt, så videoen kan ikke gemmes" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "Ugyldigt video filnavn. Hele stien til filen skal inkluderes" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Ugyldigt video filnavn. Hele stien til filen, samt filnavnet med .avi " #~ "endelse, skal inkluderes" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Kunne ikke bestemme format ud fra filnavn: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animer bane, reaktioner og vibrationer" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Ingen enhedscelle defineret for molekyle - kan ikke bruge fraktionelle " #~ "koordinater." #~ msgid "Cartesian Editor..." #~ msgstr "Kartesiansk editor..." #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Antal af roterbare bindinger: %1" #~ msgid "Add constraint" #~ msgstr "Tilføj afhængighed" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Dit molekyle skal indeholde mindst et atom for at kunne tilfæje en " #~ "afhængighed" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Dit molekyle skal indeholde mindst to bindinger for at kunne tilføje en " #~ "bindingsafhængighed" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Dit molekyle skal indeholde mindst tre atomer for at kunne tilføje en " #~ "vinkelafhængighed" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Dit molekyle skal have mindst 4 atomer for at tilføje en drejningsgrænse" #~ msgid "&Reduce" #~ msgstr "&Reducer" #~ msgid "&Length Unit" #~ msgstr "&Længdeenhed" #~ msgid "&Angle Unit" #~ msgstr "&Vinkelenhed" #~ msgid "Show &Editors" #~ msgstr "Vis &editorer" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Gittertype: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Volumen af enhedscelle: %L1%2" #~ msgid "Undefined" #~ msgstr "Udefineret" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Orthorhombisk" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Kubisk" #~ msgid "&Fill Unit Cell" #~ msgstr "&Fyld enhedscelle" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometer" #~ msgid "&Picometer" #~ msgstr "&Picometer" #~ msgid "&Degree" #~ msgstr "&Grad" #~ msgid "&Radian" #~ msgstr "&Radian" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Bevar &kartesiske koordinater under ændring af celle" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Bevar &fractionelle koordinater under ændring af celle" #~ msgid "Display &cartesian matrix" #~ msgstr "Vis &kartesisk matrix" #~ msgid "Display as &column vectors" #~ msgstr "Vi som &søjlevektorer" #~ msgid "Trajectory..." #~ msgstr "Bane..." #~ msgid "Open chemical file format" #~ msgstr "Åben chemical filformatet" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Chemical filer (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Åben parameter fil" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Chemical filer (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importer bane" #~ msgid "Import trajectory files" #~ msgstr "Importer banefil" #~ msgid "Constraints..." #~ msgstr "Afhængigheder" #~ msgid "ForceField" #~ msgstr "KraftFelt" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimiser molekyler og generer konformationer ved at bruge mekanisk " #~ "kraftfelter" #~ msgid "Change H to Methyl" #~ msgstr "Ændre H til Methyl" #~ msgid "H to Methyl" #~ msgstr "H til Methyl" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Ændre hydrogen til metylgrupper" #~ msgid "Add or remove hydrogens" #~ msgstr "Tilføj eller fjern hydrogen" #~ msgid "Peptide..." #~ msgstr "Peptid..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Indsæt oligopeptide sekvenser" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "ukendt" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Estimer dipolaritet (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Vis standard molekylære egenskaber." #~ msgid "Fetch from URL..." #~ msgstr "Hent fra URL..." #~ msgid "PDB Entry" #~ msgstr "PDB element" #~ msgid "PDB entry to download." #~ msgstr "PDB element der skal hentes." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL til molekylerne som skal hentes." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Det angivne molekyle kunne ikke indlæses: %1" #~ msgid "Network Fetch" #~ msgstr "Hent fra netværk" #~ msgid "Fetch molecule files over the network." #~ msgstr "Hent molekyle filer fra netværk" #~ msgid "Show Preview" #~ msgstr "Se forhåndsvisning" #~ msgid "Hide Preview" #~ msgstr "Skjul miniature" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Gem POV-Ray renderet billede" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Billedfiler (*.png, *pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Intet gyldigt filnavn angivet." #~ msgid "Does not compute." #~ msgstr "Kan ikke behandles." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Du har valgt ikke at bruge direkte rendering med POV-Ray og ikke at gemme " #~ "POV-Ray filen. Dette betyder at der ikke vil blive gemt noget output. Er " #~ "du sikker på det er hvad du vil ?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Kan ikke skrive til filen %1. Har du tilladelse til at skrive til denne " #~ "lokation." #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray kunne ikke startes." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray kunne ikke startes. Måske er stien til den kørbarefil ikke " #~ "korrekt." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Skab POV-Ray filer og render dem med kommandolinie programmet POV-Ray." #~ msgid "Conformer Properties..." #~ msgstr "Konformationsegenskaber..." #~ msgid "Python Terminal" #~ msgstr "Python terminal" #~ msgid "pythonTerminalDock" #~ msgstr "pythonterminal" #~ msgid "Interactive python scripting terminal" #~ msgstr "Interaktiv pythonskript terminal." #~ msgid "QM Matches" #~ msgstr "Ens QM'er" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP Valg..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM Valg..." #~ msgid "Delete" #~ msgstr "Slet" #~ msgid "You must make a selection!" #~ msgstr "Du skal lave et valg!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES konvertering ikke tilgængelig" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES format konvertering ikke tilgængelig!" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Skab inputfil til GAMESS kvantekemipakken" #~ msgid "Advanced Settings Changed" #~ msgstr "Advancerede Indstillinger er ændret" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Advancerede Indstillinger er ændret.\n" #~ "Kassere?" #~ msgid "Advanced Settings Reset" #~ msgstr "Advancerede Indstillinger Nulstilling" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Er du sikker på du ønsker at nulstille de advancerede indstillinger ?\n" #~ "Alle ændringer vil gå tabt!" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Er du sikker på du ønsker at nulstille de gundlæggende indstillinger ?\n" #~ "Alle ændringer vil gå tabt!" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussisk inputplatform generation advarsel" #~ msgid "Gaussian Running." #~ msgstr "Gasussian kører" #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "Gaussian kører allerede. Vent til den forrige beregning er færdig." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian er ikke installeret." #~ msgid "The G03 executable, cannot be found." #~ msgstr "G03 kørbare fil, kan ikke findes." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 kunne ikke startes. Måske er den ikke installeret korrekt." #~ msgid "Running Gaussian calculation..." #~ msgstr "Kører Gaussian-beregning..." #~ msgid "G03 Crashed." #~ msgstr "G03 havde et nedbrud." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian blev ikke afviklet korrekt. Måske er programmet ikke installeret " #~ "korrekt." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC input advarsel" #~ msgid "MOPAC Running." #~ msgstr "MOPAC afvikles." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC beregner. Vent til den nuværende beregning færdiggøres." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC er ikke installeret." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "MOPAC kørbar fil kan ikke findes." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC kunne ikke startes. Måske er det ikke korrekt installeret." #~ msgid "Running MOPAC calculation..." #~ msgstr "Afvikler MOPAC beregninger..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC brød ned." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC blev ikke afviklet korrekt. Måske er der ikke installeret korrekt." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "NWChem inputplatform generator advarsel" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Vil du opdatere forhåndsvisningsteksten, du mister alle ændringer lavet i " #~ "NWChem forhåndsvisningspanelet?" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem input platform advarsel" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Vil du opdatere forhåndsvisningsteksten, du mister alle ændringer i Q-" #~ "Chem input platform forhåndsvisningspanelet?" #~ msgid "Select SMARTS..." #~ msgstr "Vælg SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Tilføj navngivet sektion..." #~ msgid "SMARTS Selection" #~ msgstr "SMARTS udvalg" #~ msgid "SMARTS pattern to select" #~ msgstr "SMARTS mønster som skal vælges" #~ msgid "There is no current selection." #~ msgstr "Der er ikke truffet nogen valg." #~ msgid "Add Named Selection" #~ msgstr "Tilføj navngivet sektion." #~ msgid "Name cannot be empty." #~ msgstr "Navn kan ikke være tomt." #~ msgid "There is already a selection with this name." #~ msgstr "Der er allerede en valg med dette navn." #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Vælg atomer, bindinger, restprodukter..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL shaders..." #~ msgid "Intensity (arb. units)" #~ msgstr "Intensitet (arb. enheder)" #~ msgid "No intensities" #~ msgstr "Ingen intensiteter" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Vibrations data i det molekyle du har indlæst har ingen intensitetsdata. " #~ "Intensiteter er blevet sat til forvalgte værdier for visualisering." #~ msgid "Activity" #~ msgstr "Aktivitet" #~ msgid "X Axis" #~ msgstr "X-akse" #~ msgid "Y Axis" #~ msgstr "Y-akse" #~ msgid "&Infrared Spectra Settings" #~ msgstr "&Infrarød spektrum indstillinger" #~ msgid "&NMR Spectra Settings" #~ msgstr "&NMR spektrum indstillinger" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgid "&UV Settings" #~ msgstr "Indstillinger for &UV" #~ msgid "Dark" #~ msgstr "Mørk" #~ msgid "Publication" #~ msgstr "Udgivelse" #~ msgid "Handdrawn" #~ msgstr "Håndtegnet" #~ msgid "New Scheme" #~ msgstr "Nyt skema" #~ msgid "Confirm Scheme Removal" #~ msgstr "Bekræft skema fjernelse" #~ msgid "Really remove current scheme?" #~ msgstr "Er du sikker på at det nuværende skema skal fjernes?" #~ msgid "Change Scheme Name" #~ msgstr "Ændre skemanavn" #~ msgid "Enter new name for current scheme:" #~ msgstr "Indtast det nye navn for det nuværende skema:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Tabulator separerede værdier (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Tabulator separerede værdier" #~ msgid "Comma Separated Values" #~ msgstr "Komma separerede værdier" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Ukendt udvidelse: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR data (*.out)" #~ msgid "Data Format" #~ msgstr "Dataformat" #~ msgid "Load Spectral Data" #~ msgstr "Indlæs spektrum data:" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image File Format" #~ msgid "Windows Bitmap" #~ msgstr "Windows-bitmap" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "Gem spektrumbillede" #~ msgid "&Advanced <<" #~ msgstr "&Avanceret <<" #~ msgid "&Advanced >>" #~ msgstr "&Avanceret >>" #~ msgid "&Spectra..." #~ msgstr "&Spektrum" #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Visualiser spektraldata fra kvantekemiske beregninger" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Sorterer %1 vibrationer efter frekvens..." #~ msgid "Pause" #~ msgstr "Pause" #~ msgid "Super Cell Builder..." #~ msgstr "Super celle bygger..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Dette dokument er et isoleret molekyle. Du skal skabe en celleenhed." #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Ingenting" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Elektrontæthed" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Fejl - udefineret type" #~ msgid "Calculating VdW Cube" #~ msgstr "Udregner VdW Kube" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Udregner MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "GL widget blev ikke initializeret korrekt så video kan ikke skabes" #~ msgid "GL widget has no molecule" #~ msgstr "GL widget har ikke noget molekyle" #~ msgid "Building video " #~ msgstr "Bygger video " #~ msgid "Could not run mencoder." #~ msgstr "Kunne ikke afvikle mencoder." #~ msgid "Connect" #~ msgstr "Tilslut" #~ msgid "Disconnect" #~ msgstr "Afbryd" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Ugyldig OpenGL-sammenhæng.\n" #~ "Enten er noget i din OpenGL-opsætning fuldstændig i stykker (kan du køre " #~ "andre OpenGL-programmer?), eller også har du fundet en programfejl." #~ msgid "Debug Information" #~ msgstr "Fejlretningsinformation" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Vis størrelse: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Atomer: %L1" #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Filtype '%1' er ikke understøttet ved læsning" #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Filtype for filen '%1' er ikke understøttet ved læsning" #~ msgid "Could not open file '%1' for reading." #~ msgstr "Kunne ikke åbne fil '%1' for at læse fra den." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Kunne ikke åbne fil '%1' for at læse den." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Kunne ikke åbne fil '%1' for at at skrive til den." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "Kunne ikke gemme molekylefil - kunne ikke omdøbe den originale fil." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "Kunne ikke gemme molekylefil - kunne ikke omdøbe den nye fil." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "Kunne ikke gemme molekylefil - kunne ikke fjerne den gamle fil." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Filen %1 kunne ikke åbnes for at skrive til den." #~ msgid "Molecule %1" #~ msgstr "Molekyle %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Ukendt Python-motor" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: checking " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - scriptet har ikke defineret en \"Engine\"-klasse" #~ msgid " - no module" #~ msgstr " - intet modul" #~ msgid "Unknown Python Extension" #~ msgstr "Ukendt Python-udvidelse" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: checker " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - scriptet har ikke defineret en \"Extension\"-klasse" #~ msgid "Unknown Python Tool" #~ msgstr "Ukendt Python-værktøj" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: checking " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - scriptet har ikke defineret en \"Tool\"-klasse" #~ msgid "Tools" #~ msgstr "Værktøjer" #~ msgid "Align:" #~ msgstr "Ret ind:" #~ msgid "Everything" #~ msgstr "Det hele" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: kunne ikke sætte et kraftfelt op...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Steps per Update:" #~ msgstr "Trin per opdatering:" #~ msgid "Algorithm:" #~ msgstr "Algoritme:" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Molekylær dynamik (900K)" #~ msgid "Start" #~ msgstr "Start" #~ msgid "Fixed atoms are movable" #~ msgstr "Fikserede atomer kan flyttes" #~ msgid "Ignored atoms are movable" #~ msgstr "Ignorerede atomer kan flyttes" #~ msgid "AutoOpt Molecule" #~ msgstr "AutoOpt molekyle" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Automatisk optimerisering af molekylære geometri" #~ msgid "AutoOptimization Settings" #~ msgstr "AutoOptimization indstillinger" #~ msgid "Auto Rotation Tool" #~ msgstr "Værktøj til auto-rotation" #~ msgid "x rotation:" #~ msgstr "x-rotation:" #~ msgid "x rotation" #~ msgstr "x-rotation" #~ msgid "y rotation:" #~ msgstr "y-rotation:" #~ msgid "y rotation" #~ msgstr "y-rotation" #~ msgid "z rotation:" #~ msgstr "z-rotation:" #~ msgid "z rotation" #~ msgstr "z-rotation" #~ msgid "Automatic rotation of molecules" #~ msgstr "Automatisk rotation af molekyler" #~ msgid "AutoRotate Settings" #~ msgstr "Autoroter indstillinger" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Bindingslængde: %L1" #~ msgid " Show Angles" #~ msgstr " Vis vinkler" #~ msgid "Bond Centric Manipulate" #~ msgstr "Bindingscentreret manipuler" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulation af bindingslængder, vinkler og drejninger" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Afstand (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Afstand (3->4): %L1 %2" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Afstande:" #~ msgid "Draw Bond" #~ msgstr "Tegn binding" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Tegn og rediger atomer og bindinger" #~ msgid "Draw Settings" #~ msgstr "Tegningsindstillinger" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Flyt, roter og tilpas atomer og fragmenter" #~ msgid "Navigate Settings" #~ msgstr "Navigationsindstillinger" #~ msgid "Selection Mode:" #~ msgstr "Udvælgelsestilstand:" #~ msgid "Atom/Bond" #~ msgstr "Atom/binding" #~ msgid "Residue" #~ msgstr "Rest" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Vælg atomer, rester og molekyler" #~ msgid "Symbol" #~ msgstr "Symbol" #~ msgid "Bond Length" #~ msgstr "Bindingslængde" #~ msgid "Dihedral Angle" #~ msgstr "Hældningsvinkel" #~ msgid "Z Matrix Editor..." #~ msgstr "Z-matrix-editor..." #~ msgid "Bond Radius:" #~ msgstr "Bindingsradius:" #~ msgid "Shape" #~ msgstr "Form" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Løkke" #~ msgid "Dipole:" #~ msgstr "Dipol:" #~ msgid "Cut-off radius:" #~ msgstr "Afskæringsradius:" #~ msgid "Cut-off angle:" #~ msgstr "Afskæringsvinkel:" #~ msgid "Residue number" #~ msgstr "Restnummer" #~ msgid "Bond length" #~ msgstr "Bindingslængde" #~ msgid "Bond number" #~ msgstr "Bindingsnummer" #~ msgid "Bond order" #~ msgstr "Bindingsorden" #~ msgid "Radius:" #~ msgstr "Radius:" #~ msgid "Include Nitrogens" #~ msgstr "Inkludér kvælstoffer" #~ msgid "Orbital:" #~ msgstr "I kredsløb:" #~ msgid "Fill" #~ msgstr "Fyld" #~ msgid "Draw Box:" #~ msgstr "Tegn boks:" #~ msgid "Positive" #~ msgstr "Positiv" #~ msgid "Negative" #~ msgstr "Negativ" #~ msgid "Show Atoms" #~ msgstr "Vis atomer" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Løkke" #~ msgid "Add" #~ msgstr "Tilføj" #~ msgid "Save" #~ msgstr "Gem" #~ msgid "Load" #~ msgstr "Indlæs" #~ msgid "7 - Gaussian smearing" #~ msgstr "Gaussisk udtværing" #~ msgid "Gaussian Input" #~ msgstr "Gaussian input" #~ msgid "&Gaussian Width:" #~ msgstr "&Gauss-bredde:" #~ msgid "Gaussian &Width:" #~ msgstr "Gauss-&bredde:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "højere frekvens vibrationer vil vise hurtigere bevægelser" #~ msgid "Animation speed set by frequency" #~ msgstr "Animationshastighed sat af frekvens" #~ msgid "Display force &vectors" #~ msgstr "Vis kraft&vektorer" #~ msgid "Surface Type:" #~ msgstr "Overflade type:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Lav" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Medium" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Høj" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Meget høj" #~ msgid "Advanced..." #~ msgstr "Avanceret..." #~ msgid "Display visual cues" #~ msgstr "Vis visuelle tegn" #~ msgid "Python Settings" #~ msgstr "Python-indstillinger" #~ msgid "Z Matrix Editor" #~ msgstr "Z-matrix-editor" avogadrolibs-1.100.0/i18n/de.po000066400000000000000000013070321474375334400160600ustar00rootroot00000000000000# translation of _avogadro-de.po to # Alex , 2021. # Jörg S. , 2021. # J. Lavoie , 2021. # matterhorn103 , 2022, 2023. # Sebastian Ehlert , 2022. # "Jörg S." , 2023. # Norwid Behrnd , 2023, 2024. # Jörn Weigend , 2023. # LibreTranslate , 2024. # Weblate Translation Memory , 2024. # matterhorn103 <83813148+matterhorn103@users.noreply.github.com>, 2024. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: _avogadro-de\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-13 03:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: German \n" "Language: de\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Batch-Job Nr. %L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Keine Nachricht angegeben." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "Die Ausgabe von script --print-options muss ein JSON-Objekt auf oberster " "Ebene sein. Erhalten:\n" "%1" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "'Kein-String' Warnung zurückgegeben." #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "Das Element 'warnings' ist kein Array." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Die Referenzdatei '%1' ist nicht vorhanden." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "Fehler beim Füllen der Datei %1: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Datei '%1' ist schlecht formatiert. Fehlende Stringmitglieder 'contents' " "oder 'filePath'." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Fehlerhafter Dateieintrag: Dateiname / Inhalt fehlt oder ist keine " "Zeichenfolgen:\n" "%1" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Fehlerhafter Dateieintrag bei Index %1: Kein Objekt." #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "'files' Mitglied ist nicht ein Array." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "'files'-Mitglied fehlt." #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "Das Mitglied „mainFile“ verweist auf keinen Eintrag in „files“." #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "Das Mitglied 'mainFile' muss eine Zeichenkette sein." #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "Die Antwort muss ein JSON-Objekt auf der obersten Ebene sein." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Skriptausgabe:\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Analysefehler bei Offset %L1: '%2'\n" "Raw-JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Fehler beim Speichern der Moleküldarstellung als String: Unbekanntes " "Dateiformat: %1" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Fehler beim Speichern der Moleküldarstellung als String: %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Fehler beim Generieren des cjson-Objekts: Analysefehler bei Offset %1: %2\n" "Raw-JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Fehler Generator cjson-Objekt: Geparstes JSON ist kein Objekt:\n" "%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "Eingabegenerator (Fehler)" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "%1 Eingabegenerator" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Fortfahren" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Schließen" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Unbekannt" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "Die folgende Datei wurden geändert:\n" "\n" "%1\n" "\n" "Möchten Sie Ihre Änderungen überschreiben, um die neue Geometrie oder " "Joboptionen widerzuspiegeln?" msgstr[1] "" "Die folgenden Dateien wurden geändert:\n" "\n" "%1\n" "\n" "Möchten Sie Ihre Änderungen überschreiben, um die neue Geometrie oder " "Joboptionen widerzuspiegeln?" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Geänderte Eingabedateien überschreiben?" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "Bei der Vorbereitung der Eingabe sind Probleme aufgetreten:" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "Keine Eingabedateien zum Speichern vorhanden!" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "Eine Verbindung zu MoleQueue kann nicht hergestellt werden" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Eine Verbindung zum MoleQueue-Server kann nicht hergestellt werden. Bitte " "vergewissern Sie sich, dass er ausgeführt wird und versuchen Sie es erneut." #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "Berechnung %1 senden" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "Auftrag fehlgeschlagen" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "Der Auftrag wurde nicht erfolgreich abgeschlossen." #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "Das Skript gibt Warnungen zurück:\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "&Warnungen ausblenden" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "&Warnungen anzeigen" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "Ein Fehler ist aufgetreten:" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "Namen der Ausgabedatei wählen" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" "Interner Fehler: Text-Widget für den Dateinamen '%1' konnte nicht gefunden " "werden" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Ausgabe-Fehler" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Schreiben in Datei %1 fehlgeschlagen." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Ausgabeverzeichnis auswählen" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Verzeichnis existiert nicht!" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Verzeichnis kann nicht gelesen werden!" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: Datei wird überschrieben werden." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: Datei kann nicht geschrieben werden." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" "Die Eingabedateien können aufgrund eines unbekannten Fehlers nicht " "geschrieben werden." #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Die Eingabedateien können nicht geschrieben werden:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Die Eingabedateien können nicht geschrieben werden:\n" "\n" "%1\n" "\n" "Warnungen:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Warnung:\n" "\n" "%1\n" "\n" "Möchten Sie fortfahren?" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Eingabedateien schreiben" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "Aufgabe konfigurieren" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Aufgabe an MoleQueue übermitteln…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Frist für die Auftragsübermittlung abgelaufen" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Timeout: Avogadro wartet nicht mehr auf eine Antwort von MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Warten auf Abschluss der Aufgabe %1 \"%2\"…" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "Nicht mehr warten" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "Informationen über die erledigte Aufgabe werden abgerufen …" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro wartet nicht weiter auf Details abgeschlossener Aufgaben von " "MoleQueue." #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "Job-Abgabe fehlgeschlagen" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "Der Auftrag wurde von MoleQueue abgewiesen: %1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Kein Programm ausgewählt." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "Zielprogramm aus der Liste \"Warteschlange und Programm\" auswählen." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" "Der Client konnte die Aufgabe nicht erfolgreich bei MoleQueue einreichen." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Interner Fehler." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Die Programmauswahl konnte nicht gelöst werden. Das ist ein Bug." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Kein Molekül in BackgroundFileFormat gesetzt!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Kein Io::FileFormat BackgroundFileFormat gesetzt!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Es wurde kein Dateiname im BackgroundFileFormat festgelegt!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "Horizontal teilen" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "Vertikal teilen" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Wasserstoff" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Lithium" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Beryllium" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Kohlenstoff" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Stickstoff" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Sauerstoff" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Natrium" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnesium" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Aluminium" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silizium" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Phosphor" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Schwefel" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Chlor" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Kalium" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Kalzium" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Scandium" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titan" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadium" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Chrom" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Eisen" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nickel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Kupfer" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Zink" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsen" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selen" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Yttrium" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirkonium" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niob" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molybdän" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Technetium" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Ruthenium" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rhodium" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Silber" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Cadmium" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Zinn" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Tellur" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Jod" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Cäsium" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lanthan" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cer" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodym" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodym" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Promethium" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Thulium" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Wolfram" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Rhenium" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platin" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Gold" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Quecksilber" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Thallium" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Blei" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bismut" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astat" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Actinium" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Thorium" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protactinium" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uran" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Americium" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Californium" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Roentgenium" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Copernicium" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moscovium" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tenness" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "Durchsuchen" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "Datei auswählen:" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "Ausführbare Datei auswählen:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" "Ein für die ausgewählte Datei geeigneter Dateileser wurde nicht gefunden." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "Da eine Dateierweiterung fehlt konnte das Format nicht bestimmt werden. " "Wollen Sie jetzt eine hinzufügen?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "Für das ausgewählte Format wird kein geeigneter Schreiber gefunden." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "Leser" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "lesen" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "Schreiber" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "schreiben" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" "Mehrere %1 gefunden, die dieses Format %2 können. Welcher soll verwendet " "werden?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "Alle Dateien" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "Alle unterstützte Formate" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" "Das Lesen der Moleküldarstellung ist fehlgeschlagen: Unbekanntes " "Dateiformat: %1" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "%1 Nachricht" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Das Schreiben der Moleküldarstellung als ein String ist fehlgeschlagen: " "Unbekanntes Dateiformat: %1" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" "Fehler beim Schreiben der molekularen Darstellung als eine Zeichenkette: %1" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "'userOptions' fehlt." #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "Option '%1' bezieht sich auf kein Objekt." #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type' ist kein String für Option '%1'." #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "Option '%1' konnte nicht gefunden werden." #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "Registerkarte %1" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Titel" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "Prozessorkerne" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "Berechnungsart" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "Theorie" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Basis" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "Ladung" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "Multiplizität" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "Fehler: Wert muss Objekt für Schlüssel '%1' sein." #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Unbekannter Optionstyp '%1' von Option '%2'." #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "[Kein Molekül]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "Ebene %1" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Kugel-Stab" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Cartoon" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Nahe Kontakte" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Kristallgitter" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipolmoment" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Kraft" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "Beschriftungen" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Stäbchen" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "Polygonnetze" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "nicht-kovalent" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Symmetrieelemente" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Drahtgitter" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "Unbenannt" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "Neue Ansicht erstellen" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodensystem der Elemente" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Fehler beim Skript '%1 %2': Schreiben nach stdin schlug fehl (len=%3, " "schrieb %4 Bytes, QProcess-Fehler: %5)." #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "Warnung '%1'" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "Das Skript konnte nicht gestartet werden." #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "Das Skript ist abgestürzt." #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "Die Laufzeit des Skriptes ist abgelaufen (timeout)." #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "Lesefehler." #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "Schreibfehler." #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "Unbekannter Fehler." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Ebenen ändern" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Ebene entfernen" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Informationen der Ebenen entfernen" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Ebene hinzufügen" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Informationen zur Ebene hinzufügen" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "Ebene verändern" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Atom hinzufügen" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Atom entfernen" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "Atome löschen" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Wasserstoffatome anpassen" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Elemente ändern" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Element ändern" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "Atomhybridisierung ändern" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "Atomare Formalladung ändern" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "Atomfarbe ändern" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "Atomebene ändern" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Bindung hinzufügen" #: qtgui/rwmolecule.cpp:314 #, fuzzy msgid "Removed Bond" msgstr "Bindung entfernt" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "Bindungen entfernen" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "Bindungsordnungen setzen" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Bindungsordnung ändern" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "Bindungen aktualisieren" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "Bindung aktualisieren" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "Elementarzelle hinzufügen …" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "Elementarzelle entfernen" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "Elementarzelle bearbeiten" #: qtgui/rwmolecule.cpp:499 #, fuzzy msgid "Wrap Atoms to Cell" msgstr "Atome um Zelle wickeln" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "Zellvolumen skalieren" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "Superzelle erstellen" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "Niggli Reduktion" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "In die Standardorientierung drehen" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "Auf eine primitive Zelle reduzieren" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "auf eine konventionelle Zelle zurückführen" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "Elementarzelle symmetrisieren" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Elementarzelle füllen" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "Zelle auf die asymmetrische Einheit reduzieren" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "Atompositionen ändern" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "Atomposition ändern" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "Atombeschriftung ändern" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "Auswahl ändern" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Molekül verändern" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "Einstellungen" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "Skript %1 kann nicht geladen werden" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "Überprüfen von %1 Skripten im Pfad %2" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3DMol HTML Block." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Datei" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "&Exportieren" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Erstellen" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Ausrichten" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" "Moleküle ausrichten\n" "\n" "Linke Maustaste: \tBis zu zwei Atome auswählen.\n" "\tDas erste Atom ist am Ursprung zentriert.\n" "\tDas zweite Atom ist an der gewählten Achse ausgerichtet.\n" "Rechte Maustaste: \tAusrichtung zurücksetzen.\n" "Doppelklick: \tDas Atom am Ursprung ausrichten." #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Achse:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Am Ursprung ausrichten" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "An der Achse ausrichten" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "Atom am Ursprung zentrieren." #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" "Das Molekül drehen, um das Atom entlang der ausgewählten Achse auszurichten." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Werkzeug zum Ausrichten" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Moleküle an einer kartesischen Achse ausrichten" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "APBS starten…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Ausgabedatei öffnen…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "&Eingabe" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "Ausgabedatei öffnen" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX-Datei (*.dx)" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "I/O Fehler" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "Fehler beim Lesen der Strukturdatei (%1)." #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "OpenDX Fehler" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Fehler beim Lesen von OpenDX-Datei: %1" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "Fehler beim Lesen der OpenDX-Datei: kein Cube gefunden" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "PDB-Datei öffnen" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB-Dateien (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "PQR-Datei öffnen" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR-Dateien (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Fehler" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Fehler beim Ausführen von APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Bitte PDB-Datei angeben" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "APBS-Eingabedatei speichern" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "ABPS-Eingabe (*.in)" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "Erfolg" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Eingabedatei in '%1' geschrieben" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "Nach benutzerdefinierter Farbe…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "Nach Entfernung…" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "Nach Element" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "Nach Kette" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "Nach Partialladung…" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "Nach Protein-Sekundärstruktur" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "Nach Aminosäure" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "Nach Shapely-Schema" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "Heat" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "Hot" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "Gray" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "Spectral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "Coolwarm" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "Balance" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 #, fuzzy msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Blau-Dunkelrot" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "Farbschemata auf Atome und Reste anwenden." #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Ansicht" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "Atome färben" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "Reste färben" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "Farbschema auswählen" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 #, fuzzy msgid "Colormap:" msgstr "Farbschema:" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "Farben anwenden" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Atomgröße" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Bindungsgröße" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "Opazität" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Mehrfachbindungen anzeigen" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Wasserstoffatome anzeigen" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Atome als Kugeln und Bindungen als Zylinder wiedergeben." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Strg+7" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Bindungsorientierte Manipulation" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "%L1°" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "%L1 Å" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Bindungsorientiertes Bearbeitungswerkzeug." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Werkzeug, um die Molekülgeometrie durch Änderung von Bindungslängen und -" "winkeln zu bearbeiten." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Atome binden" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "Bindungsordnungen erkennen" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Bindungen entfernen" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Bindung einrichten…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "Ausgewählte Atome verbinden" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "Bindung" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "Entfernen von Bindungen aller oder von ausgewählten Atomen." #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "Bindungen zwischen allen oder ausgewählten Atome erstellen." #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "Bindungsordnungen erkennen." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Bindung" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "Rückgrat" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Spur" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Röhre" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Band" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Einfacher Cartoon" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Cartoon" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Seil" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Anzeige von Biomolekülbändern / Cartoons." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Zentroid hinzufügen" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Massenschwerpunkt hinzufügen" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Geometrischer Schwerpunkt" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" "Füge geometrische Schwerpunkte (Zentroide) und Massenschwerpunkte hinzu." #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "Maximaler Abstand:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Linienbreite:" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Nahe Kontakte zwischen Atomen wiedergeben." #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "Kontakt" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "Salzbrücke" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "Color Opacity Map bearbeiten…" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Erweiterungen" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "ColorOpacityMap" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "Skripte" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Fehler beim Lesen der Ergebnisdatei '%1':\n" "%2" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "%1 wird verarbeitet" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "Pfad zum Python-Interpreter angeben:" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Wähle den Python-Interpreter aus, der zum Ausführen externer Skripte " "verwendet werden soll.\n" "Die Änderung wird erst mit einem Neustart von Avogadro wirksam." #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "Befehlsskripte" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "Externe Skripte ausführen" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "Python Einstellungen …" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Python wird für viele Avogadro Features verwendet. Möchten Sie Python " "herunterladen?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "Andere …" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Kartesischer &Koordinaten-Editor …" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Koordinaten-Editor" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Atomkoordinaten mit einem Texteditor bearbeiten." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Änderungen überschreiben?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "Die Textdatei wurde geändert. Möchten Sie Ihre Änderungen verwerfen und zum " "gegenwärtigen Molekül zurückkehren?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Zu wenige Einträge in dieser Zeile." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Ungültiger Elementname." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Elementname." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Ungültiges Elementsymbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Elementsymbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "Ungültige Atombeschriftung." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Atomindex." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Ordnungszahl ungültig." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Ordungszahl." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Ungültige Koordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X-Koordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y-Koordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z-Koordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' Gitterkoordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' Gitterkoordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' Gitterkoordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Fehler beim Anwenden der Geometrie" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Geometrieangabe konnte nicht geparst werden. Markierte Fehler korrigieren " "und nochmal versuchen.\n" "\n" "(Tipp: Mauszeiger über roten Text halten, um eine Fehlerbeschreibung zu " "zeigen.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Atomkoordinaten bearbeiten" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Benutzerdefiniert" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ-Format (Symbole)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ-Format (Namen)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ-Format (Ordnungszahl)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Gitterkoordinaten (Symbole)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Gitterkoordinaten (Namen)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Gitterkoordinaten (Atomnummern)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "GAMESS-Format (Symbole)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "GAMESS-Format (Namen)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Turbomole-Format" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "Kopieren" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "InChI" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "Ausschneiden" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "Löschen" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "&Einfügen" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "&Bearbeiten" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "Kopieren als" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Ausgabeformat: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Lesefehler:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 #, fuzzy msgid "Error Pasting Molecule" msgstr "Einfügen von Molekül fehlgeschlagen" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Molekül konnte nicht eingefügt werden: Zwischenablage leer!" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "Fehler beim Lesen der Zwischenablage." #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Erkanntes Format: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Kopieren und einfügen" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2K-Eingabe" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "Eingabe für CP2K erstellen." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energie" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "Energie und Kräfte" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "Molekulardynamik" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "Geometrieoptimierung" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "Molekulare Mechanik" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 #, fuzzy msgid "NONE" msgstr "Keine" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "ATOMIC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "konjugierte Gradienten" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "Steilster Gradient" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "Die Eingabedatei wurde geändert. Möchten Sie Ihre Änderungen überschreiben, " "um die neue Geometrie oder Joboptionen abzubilden?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "Geänderte Eingabedatei überschreiben?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "CP2K-EIngabedatei speichern" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "CP2K Berechnung einreichen" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Kristall aus der Zwischenablage importieren …" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Elementarzelle umschalten" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Elementarzelle bearbeiten …" #: qtplugins/crystal/crystal.cpp:57 #, fuzzy msgid "&Wrap Atoms to Unit Cell" msgstr "Atome um Zelle &wickeln" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "In Standardorientierung drehen" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Zelle auf &Volumen skalieren …" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "Superzelle bauen …" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Zelle reduzieren (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "&Kristall" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "&Elementarzelle entfernen" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "&Elementarzelle hinzufügen" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "Kristall aus der Zwischenablage importieren" #: qtplugins/crystal/crystal.cpp:175 #, fuzzy #| msgid "&Keep atoms in unit cell" msgid "Wrap atoms into the unit cell." msgstr "Atome in Elementarzelle halten." #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "Einheitszelle auf Standardorientierung drehen." #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "Diese Elementarzelle wurde bereits reduziert." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Kristall" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Werkzeuge für Kristall-spezifische Bearbeitung und Analyse." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Linienfarbe:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Grenzen der Einheitszelle darstellen." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Text kann nicht ausgewertet werden" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Die Daten können nicht im angegebenen Format gelesen werden." #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "Keine Einheitszelle gegenwärtig." #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "Benutzerdefinierte Elemente neu zuordnen …" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "Benutzerdefinierte Elementtypen im aktuellen Molekül bearbeiten." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Benutzerdefinierte Elemente" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "Dipolmoment des Moleküls wiedergeben." #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Zeichnen" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Atom zeichnen" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "Bindungstyp ändern" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "Bindung entfernen" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Abstand:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "%1 %L2" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Bearbeitungswerkzeug" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "automatisch" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Einfach" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Zweifach" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Dreifach" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "Importieren" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "PDB abrufen" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "PDB-Molekül %1 kann nicht gelesen werden" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB Code" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Chemische Struktur zum Herunterladen." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Ungültiger PDB Code" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "Der PDB-Code muss genau 4 Zeichen lang sein." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" "Das erste Zeichen des PDB-Codes muss eine Ziffer (1-9, nicht aber 0) sein." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Herunterladen über das Netzwerk fehlgeschlagen" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Netzwerk-Zeitüberschreitung oder anderer Fehler." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Das angegebene Molekül konnte nicht gefunden werden: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Aus der PDB abrufen" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "PDB Modelle von der Protein Data Bank laden" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "Geometrie optimieren" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "Kräfte" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "Konfigurieren …" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "Ausgewählte Atome einfrieren" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "Berechnen" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "Keine Atome für die Optimierung bereitgestellt" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 Energie = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "Kraftfeld-Optimierung" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "Kraftfeld-Minimierung, einschließlich Skripte" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Automatische Erkennung (%1)" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "Universelles Kraftfeld (UFF)" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "Allgemeines Amber Kraftfeld (GAFF)" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "MMFF94 Kraftfeld" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "Fehler beim Abrufen von Metadaten für das Energieskript: %1" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "Fehler beim Parsen von Metadaten des Energieskriptes: %1" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" "Fehler beim Parsen der Metadaten des Energieskriptes: %1\n" "Das Ergebnis ist kein JSON-Objekt.\n" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESS Eingabe" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Eingabedatei für GAMESS vorbereiten." #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "Einzelpunkt" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Gleichgewichtsgeometrie" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Übergangszustand" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Frequenzen" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Kern-Potential" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Wasser" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Singulett" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Dublett" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Triplett" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Dikation" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Kation" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neutral" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "GAMESS Eingabedatei abspeichern" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "GAMESS Berechnung einreichen" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "Wasserstoffatome anpassen" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Wasserstoffatome hinzufügen" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Wasserstoffatome entfernen" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&entferne alle Wasserstoffatome" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "Wasserstoffatome dem aktuellen Molekül hinzufügen/entfernen." #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "Wasserstoffatome" #: qtplugins/hydrogens/hydrogens.h:24 #, fuzzy msgid "Hydrogens" msgstr "Wasserstoffatome" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Von PQR importieren" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Laden Sie ein Molekül von PQR herunter." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNA/RNA …" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "E&infügen" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "DNA/RNA einfügen …" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "Uracil" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "Thymin" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "Molekül einfügen …" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "3D-Molekül wird generiert …" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "DNA einfügen" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "DNA- / RNA-Fragmente über einen Dialog einfügen." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "&Molekül …" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Kristall …" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "Fehler beim Lesen von Datei (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "Kristall importieren" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Fragment einfügen" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Fragment einfügen" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Einfügen von Molekülfragmenten zum Aufbau größerer Moleküle." #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "Farbe:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "Abstand von der Mitte:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Keine" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "Eindeutige ID" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:184 #, fuzzy msgid "Element & Number" msgstr "Element & Nummer" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "Partialladung" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "Atombeschriftung:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "Name" #: qtplugins/label/label.cpp:236 msgid " & " msgstr " & " #: qtplugins/label/label.cpp:248 #, fuzzy msgid "Residue Label:" msgstr "Restname" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Strg+4" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "Beschriftungen bearbeiten" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "Beschriftung erzeugen" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS …" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPS-Eingabe" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Eingabe für LAMMPS erstellen." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Möchten Sie die Textvorschau aktualisieren? Alle Änderungen des Lammps Input-" "decks gehen verloren." #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 #, fuzzy msgid "Opacity:" msgstr "Intransparenz:" #: qtplugins/licorice/licorice.h:36 #, fuzzy msgid "Render atoms as licorice / sticks." msgstr "Atome als Lakritz/Stäbchen rendern." #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "SMILES …" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "InChI …" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 #, fuzzy msgid "No descriptors found!" msgstr "Keine Deskriptoren gefunden!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "Kein Zeilenformatleser gefunden!" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "Gewünschter Formatleser konnte nicht geladen werden." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Strg+6" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Bearbeiten" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Bearbeitungswerkzeug" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Strg+8" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Messen" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Diederwinkel:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Winkel:" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "Winkel:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Messwerkzeug" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "Polygonnetz darstellen." #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(ausstehend)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "unbekanntes Molekül" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "Eigenschaft" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "Molekülname" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "Molare Masse (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "Anzahl der Atome" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "Anzahl der Bindungen" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "Nettoladung" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "Netto Spinmultiplizität" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "Dipolmoment (Debye)" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "HOMO-Energie (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "LUMO-Energie (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "SOMO-Energie (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "Gesamtenergie (Hartree)" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "Nullpunktsenergie (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "Enthalpie (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "Entropie (kcal/Mol•K)" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "Freie Gibbs Energie (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "Punktgruppe" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "&Molekular …" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "Allgemeine Eigenschaften eines Moleküls ansehen." #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 #, fuzzy msgid "&Analysis" msgstr "&Analytisch" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Eigenschaften" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Molekulareigenschaften" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Molküleigenschaften" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 #, fuzzy #| msgid "&Export" msgid "Export CSV" msgstr "Exportieren CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 #, fuzzy #| msgid "WFN files (*.wfn);;All files (*.*)" msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV-Dateien (*.csv);;Alle Dateitypen (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "Datei kann nicht zum Schreiben geöffnet werden." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "Fehler beim Schreiben in die Datei." #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "Exportieren …" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigieren" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 #, fuzzy msgid "Rotate the scene along the x, y, or z axes." msgstr "Drehen Sie die Szene entlang der x-, y- oder z-Achse." #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "Darstellung verschieben." #: qtplugins/navigator/navigator.cpp:105 #, fuzzy msgid "Reverse Direction of Zoom on Scroll" msgstr "Richtung von Zoomen beim Scrollen umkehren" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" "Standard:\tNach unten scrollen zu verkleinern, nach oben scrollen zu " "vergrößern\n" "Umgekehrt:\tNach oben scrollen zu verkleinern, nach unten scrollen zu " "vergrößern" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Navigationswerkzeug" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "chemischer Name" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Netzwerk-Datenbanken" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "Winkeltoleranz:" #: qtplugins/noncovalent/noncovalent.h:34 #, fuzzy msgid "Render a few non-covalent interactions." msgstr "Einige nicht-kovalente Wechselwirkungen rendern." #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "Halogen" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "Chalkogen" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "Kraftfeld einrichten…" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "Konformerensuche …" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "Bindungen erkennen" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "Füge Wasserstoffatome für den pH-Wert hinzu…" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "Wasserstoffatome entfernen" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "Die Open Babel-Dateiformate sind nicht bereit, hinzugefügt werden." #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "Molekül wird von Open Babel geladen…" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Interner Fehler: OpenBabel::readMolecule wurde aufgerufen aber es steht zum " "Parsen keine obabel-Eingabe zur Verfügung!" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "Beim Ausführen von Open Babel ist ein Fehler aufgetreten (%1)." #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "Das Parsen der openbabel-Ausgabe ist fehlgeschlagen." #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Beim Abruf der Liste der unterstützten Kraftfelder trat ein Fehler auf. " "(unter Verwendung von '%1')." #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molekül ungültig. Geometrie kann nicht optimiert werden." #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "Geometrie kann mit Open Babel nicht optimiert werden." #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "Geometrie wird optimiert (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 #, fuzzy #| msgid "Generating MDL…" msgid "Generating…" msgstr "generiert…" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Bei der Erzeugung einer Open Babel-Darstellung des aktuellen Moleküls trat " "ein interner Fehler auf." #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "%1 wird gestartet…" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Schritt %1 von %2\n" "Aktuelle Energie: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "Molekül wird aktualisiert…" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Anzahl von Atomen in obabel Ausgabe (%1) stimmt nicht mit der im originalen " "Molekül (%2) überein." #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "Ungültiges Molekül. Konformere können nicht erzeugt werden." #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "Konformere können nicht mit Open Babel erzeugt werden." #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "Datei kann mit Open Babel nicht geöffnet werden." #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Ungültiges Molekül: Bindungen können nicht erkannt werden." #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "Bindungen werden erkannt (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "Aktualisierung des Moleküls von Open Babel …" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "Wasserstoffatome können mit Open Babel nicht hinzugefügt werden." #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "Wasserstoffatome hinzufügen (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "Open-Babel-Eingabe wird erstellt…" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "%1 wird ausgeführt…" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "Füge Wasserstoffatome für den pH-Wert hinzu" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "Mit Open Babel können keine Wasserstoffatome entfernt werden." #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "Wasserstoffatome entfernen (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Soll der Vorschautext aktualisiert werden? Alle Änderungen im " "Vorschauabschnitt des OpenMM-Eingabe werden dabei verworfen." #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "Referenzachsen" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Strg+9" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "Animationswerkzeug\t(%1)" #: qtplugins/playertool/playertool.cpp:74 #, fuzzy msgid "Play" msgstr "Spielen" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Stopp" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "Bildfrequenz:" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 #, fuzzy msgid "Frame:" msgstr "Frame:" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " von %0" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "Dynamische Bindung?" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "Video aufnehmen…" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "Video (*.mp4)" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "Bitmap-Grafik exportieren" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Video (*.mp4);;Video (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "Das GIF Dateiformat unterstützt keine Bildrate von mehr als 100 FPS." #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "Video-Datei (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "Datei %1 kann nicht gespeichert werden." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Trajektorien abspielen" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "pair distribution function zeichnen…" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "Fehlermeldung: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Einen Graphen einer Paarverteilungsfunktion berechnen und zeichnen." #: qtplugins/plotrmsd/plotrmsd.cpp:30 #, fuzzy msgid "Plot RMSD curve…" msgstr "Zeichne RMSD Diagramm…" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "Zeichne theoretisches XRD Diffraktogramm…" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "Fehler beim Berechnen eines XRD-Musters" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "Die Konvertierung des Moleküls in das CIF-Format ist gescheitert." #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Die von genXrdPattern gelesenen Daten scheinen beschädigt zu sein!" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" "Fehler: die ausführbare Datei von genXrdPattern kann nicht gefunden werden!" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "Fehler: " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" "Berechnung und Zeichnen eines theoretischen XRD-Musters mit ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "Aktualisieren" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "Version" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "Beschreibung" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "Fehler beim Herunterladen von Plugin-Daten." #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "Fehler beim Parsen von Plugin-Daten." #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "Dieses Plugin erfordert bestimmte Pakete zu installieren.\n" "Möchten Sie sie installieren?" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "Stets" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "Niemals" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "Gescheiterter Download von %1: Statuscode %2, %3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, fuzzy, qt-format msgid "Downloading %1 to %2\n" msgstr "%1 wird zu %2 herunterladen\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, fuzzy, qt-format msgid "Extracting %1 to %2\n" msgstr "%1 wird zu %2 extrahiert\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, fuzzy, qt-format msgid "Finished %1 files\n" msgstr "%1 Dateien fertig\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 #, fuzzy msgid "Extraction successful\n" msgstr "Extraktion erfolgreich\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, fuzzy, qt-format msgid "Error while extracting: %1" msgstr "Extraktionsfehler: %1" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "Plugins herunterladen…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Plugins herunterladen" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Plugins von GitHub-Repositories herunterladen." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY-Render…" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "Datei speichern" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Textdatei (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray Renderer …" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Textdatei (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Szene mit POV-Ray rendern." #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Valenz" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "Formalladung" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "%1 Partialladung" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "Farbe" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Typ" #: qtplugins/propertytables/propertymodel.cpp:531 #, fuzzy msgid "Start Atom" msgstr "Atom starten" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Endatom" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "Bindungsordnung" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Länge (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "Kette" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "Sekundärstruktur" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "Heterogen" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "Atom 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Ecke" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "Atom 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "Winkel (°)" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "Atom 2" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "Atom 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "Energie (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "Fragment anpassen" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "π-Helix" #: qtplugins/propertytables/propertymodel.cpp:935 #, fuzzy msgctxt "protein bend secondary structure" msgid "Bend" msgstr "Biegung" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "α-Helix" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "β-Faltblatt" #: qtplugins/propertytables/propertymodel.cpp:941 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 Helix" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "β-Brücke" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "Wendung" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Atomeigenschaften…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Bindungseigenschaften…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Winkeleigenschaften…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Torsionseigenschaften…" #: qtplugins/propertytables/propertytables.cpp:55 #, fuzzy msgid "Residue Properties…" msgstr "Resteneigenschaften…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "Konformereneigenschaften …" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" "Tabellen zur Darstellung und Änderung der Atom-, Bindungs-, Winkel- und " "Torsionseigenschaften." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "Eigenschaftentabellen" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Atomeigenschaften" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Bindungseigenschaften" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Winkeleigenschaften" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Torsionseigenschaften" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Konformereneigenschaften" #: qtplugins/propertytables/propertyview.cpp:59 #, fuzzy msgid "Residue Properties" msgstr "Resteneigenschaften" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 #, fuzzy msgid "Renders primitives using QTAIM properties" msgstr "Rendert primitive Strukturen mit Hilfe von QTAIM-Eigenschaften" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 #, fuzzy msgid "Atomic Charge…" msgstr "Atomladung…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Öffne WFN-Datei" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN-Dateien (*.wfn);;Alle Dateitypen (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM-Erweiterung" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "Eingabe für quantenchemische Methoden erstellen." #: qtplugins/resetview/resetview.cpp:38 #, fuzzy msgid "Center" msgstr "Mitte" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "Ansicht an den Achsen ausrichten" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "Ansicht an den Achsen ausrichten." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Ansicht zurücksetzen" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 #, fuzzy msgid "Script File Formats" msgstr "Skriptendateiformate" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "Dateileser/-schreiber aus externen Skripten laden." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Alle auswählen" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Nichts auswählen" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Auswahl umkehren" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Auswahl nach Element …" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Auswahl nach Atomindex …" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Auswahl nach Rest …" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "Wähle Gerüstatome……" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "Wähle Seitenkettenatome …" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "Wasser auswählen" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "Auswahl erweitern" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "Auswahl einschränken" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "Neue Ebene von Auswahl erstellen" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Auswahl ändern" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "Au&swahl" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Auswahl nach Element" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Atome nach Indiz auswählen" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Auszuwählende Atome:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Atom auswählen" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Atome nach Resten auswählen" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Auszuwählende Reste:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "Auswahl nach Rest" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "Auswahl" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Strg+5" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Auswahl" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Auswahlwerkzeug" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "Neue Ebene" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "Raumgruppe bestimmen…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "Symmetrisieren" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "Elementarzelle füllen…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "Auf asymmetrische Einheit reduzieren" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "Toleranz setzen …" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "Raumgruppe" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "Raumgruppe bestimmen" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Bestimmung der Raumgruppe schlug fehl.\n" "Möchten Sie es erneut mit anderer Toleranz versuchen?" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "Die momentan gewählte Toleranz beträgt: %1.\n" "Mit dieser Toleranz fortfahren?" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Die Symmetrisierung ist fehlgeschlagen.\n" "Überprüfen Sie Ihren Kristall und versuchen Sie es abermals mit einer " "anderen Toleranz." #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "Toleranz in Å auswählen:" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "International" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "Raumgruppe auswählen" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "Raumgruppe" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "Raumgruppenmerkmale für Kristalle." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "Spektren zeichnen …" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "Spektren" #: qtplugins/spectra/spectra.h:38 #, fuzzy #| msgid "Display spectra and vibrational modes." msgid "Display spectra plots." msgstr "Spektren anzeigen." #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "Infrarot" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "Elektronisch" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "Circulardichroismus" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "Zustandsdichte" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Hintergrundfarbe auswählen" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Vordergrundfarbe auswählen" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "Farbe des berechneten Spektrums wählen" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "Farbe des importierten Spektrums wählen" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "Schwingungsspektren" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "Wellenzahlen (cm-1)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "Transmission" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "Raman-Spektren" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "Intensität" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "NMR-Spektren" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "chemische Verschiebung (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "Elektronische Spektren" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Energie (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "CD-Spektren" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "Dichte" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Symmetrie" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Status" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "Lösungsmittel-zugänglich" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Molekülorbital" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Elektronendichte" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "Spindichte" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "Oberflächen erzeugen…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "van-der-Waals Oberfläche rendern." #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "Rendern der Lösungsmittel-zugänglichen molekularen Oberfläche." #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "Ein Molekülorbital rendern." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "Rendern der Elektronendichte." #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 #, fuzzy msgid "Calculating electron density" msgstr "Berechne Elektronendichte" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "Berechnung der Spindichte" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Molekularorbital %L1 wird berechnet" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "Film AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:867 #, fuzzy msgid "Export Movie" msgstr "Exportiere Video" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Video MP4 (*.mp4);;Video AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Oberflächen" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Oberfläche lesen und rendern." #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Render die Szene in eine .svg Datei." #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "Klasse" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "Symmetrie …" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Render Symmetrieelemente." #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "Gruppe %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Strg+3" #: qtplugins/templatetool/templatetool.cpp:82 #, fuzzy msgid "Template" msgstr "Template" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "Zwischenablage" #: qtplugins/templatetool/templatetool.cpp:404 #, fuzzy msgid "Insert Template" msgstr "Templat einfügen" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "Liganden einfügen" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 #, fuzzy msgid "Template tool" msgstr "Templatwerkzeug" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Einfache Darstellung von vdW-Sphären." #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "Schwingungsmoden …" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "Schwingungen" #: qtplugins/vibrations/vibrations.h:37 #, fuzzy #| msgid "Display spectra and vibrational modes." msgid "Display vibrational modes." msgstr "Schwingungsmoden anzeigen." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "VRML-Render…" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Textdatei (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Die Ansicht mit VRML wiedergeben." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Molekül als Drahtgittermodell wiedergeben." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "Bandstruktur berechnen …" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" "Die elektronische Bandstruktur kann nicht berechnet werden: keine " "Einheitszelle!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "Nur ein besonderer k-Punkt wurde in Yaehmop-Ausgang gefunden! Zwei oder mehr " "sind erforderlich!" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "Band %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "Fermi-Niveau" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "Yaehmop kann nicht gefunden werden" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "Fehler: %1 konnte nicht gestartet werden" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dialog" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) #, fuzzy msgid "Form" msgstr "Form" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Berechnungseinstellungen" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "Platzhaltertext …" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Zurücksetzen" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "Skript debuggen …" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "Berechnung absenden …" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Eingabe speichern …" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Warteschlange und Programm:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "Aktualisieren" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" "

      Anzahl Prozessorkerne, die für diesen Job reserviert " "werden sollen.

      " #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Prozessorkerne:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Nach Abschluss remote-Dateien löschen:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Job in MoleQueue ausblenden:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" "

      Eine System-Popup-Benachrichtigung anzeigen, wenn sich " "der Status des Jobs ändert.

      " #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Nach Abschluss Ausgabe öffnen:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Elemente umbenennen" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "Fragment einfügen …" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filter:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Namen oder Teil eines Namens eingeben, um nur zutreffende Dateien anzuzeigen." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Einfügen" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "3DMol HTML Snippet" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&In Zwischenablage kopieren" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Strg+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB-Datei:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "…" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Kraftfeld:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Vorhandene PQR-Datei laden" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR Datei:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Eingabedatei speichern" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "APBS ausführen" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Erfolg!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Strukturdatei laden" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Cube-Datei öffnen" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "Partialladungen" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "Ladungsmodell:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Distanztoleranz:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Minimale Distanz:" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "Oberflächendarstellung einschalten" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Wählen Sie die Python-Version aus, die für die Ausführung von Skripten " "verwendet wird.\n" "Damit die Änderungen wirksam werden, muss Avogadro muss neu gestartet werden." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Koordinateneditor" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Voreinstellung:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Distanzeinheit:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Ångström" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "Hilfe …" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Einfügen" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Zurücksetzen" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Anwenden" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2K-Eingabe" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Alles zurücksetzen" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Voreinstellungen" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "Datei speichern …" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Grundeinstellungen" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Titel:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Berechnen:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Methode:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Basissatz:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Funktional" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Parameter der Superzelle" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Superzellen-Optionen" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Wiederholung von A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Wiederholung von B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Wiederholung von C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "Einheitszelleneditor" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Zellmatrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Anwenden" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "zurückkehren" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Ausblenden" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Skaliere Volumen der Einheitszelle" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "neues &Volumen:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Skalierungsfaktor:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "jetziges Volumen:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Textbezeichnung" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Bindungsordnung:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Konvergenzkriterien" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " Einheiten" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " Schritte" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Optimierungsmethode" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Kraftfeld:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS Eingabe" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "In:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplizität:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Mit:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Ladung:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "Von PQR importieren …" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Suchen" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "Name" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "Synonym" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "Formel" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Formel:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Herunterladen" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Name:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Nukleinsäuren einfügen" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) #, fuzzy msgid "DNA/RNA Builder" msgstr "DNA/RNA-Erzeuger" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNS" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNS" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Nukleinsäuren:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Cytosin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Sequenz:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "die Anzahl der Basenpaare pro Helixwindung" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "Andere" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Basen pro Windung:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Stränge:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Einfach" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Doppelt" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPS-Eingabe" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Einheiten" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "Real" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "Metall" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "Elektron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Wasser-Potential" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Atomstil" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "Winkel" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomar" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "Bindung" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "Ladung" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "Dipol" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "Ellipsoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "Zeile" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) #, fuzzy msgid "meso" msgstr "Mesomerie" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molekular" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "Kugel" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "Wellenpaket" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Geben Sie einen Namen für die Koordinationsdatei an." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperatur" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Wählen Sie die Anzahl Nosé-Hoover-Ketten des NVT-Ensembles." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "NH-Ketten" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Zeitschritt" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Name der während der Simulation zu schreibenden XYZ-Datei." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Anzahl der Dimensionen im System." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Abmessungen" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "fm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "Den Stil der Begrenzung in x-, y- und z-Richtung auswählen." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Begrenzung" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "einheitlich" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Ausgabe" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Ausgabeintervall" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Einzeilig" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Mehrzeilig" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Benutze Form" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy #| msgid "Generating MDL…" msgid "Generate…" msgstr "generiert…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Deskriptor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Verschiebe um:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Rotiere um:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Ursprung" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "Zentrum des Moleküls" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "Zentrum der Auswahl" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X-Achse" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y-Achse" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z-Achse" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Konformerensuche" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Methode" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Number of conformers:" msgstr "Anzahl der Konformeren:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) #, fuzzy msgid "Systematic rotor search" msgstr "Systematische Drehpunkt-Suche" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) #, fuzzy msgid "Random rotor search" msgstr "Zufällige Drehpunkt-Suche" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) #, fuzzy msgid "Weighted rotor search" msgstr "Gewichtete Drehpunkt-Suche" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Suche durch genetischen Algorithmus" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Optionen für genetischen Algorithmus" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy #| msgid "Children" msgid "Children:" msgstr "Kinder:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Mutability" msgid "Mutability:" msgstr "Austauschbarkeit:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) #, fuzzy #| msgid "Scoring method" msgid "Scoring method:" msgstr "Methode der Auswahl:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "RMSD" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Optimierungsalgorithmus:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) #, fuzzy msgid "Steepest Descent" msgstr "steilster Abstieg" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "conjugierter Gradient" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Einfach" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Newtonverfahren" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "Å" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "Skript" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Eingabekoordinaten:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Eingabetopologie:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Kraftfeld:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Referenz" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Genauigkeit:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "einfach" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "gemischt" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "doppelt" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Ewaldtoleranz:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Einschränkungen:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "Wasserstoffbrückenbindungen" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #, fuzzy msgid "False" msgstr "Falsch" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr " nm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "Zeitschritt:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr " fs" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Fehlergrenze:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Kollisionsfrequenz:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "/ps" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Temperatur:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Druck:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr " atm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Minimieren?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Schrittindex" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Zeit" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Fortschritt" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "potentielle Energie" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "kinetische Energie" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Gesamtenergie" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "Volumen" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "maximaler Radius:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Peakbreite:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Wellenlänge:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" "

      Die Wellenlänge der Röntgenstrahlung in Ångström.

      Default: 1.50560 Å

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" "

      Die Anzahl der zu berechnenden 2theta Datenpunkte.

      Voreinstellung: 1000

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "Max 2*theta:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) #, fuzzy msgid "Download Selected" msgstr "Ausgewählte herunterladen" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) #, fuzzy msgid "Critical Point Radius:" msgstr "Radius des kritischen Punkts:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Radius des Bindungspfads:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Kovalent" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Konstante Größe" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) #, fuzzy #| msgid "Spectra and Vibrations" msgid "Spectra Visualization" msgstr "Spektrenvisualisierung" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy #| msgid "&Scaling Factor:" msgid "Scale Factor:" msgstr "Skalierungsfaktor:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) #, fuzzy #| msgid "Minimum:" msgid "X-Axis Minimum:" msgstr "X-Achse Minimum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) #, fuzzy #| msgid "Minimum:" msgid "Y-Axis Minimum:" msgstr "Y-Achse Minimum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "Peakbreite:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) #, fuzzy #| msgid "Threshold:" msgid "Peak Threshold:" msgstr "Schwellwert:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Aussehen" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Anzeigen" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "Importiert TSVs von experimentellen Spektren." #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Importieren …" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Farbe festlegen …" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Importierte Spektren:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Exportieren …" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Hintergrund:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "Berechnete Spektren:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "Schriftgröße:" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Daten exportieren" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Schließen" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "Optionen …" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Kontrollen:\n" "doppelter Linksklick: voreingestellte Achsengrenze wiederherstellen" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "Daten &laden …" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Qualität: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Sehr niedrig" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Niedrig" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Mittel" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Hoch" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Sehr hoch" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Oberflächen erzeugen" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Oberfläche:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alpha" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Farbe nach:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "Elektrostatisches Potential" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Auflösung:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Isoflächenwert:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) #, fuzzy msgid "Smoothing:" msgstr "Glätten:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Licht" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "stark" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Berechnen" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekül" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "symmetrieequivalente Atome:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Symmetrie einfrieren" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operationen" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Symmetrieelemente:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Subgruppen" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Subgruppen:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Toleranz:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Eng" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normal" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Locker" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Sehr locker" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Symmetrie erkennen" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "Zentren" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "Formalladung:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "0" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "+1" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "+2" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "+3" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "+4" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "+5" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "+6" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "+7" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "Koordination:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: oktahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: trigonal planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: tetrahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: quadratisch planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: trigonal bipyrimidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: quadratisch pyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: trigonal prismatisch" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: pentagonal bipyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: quadratisch antiprismatisch" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "Liganden" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "Typ:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "Monodentat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "Bidentat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "Tridentat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "Tetradentat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "Hexadentat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "haptisch" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "Von der Zwischenablage" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "Ligand:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Gruppen" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "Gruppe:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Schwingungsmodi" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitude:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "Starte die Animation" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "Stoppe die Animation" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Yaehmop Band" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) #, fuzzy msgid "Min y: " msgstr "Min y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) #, fuzzy msgid "Max y: " msgstr "Max y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "

      Das Fermi Niveau

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" "

      Das y-Interval im Diagramm beschränken?

      Default: " "off

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "y-Umfang begrenzen?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Anzahl von Dimensionen:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Alexander Minges,Erik Hahn,Geoff Hutchison," "HUWagner,Hans Christof,Keruskerfuerst,Photon,Steve Markgraf,dlonie,kuede," "mogli,soc, ,Launchpad Contributions:,Alexander Minges,Erik Hahn,Geoff " "Hutchison,HUWagner,Hans Christof,Keruskerfuerst,Photon,Steve Markgraf,dlonie," "kuede,mogli,soc, ,Launchpad Contributions:,Avogadro Team,jochenheil,kuede, ," "Launchpad Contributions:,Avogadro Team,Geoff Hutchison,Keruskerfuerst," "carsten,jochenheil,kuede,soc, ,Launchpad Contributions:,Alexander Hausmann," "Alexander Minges,Avogadro Team,Geoff Hutchison,Keruskerfuerst,MartinK," "carsten,jochenheil,kuede,soc,ucn|, ,Launchpad Contributions:,Alexander " "Hausmann,Alexander Minges,Avogadro Team,Eduard Gotwig,Geoff Hutchison," "Keruskerfuerst,MartinK,carsten,jochenheil,kuede,soc,ucn|, ,Launchpad " "Contributions:,Alexander Hausmann,Alexander Minges,Avogadro Team,Eduard " "Gotwig,Geoff Hutchison,Keruskerfuerst,MartinK,Simon Janich,carsten," "jochenheil,kuede,soc,ucn|, ,Launchpad Contributions:,Alexander Hausmann," "Alexander Minges,Avogadro Team,Eduard Gotwig,Geoff Hutchison,Keruskerfuerst," "MartinK,Matthias Mailänder,Simon Janich,carsten,jochenheil,kuede,soc," "spaceflower,ucn|, ,Launchpad Contributions:,.lu,Alexander Hausmann,Alexander " "Minges,Avogadro Team,Eduard Gotwig,Florian Selent,Geoff Hutchison,Jens " "Maucher,Keruskerfuerst,MartinK,Matthias Mailänder,Simon Janich,carsten," "jochenheil,kuede,soc,spaceflower,ucn|, ,Launchpad Contributions:,.lu," "Alexander Hausmann,Alexander Minges,Avogadro Team,Eduard Gotwig,Florian " "Selent,Geoff Hutchison,Jens Maucher,Keruskerfuerst,MartinK,Matthias " "Mailänder,Michael Schwarz,Simon Janich,carsten,jochenheil,kuede,soc," "spaceflower,ucn|, ,Launchpad Contributions:,.lu,Alexander Hausmann,Alexander " "Minges,Avogadro Team,Eduard Gotwig,Florian Selent,Geoff Hutchison,Jens " "Maucher,Keruskerfuerst,MartinK,Matthias Mailänder,Michael Schwarz,Simon " "Janich,carsten,jochenheil,kuede,soc,spaceflower,ucn|, ,Launchpad " "Contributions:,.lu,Alexander Hausmann,Alexander Minges,Avogadro Team,Daniel " "Schury,Daniel Winzen,David Lauenstein,Dennis Baudys,Eduard Gotwig,Florian " "Selent,Friedrich Herbst,Geoff Hutchison,Hendrik Knackstedt,Jan Sonntag,Jens " "Maucher,Keruskerfuerst,MartinK,Matthias Mailänder,Maximilian Mühlbauer," "Michael Schwarz,Niklas,Phillip Sz,Salesome,Scott,Simon Janich,Tobias Bannert," "carsten,jochenheil,kuede,soc,spaceflower,ucn|, ,Launchpad Contributions:,.lu," "Alexander Hausmann,Alexander Minges,Avogadro Team,Daniel Schury,Daniel " "Winzen,David Lauenstein,Dennis Baudys,Eduard Gotwig,Florian Selent,Friedrich " "Herbst,Geoff Hutchison,Hendrik Knackstedt,Ivan Panchenko,Jan Sonntag,Jens " "Maucher,Keruskerfuerst,MartinK,Matthias Mailänder,Maximilian Mühlbauer," "Michael Schwarz,Niklas,Phillip Sz,Salesome,Scott,Simon Janich,Tobias Bannert," "carsten,jochenheil,kuede,soc,spaceflower,ucn|, ,Launchpad Contributions:,.lu," "Alexander Hausmann,Alexander Minges,Avogadro Team,Daniel Schury,Daniel " "Winzen,David Lauenstein,Dennis Baudys,Eduard Gotwig,Florian Selent,Friedrich " "Herbst,Geoff Hutchison,Hendrik Knackstedt,Ivan Panchenko,Jan Sonntag,Jens " "Maucher,Keruskerfuerst,MartinK,Matthias Mailänder,Maximilian Mühlbauer," "Michael Schwarz,Niklas,Phillip Sz,Salesome,Scott,Simon Janich,Tobias Bannert," "carsten,jochenheil,kuede,soc,spaceflower,ucn|" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,erik_hahn@gmx.de,,,,armin_mohring@web.de,michael.kogan@gmx.net," "steve@steve-m.de,loniedavid@gmail.com,,,soc@krg-nw.de,,,aleixosk@gmail.com,," "avogadro-devel@lists.sourceforge.net,d@winzen4.de,,,,,,,,armin_mohring@web." "de,,,,coolx67@gmx.at,,,,,,,,simon@ochsenreither.de,,,aleixosk@gmail.com,," "avogadro-devel@lists.sourceforge.net,,,,,,,,,armin_mohring@web.de,,,," "coolx67@gmx.at,,,,tobannert@gmail.com,,,,simon@ochsenreither.de" #~ msgid "eV" #~ msgstr "eV" #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "Partialladung" #, fuzzy #~| msgid "" #~| "Bond Centric Manipulation Tool\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view.\n" #~| "\n" #~| "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~| "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~| "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Werkzeug zum Bearbeitung von Bindungen\n" #~ "\n" #~ "Linke Maustaste: \t Drehen der Ansicht.\n" #~ "Mittlere Maustaste: \t Skalieren der Ansicht.\n" #~ "Rechte Maustaste: \t Verschieben der Ansicht.\n" #~ "Doppelklick: \t Zurücksetzen der Ansicht.\n" #~ "\n" #~ "Linksklick & Gleiten auf einer Bindung definiert die Arbeitsebene:\n" #~ "Linksklick & Verschieben eines gebundenen Atoms ändert den " #~ "Bindungswinkel.\n" #~ "Rechtsklick & Verschieben eines gebundenen Atoms ändert die Bindungslänge" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Zeichenwerkzeug\n" #~ "\n" #~ "Linke Maustaste:\tKlicken und ziehen um Atome und Bindungen zu erstellen\n" #~ "Rechte Maustaste:\tAtom löschen" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Messwerkzeuge\n" #~ "\n" #~ "Linke Maustaste:\tWähle bis zu vier Atome.\n" #~ "\tAbstände werden zwischen 1-2 und 2-3 gemessen\n" #~ "\tWinkel wird zwischen 1-3 mit 2 als Scheitelpunkt gemessen\n" #~ "\tDiederwinkel wird zwischen 1-2-3-4 gemessen\n" #~ "Rechte Maustaste:\tZurücksetzen der Messungen." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Navigationswerkzeug\n" #~ "\n" #~ "Linke Maustaste: \t Klicken und ziehen, um die Ansicht zu rotieren.\n" #~ "Mittlere Maustaste: Klicken und ziehen, um den Zoom zu verändern.\n" #~ "Rechte Maustaste: \t Klicken und ziehen, um die Ansicht zu bewegen.\n" #~ msgid "Animation Tool" #~ msgstr "Animationswerkzeug" #, fuzzy #~| msgid "" #~| "Selection Tool (F11)\n" #~| "\n" #~| "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~| "\tDrag to select a range of atoms\n" #~| "Right Mouse: \tClick outside the molecule to clear selection\n" #~| "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~| "Double-Click: \tSelect an entire fragment." #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Auswahlwerkzeug (F11)\n" #~ "\n" #~ "Linke Maustaste: \t Auswahl einzelner Atome, Substituenten und Fragmente\n" #~ "\t bei gedrückter Maustaste Auswahl von Atomgruppen\n" #~ "Rechte Maustaste: Klicken ausserhalb des Moleüls löscht die Auswahl\n" #~ "Benutze Strg um zwischen der Auswahl zu wechseln und Umschalttaste für " #~ "weitere Auswahl.\n" #~ "Doppelklick: \t Auswahl eines ganzen Fragmentes." #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "van-der-Waals (AO)" #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Manipulationswerkzeug\n" #~ "\n" #~ "Linke Maustaste: \tKlicken und ziehen, um Atome zu bewegen\n" #~ "Rechte Maustaste: \tKlicken und ziehen um ausgewählte Atome zu rotieren.\n" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "Einfache Darstellung von VdW-Sphären mit ambienter Verdeckung." #, fuzzy #~| msgid "Optimize Geometry" #~ msgid "Geometry" #~ msgstr "Geometrie" #~ msgid "Add Unit Cell" #~ msgstr "Elementarzelle hinzufügen" #~ msgid "By Atomic Index" #~ msgstr "Nach Atomindex" #~ msgid "By Distance" #~ msgstr "Nach Distanz" #~ msgid "Select Water…" #~ msgstr "Wasser auswählen…" #~ msgid "&Copy" #~ msgstr "&Kopieren" #~ msgid "Molecule Name:" #~ msgstr "Molekülname:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molare Masse (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Chemische Formel:" #~ msgid "Number of Atoms:" #~ msgstr "Anzahl von Atomen:" #~ msgid "Number of Bonds:" #~ msgstr "Anzahl von Bindungen:" #~ msgid "TODO" #~ msgstr "TODO" #, fuzzy #~| msgid "Line width:" #~ msgid "Line Size:" #~ msgstr "Linienbreite:" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "Optimierung" #~ msgid "In." #~ msgstr "In." #~ msgid ", " #~ msgstr ", " #~ msgid "ABPS Input (*.in)" #~ msgstr "ABPS-Eingabe (*.in)" #~ msgid "Set Python Path…" #~ msgstr "Pythonpfad angeben…" #~ msgid "Fragment…" #~ msgstr "Fragment …" #~ msgid "Functional Groups" #~ msgstr "funktionelle Gruppen" #~ msgid "Help..." #~ msgstr "Hilfe..." #~ msgid "Save File..." #~ msgstr "Datei speichern..." #~ msgid "Download Plugins..." #~ msgstr "Plugins herunterladen..." #~ msgid "Record Movie..." #~ msgstr "Video aufzeichnen …" #~ msgid "Other..." #~ msgstr "Anderes …" #~ msgid "Connection failed" #~ msgstr "Verbindung fehlgeschlagen" #, qt-format #~ msgid "The connection to %2:%3 failed: connection refused." #~ msgstr "Verbindung mit %2:%3 fehlgeschlagen: Verbindung wurde abgelehnt." #, qt-format #~ msgid "Connection failed with: %1" #~ msgstr "Verbindung mit %1 fehlgeschlagen" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*.%1" #~ msgid "Connection refused" #~ msgstr "Verbindung wurde abgelehnt" #, qt-format #~ msgid "Connection to %2:%3 succeeded!" #~ msgstr "Mit %2:%3 erfolgreich verbunden!" #~ msgid "Filename" #~ msgstr "Dateiname" #~ msgid "Formula" #~ msgstr "Formel" #~ msgid "InChIKey" #~ msgstr "InChIKey" #~ msgid "YAeHMOP Band Structure" #~ msgstr "YAeHMOP Bandstruktur" #, fuzzy #~ msgid "&Hostname:" #~ msgstr "&Hostname:" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navigieren" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navigieren" #~ msgid "File name:" #~ msgstr "Dateiname:" #~ msgid "OK" #~ msgstr "OK" #~ msgid "Files of type:" #~ msgstr "Dateien von Art:" #~ msgid "Cancel" #~ msgstr "Abbrechen" #~ msgid "Upload" #~ msgstr "Hochladen" #~ msgid "Image:" #~ msgstr "Bild:" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Elementbezeichnung" #~ msgid "All files (*);;" #~ msgstr "Alle Dateien (*);;" #, qt-format #~ msgid "Error: %1 crashed!" #~ msgstr "Fehler: %1 ist abgestürzt!" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Rhomboedrisch" #~ msgid "Layer" #~ msgstr "Schicht" #~ msgid "Insert Molecule..." #~ msgstr "Molekül einfügen..." #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Kein Molekülsatz" #~ msgid "Z Å)" #~ msgstr "Z (Å)" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK …" #, fuzzy #~ msgid "Crystal..." #~ msgstr "Kristall …" #~ msgid "SMILES..." #~ msgstr "SMILES …" #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Wasserstoffatome für pH-Wert hinzufügen …" #~ msgid "Atom Properties..." #~ msgstr "Atomeigenschaften …" #~ msgid "Bond Properties..." #~ msgstr "Bindungseigenschaften …" #~ msgid "Angle Properties..." #~ msgstr "Winkeleigenschaften …" #~ msgid "Torsion Properties..." #~ msgstr "Torsionseigenschaften …" #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Moleküleigenschaften …" #~ msgid "Create Surfaces..." #~ msgstr "Oberflächen erstellen …" #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Symmetrie" #~ msgid "Insert Fragment..." #~ msgstr "Fragment einfügen …" #~ msgid "Theory:" #~ msgstr "Theorie:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Entfernung (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Rotierbar" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Länge %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Winkel %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Winkel %1" #~ msgid "Angle" #~ msgstr "Winkel" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Torsion %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsion %1" #~ msgid "Torsion" #~ msgstr "Torsion" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energie (kJ/mol)" #~ msgid "Yes" #~ msgstr "Ja" #~ msgid "No" #~ msgstr "Nein" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Eingabe-Erzeuger …" #, fuzzy #~ msgid "Import" #~ msgstr "Importieren" #~ msgid "Insert SMILES" #~ msgstr "SMILES einfügen" #~ msgid "Insert SMILES fragment:" #~ msgstr "SMILES-Fragment einfügen:" #~ msgid "Insert Crystal" #~ msgstr "Kristall einfügen" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Molekulare Fragmente einfügen, um grössere Moleküle zu bauen" #~ msgid "E&xtensions" #~ msgstr "Erweiterungen" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "Geometrie &optimieren" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometrie-Optimierung" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Wasserstoffatome hinzufügen" #, fuzzy #~ msgid "Stopped" #~ msgstr "Stop" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Oberflächen" #~ msgid "Color by Index" #~ msgstr "Farbe nach Index" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Farbe nach Index (rot, orange, gelb, grün, blau, violett)." #~ msgid "Color by Partial Charge" #~ msgstr "Farbe nach Partialladung" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "Farbe nach atomarer Teilladung (blau = positiv, rot = negativ)." #~ msgid "Custom Color:" #~ msgstr "Benutzerdefinierte Farbe:" #~ msgid "Set custom colors for objects" #~ msgstr "Benutzerdefinierte Farben für Objekte festlegen" #~ msgid "Color by Distance" #~ msgstr "Farbe nach Abstand" #~ msgid "Color by distance from the first atom." #~ msgstr "Farbe nach Abstand vom ersten Atom." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Farbe nach Element (Kohlenstoff = grau, Sauerstoff = rot, …)" #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Farbe nach Rest (Aminosäurentyp, Hydrophobie, …)" #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS Muster:" #~ msgid "Highlight Color:" #~ msgstr "Farbe für Hervorhebungen:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Farbe nach SMARTS Muster" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "" #~ "Besonderheiten hervorheben, die mit einem SMARTS Muster übereinstimmen" #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Engines" #~ msgid "Axes" #~ msgstr "Achsen" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "x-, y- und z-Achsen am Ursprung zeichnen" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Zeichnet Grundgerüst mit Kugeln (Atome) und Stäben (Bindungen)" #~ msgid "Dipole" #~ msgstr "Dipol" #~ msgid "Hydrogen Bond" #~ msgstr "Wasserstoffbindung" #~ msgid "Renders hydrogen bonds" #~ msgstr "Wasserstoffbindungen anzeigen" #~ msgid "Select Atom Labels Color" #~ msgstr "Atombeschriftungs-Farbe auswählen" #~ msgid "Select Bond Labels Color" #~ msgstr "Bindungsbeschriftungs-Farbe auswählen" #~ msgid "Select Bond Labels Font" #~ msgstr "Bindungsbeschriftung-Schriftart auswählen" #~ msgid "Polygon" #~ msgstr "Polygon" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Zeichnet Atome als Tetraeder, Oktaeder oder andere Polygone" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Zeichnet das Proteinrückgrat als Band" #~ msgid "Ring" #~ msgstr "Ring" #~ msgid "Renders rings with colored planes" #~ msgstr "Zeichnet Ringe mit farbigen Ebenen" #~ msgid "Simple Wireframe" #~ msgstr "Einfaches Drahtgitter" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Zeichnet Bindungen als Drähte (Linien), ideal für grosse Moleküle" #~ msgid "Van der Waals Spheres" #~ msgstr "Van-der-Waals-Radien" #~ msgid "Stick" #~ msgstr "Stab" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Elektronendichte, Isofläche = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, Isofläche = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Zeichnet Bindungen als Drahtgitter (Linien), ideal für sehr grosse " #~ "(Bio)moleküle" #~ msgid "Trajectory files" #~ msgstr "Trajektoriendateien" #~ msgid "DL-POLY HISTORY files" #~ msgstr "DL-POLY HISTORY-Dateien" #~ msgid "Open Trajectory File" #~ msgstr "Trajektoriendatei öffnen" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr ".avi Erweiterung hinzufügen" #~ msgid "Animation..." #~ msgstr "Animation …" #~ msgid "Cannot read file format of file %1." #~ msgstr "Das Dateiformat der Datei %1 kann nicht gelesen werden." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Trajektorien-Dateien %1 konnte nicht gelesen werden." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Es muss ein gültiger Dateiname einer .avi-Datei angegeben werden" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "GL-Widget wurde nicht ordnungsgemäss initialisiert, um das Video zu " #~ "speichern" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Ungültiger Video-Dateiname. Muss vollständigen Verzeichnispfad enthalten" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Ungültiger Videodateiname. Ein vollständiger Pfad und Name inklusive " #~ "Endung .avi muss angegeben werden." #~ msgid "Could not determine format from filename: %1" #~ msgstr "Format nicht über Dateinamen bestimmt werden: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animiere Trajektorien, Reaktionen und Vibrationen" #~ msgid "Cartesian Editor" #~ msgstr "Kartesischer Koordinaten-Editor" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Keine Elementarzelle für das Molekül definiert – Gitterkoordinaten können " #~ "nicht benutzt werden." #~ msgid "Cartesian Editor..." #~ msgstr "Kartesischer Koordinaten-Editor …" #~ msgid "Cartesian editor" #~ msgstr "Kartesischer Koordinaten-Editor" #~ msgid "Number of atoms: %1" #~ msgstr "Anzahl der Atome: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Anzahl der rotierbaren Bindungen: %1" #~ msgid "Add constraint" #~ msgstr "Einschränkung hinzufügen" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Das Molekül muss aus mindestens einem Atom bestehen, um eine " #~ "Einschränkung hinzuzufügen" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Das Molekül muss aus mindestens zwei Atomen bestehen, um eine Bindungs-" #~ "Einschränkung hinzuzufügen" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Das Molekül muss aus mindestens drei Atomen bestehen, um eine Winkel-" #~ "Einschränkung hinzuzufügen" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Das Molekül muss aus mindestens vier Atomen bestehen, um eine Torsion-" #~ "Einschränkung hinzuzufügen" #~ msgid "&Crystallography" #~ msgstr "&Kristallografie" #~ msgid "&Reduce" #~ msgstr "&Vereinfachen" #~ msgid "&Length Unit" #~ msgstr "&Längeneinheit" #~ msgid "&Angle Unit" #~ msgstr "&Winkeleinheit" #~ msgid "Coordinate &Preservation" #~ msgstr "Koordinaten &Beibehalten" #~ msgid "&Matrix Display" #~ msgstr "&Matrixanzeige" #~ msgid "Hide &Editors" #~ msgstr "&Editoren verstecken" #~ msgid "Show &Editors" #~ msgstr "&Editoren anzeigen" #~ msgid "Hide &Property Display" #~ msgstr "&Eigenschaften verstecken" #~ msgid "Show &Property Display" #~ msgstr "&Eigenschaften anzeigen" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Gittertyp: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Raumgruppe: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Elementarzellenvolumen: %L1%2" #~ msgid "Undefined" #~ msgstr "Undefiniert" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triklin" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoklin" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Orthorhombisch" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonal" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Kubisch" #~ msgid "Paste Crystal" #~ msgstr "Kristall einfügen" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Die Niggli-Reduktion schlug fehl. Die Struktur des ursprünglichen Gitters " #~ "führt im Niggli-Algorhythmus zu keinem eindeutigen Resultat. Versuchen " #~ "Sie nun eine Lösung durch kleine Änderungen der Zellparameter (ca. 2 " #~ "Grössenordnungen kleiner als die Fehlerwerte)." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Zelle konnte nach 1.000 Iterationen des Reduktionsalgorithmuses nicht " #~ "reduziert werden. Breche ab." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "In Standard&orientierung drehen" #~ msgid "&Slab..." #~ msgstr "&Platte …" #~ msgid "Perceive Space&group..." #~ msgstr "Raum&gruppe erkennen …" #~ msgid "Set &Spacegroup..." #~ msgstr "&Raumgruppe festlegen …" #~ msgid "&Fill Unit Cell" #~ msgstr "Elementarzelle aus&füllen" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Die Elementarzelle mit der aktuellen Raumgruppe ausfüllen." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Zu &assymetrischer Einheit reduzieren" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "Entferne Atome in äquivalenten Positionen" #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Kristall symmetrisieren" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Zelle reduzieren (&Primitiv)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometer" #~ msgid "&Picometer" #~ msgstr "&Picometer" #~ msgid "&Degree" #~ msgstr "&Grad" #~ msgid "&Radian" #~ msgstr "&Bogenmaß" #~ msgid "Display &cartesian coordinates" #~ msgstr "&Kartesische Koordinaten anzeigen" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "&Kartesische Koordinaten währen Zellmodifikation beibehalten" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "&Gitterkoordinaten während Veränderung der Zelle beibehalten" #~ msgid "Display &cartesian matrix" #~ msgstr "&Kartesische Matrix anzeigen" #~ msgid "Display &fractional matrix" #~ msgstr "&Gittermatrix anzeigen" #~ msgid "Display as &row vectors" #~ msgstr "Als &Zeilenvektor anzeigen" #~ msgid "Display as &column vectors" #~ msgstr "Als &Spaltenvektor anzeigen" #~ msgid "&Crystal View Options..." #~ msgstr "&Kristall-Anzeigeoptionen …" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Diesem Dokument wurde keine Raumgruppe zugeordnetn.\n" #~ "\n" #~ "Möchten Sie jetzt eine Raumgruppe setzen?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Raumgruppe P1 erkannt – Für diese Raumgruppe kann nicht symmetrisiert " #~ "werden.\n" #~ "\n" #~ "Möchten Sie es erneut mit anderer Toleranz versuchen?" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Atome an Zelle anschmiegen" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Auf die Niggli-Zelle reduzieren" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Wähle Toleranz in aktuellen kartesischen Einheiten:" #~ msgid "Crystallography" #~ msgstr "Kristallographie" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Periodische Strukturen erstellen und analysieren." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "Die Eingabe liegt nicht in einem\n" #~ "der folgenden unterstützen Formaten vor:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "VASP-Format\n" #~ msgid "Bad Compostion" #~ msgstr "Schlechte Zusammenstellung" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "Die Identitätsfelder müssen die gleiche Anzahl an Raumtrennereinträgen " #~ "enthalten wie Zeile sechs des POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Kartesische Koordinaten" #~ msgid "Fractional Coordinates" #~ msgstr "Gitterkoordinaten" #~ msgid "Set Fractional Coordinates" #~ msgstr "Gitterkoordinaten festlegen" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Zellmatrix (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Elementarzellenmatrix festlegen" #~ msgid "Set Unit Cell Params" #~ msgstr "Elementarzellenparameter festlegen" #~ msgid "Working..." #~ msgstr "Wird bearbeitet …" #~ msgid "Build" #~ msgstr "Version" #~ msgid "Cut Slab From Crystal" #~ msgstr "Schneide vom Kristall eine Platte ab" #~ msgid "No GLWidget?" #~ msgstr "Kein GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Bitte wählen Sie ein oder mehrere Atome aus" #~ msgid "Trajectory..." #~ msgstr "Trajektorie …" #~ msgid "Open chemical file format" #~ msgstr "Öffne chemisches Dateiformat" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Chemische Datei (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Parameterdatei öffnen" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Chemische Datei (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importiere Trajektorie" #~ msgid "Import trajectory files" #~ msgstr "Importiere Trajektorien-Datei" #~ msgid "Calculate Energy" #~ msgstr "Berechne Energie" #~ msgid "Conformer Search..." #~ msgstr "Konformerensuche …" #~ msgid "Constraints..." #~ msgstr "Einschränkungen …" #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Kann die momentan ausgewählten Kraftfelder für dieses Molekül nicht " #~ "erstellen. Bitte zu UFF wechseln." #~ msgid "Geometric Optimization" #~ msgstr "Geometrie-Optimierung" #~ msgid "Systematic Rotor Search" #~ msgstr "Systematische Drehpunkt-Suche" #~ msgid "Random Rotor Search" #~ msgstr "Zufällige Drehpunkt-Suche" #~ msgid "Weighted Rotor Search" #~ msgstr "Gewichtete Drehpunkt-Suche" #~ msgid "Genetic Algorithm Search" #~ msgstr "Suche nach genetischem Algorythmus" #~ msgid "ForceField" #~ msgstr "Kraftfeld" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Moleküle optimieren und Konformeren mittels molekülmechanischer " #~ "Kraftfelder erzeugen" #~ msgid "&Vector Graphics..." #~ msgstr "&Vektorgrafiken …" #~ msgid "Common vector image formats" #~ msgstr "Allgemeine Vektorbilddateien" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Vektorgrafiken exportieren" #~ msgid "Change H to Methyl" #~ msgstr "Ersetze Wasserstoff durch Methyl" #~ msgid "H to Methyl" #~ msgstr "Wasserstoff zu Methyl" #~ msgid "H2Methyl" #~ msgstr "H-zu-Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Wandle Wasserstoffatome in Methylgruppen um" #~ msgid "Add or remove hydrogens" #~ msgstr "Hinzufügen oder entfernen von Wasserstoffatomen" #~ msgid "Insert DNA/RNA chains" #~ msgstr "DNA/RNA-Sequenzen einfügen" #~ msgid "Peptide..." #~ msgstr "Peptid …" #~ msgid "Insert oligopeptide sequences" #~ msgstr "Oligopeptidsequenz einfügen" #~ msgid "Invert Chirality" #~ msgstr "Chiralität umkehren" #~ msgid "InvertChiral" #~ msgstr "InvertChiral" #~ msgid "Invert chiral centers" #~ msgstr "Chiralitätszentren umkehren" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "Unbekannt" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Geschätztes Dipolmoment (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Standard-Moleküleigenschaften anzeigen" #~ msgid "Fetch by chemical name..." #~ msgstr "Nach chemischem Namen abrufen …" #~ msgid "Fetch from URL..." #~ msgstr "Von URL herunterladen …" #~ msgid "PDB Entry" #~ msgstr "PDB-Eintrag" #~ msgid "PDB entry to download." #~ msgstr "PDB Eintrag herunterladen" #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL des Moleküls zum Downloaden" #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Spezifiziertes Molekül konnte nicht geladen werden: %1" #~ msgid "Network Fetch" #~ msgstr "Von Netzwerk herunterladen" #~ msgid "Fetch molecule files over the network." #~ msgstr "Moleküldateien über das Netzwerk herunterladen." #~ msgid "Show Preview" #~ msgstr "Vorschau anzeigen" #~ msgid "Hide Preview" #~ msgstr "Vorschau ausblenden" #~ msgid "Intensities" #~ msgstr "Intensitäten" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Speichere mit POV-Ray gerendertes Bild" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Bilddateien (.*png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray …" #~ msgid "No valid filename was supplied." #~ msgstr "Es wurde kein gültiger Dateiname vorgeschlagen." #~ msgid "Does not compute." #~ msgstr "Wird nicht berechnet." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Sie haben kein direktes Rendern mittels POV-Ray und das Verwerfen der POV-" #~ "Ray-Datei angefragt. Es wird keine Ausgabe gespeichert. Sind Sie sicher, " #~ "dass Sie dies möchten?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Kann nicht in Datei %1 schreiben. Haben Sie die Rechte, an diese Stelle " #~ "zu schreiben?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray-Start fehlgeschlagen." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray-Start fehlgeschlagen. Möglicherweise ist der Pfad zur " #~ "ausführbaren Datei nicht korrekt." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Erzeuge POV-Ray-Dateien und rendere diese mittels des POV-Ray-" #~ "Kommandozeilenprogramms." #~ msgid "Conformer Properties..." #~ msgstr "Konformereneigenschaften …" #~ msgid "Python Terminal" #~ msgstr "Python-Terminal" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Interaktives Python-Skripte-Terminal" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Warnung des Abinit-Eingabestapel-Erzeugers" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Soll der Vorschautext aktualisiert werden? Alle Änderungen im " #~ "Vorschauabschnitt des Abinit-Eingabestapels werden dabei verworfen." #~ msgid "Abinit_Input_Deck" #~ msgstr "Abinit-Eingabestapel" #~ msgid "Abinit Running." #~ msgstr "Abinit läuft." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Abinit läuft bereits. Bitte waretn Sie, bis die Berechnungen " #~ "abgeschlossen sind." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit ist nicht installiert." #~ msgid "The abinit executable cannot be found." #~ msgstr "Die ausführbare Datei von Abinit kann nicht gefunden werden." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit startete nicht. Möglicherweise ist es nicht korrekt installiert." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit lief nicht korrekt durch. Möglicherweise ist es nicht korrekt " #~ "installiert." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Warnung des Dalton-Eingabestapel-Erzeugers" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Soll der Vorschautext aktualisiert werden? Alle Änderungen im " #~ "Vorschauabschnitt des Dalton-Eingabestapels werden dabei verworfen." #~ msgid "QM Matches" #~ msgstr "QM-Übereinstimmungen" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP-Auswahl …" #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM-Auswahl …" #~ msgid "Delete" #~ msgstr "Entfernen" #~ msgid "You must make a selection!" #~ msgstr "Bitte wählen sie aus!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES Konvertierung nicht verfügbar" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES Format-Konvertierung nicht verfügbar!" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Erstelle Eingabedateien für das GAMESS-Quantenchemie-Paket" #~ msgid "Advanced Settings Changed" #~ msgstr "Erweiterte Einstellungen geändert" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Erweiterte Einstellungen wurden geändert.\n" #~ "Verwerfen?" #~ msgid "Advanced Settings Reset" #~ msgstr "Erweiterte Einstellungen zurücksetzen" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Erweiterte Einstellungen zurücksetzen?\n" #~ "Alle Änderungen gehen dabei verloren!" #~ msgid "Basic Settings Reset" #~ msgstr "Grundeinstellungen zurücksetzen" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Grundeinstellungen zurücksetzen?Alle Änderungen gehen dabei verloren!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Warnung des GAMESS-UK-Eingabestapel-Erzeugers" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Soll der Vorschautext aktualisiert werden? Alle Änderungen im " #~ "Vorschauabschnitt des GAMESS-UK-Eingabestapels werden dabei verworfen." #~ msgid "GAMESS-UK Input Deck" #~ msgstr "GAMESS-UK-Eingabestapel" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Warnung des Gaußschen Eingabestapel-Erzeugers" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Soll der Vorschautext aktualisiert werden? Alle Änderungen im " #~ "Vorschauabschnitt des Gaußschen Eingabestapels werden dabei verworfen." #~ msgid "Gaussian Input Deck" #~ msgstr "Gaußscher Eingabestapel" #~ msgid "Gaussian Running." #~ msgstr "Gaus´sche Berechnungen laufen" #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian Rechnung läuft bereits. Warten Sie, bis die vorherige Berechnung " #~ "abgeschlossen ist." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian nicht installiert" #~ msgid "The G03 executable, cannot be found." #~ msgstr "Die ausführbare G03 Datei kann nicht gefunden werden." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 ist nicht gestartet" #~ msgid "Running Gaussian calculation..." #~ msgstr "Gaußsche Berechnung läuft …" #~ msgid "G03 Crashed." #~ msgstr "G03 abgestürzt." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian Rechnung wurde nicht korrekt ausgeführt. Vielleicht ist es nicht " #~ "korrekt installiert." #~ msgid "&Abinit..." #~ msgstr "&Abinit …" #~ msgid "&Dalton..." #~ msgstr "&Dalton …" #~ msgid "&Gaussian..." #~ msgstr "&Gaußsches …" #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO …" #~ msgid "&NWChem..." #~ msgstr "&NWChem …" #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem …" #~ msgid "&TeraChem..." #~ msgstr "&TeraChem …" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Warnung des Molpro-Eingabestapel-Erzeugers" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Soll der Vorschautext aktualisiert werden? Alle Änderungen im " #~ "Vorschauabschnitt des Molpro-Eingabestapels werden dabei verworfen." #~ msgid "Molpro Input Deck" #~ msgstr "Molpro-Eingabestapel" #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC-Eingabe-Warnung" #~ msgid "MOPAC Input Deck" #~ msgstr "MOPAC-Eingabestapel" #~ msgid "MOPAC Running." #~ msgstr "MOPAC läuft." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "MOPAC läuft bereits. Warten Sie bis die vorhergehende Berechnung beendet " #~ "ist." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC ist nicht installiert." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Die MOPAC-Ausführungsdatei wurde nicht gefunden." #~ msgid "MOPAC failed to start." #~ msgstr "MOPAC-Start fehlgeschlagen." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC hat nicht gestartet. Vielleicht wurde es nicht richtig installiert." #~ msgid "Running MOPAC calculation..." #~ msgstr "MOPAC-Berechnung läuft …" #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC abgestürzt." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC lief nicht richtig. Vielleicht wurde es nicht richtig installiert." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Warnung des NWChem-Eingabestapel-Erzeugers" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Soll der Vorschautext aktualisiert werden? Alle Änderungen im " #~ "Vorschauabschnitt des NWChem-Eingabestapels werden dabei verworfen." #~ msgid "NWChem Input Deck" #~ msgstr "NWChem-Eingabestapel" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Möchten Sie die Textvorschau aktualisieren? Alle Änderungen des Psi4 " #~ "Input-decks gehen verloren." #~ msgid "Psi4 Input Deck" #~ msgstr "Psi4 Input-deck" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Warnung des Q-Chem-Eingabestapel-Erzeugers" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Soll der Vorschautext aktualisiert werden? Alle Änderungen im " #~ "Vorschauabschnitt des Q-Chem-Eingabestapels werden dabei verworfen." #~ msgid "QChem Input Deck" #~ msgstr "QChem-Eingabestapel" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "Warnung des TeraChem-Eingabestapel-Erzeugers" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Soll der Vorschautext aktualisiert werden? Alle Änderungen im " #~ "Vorschauabschnitt des TeraChem-Eingabestapels werden dabei verworfen." #~ msgid "TeraChem Input Deck" #~ msgstr "TeraChem-Eingabestapel" #~ msgid "Select SMARTS..." #~ msgstr "SMARTS auswählen …" #~ msgid "Add Named Selection..." #~ msgstr "Benannte Auswahl hinzufügen …" #~ msgid "SMARTS Selection" #~ msgstr "SMARTS-Auswahl" #~ msgid "SMARTS pattern to select" #~ msgstr "SMARTS-Muster auswählen" #~ msgid "There is no current selection." #~ msgstr "Es gibt keine aktuelle Auswahl" #~ msgid "Add Named Selection" #~ msgstr "genannte Auswahl hinzufügen" #~ msgid "Name cannot be empty." #~ msgstr "Name kann nicht leer sein." #~ msgid "There is already a selection with this name." #~ msgstr "Es gibt bereist eine Auswahl mit diesem Namen." #~ msgid "Selections" #~ msgstr "Auswahl" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Atome, Bindungen, Reste auswählen …" #~ msgid "GLSL Shaders..." #~ msgstr "GLSL-Shader …" #~ msgid "Open a vertex shader source file" #~ msgstr "Öffne eine Vertex-Shader-Quelldatei" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Vertex-Shader-Dateien (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Öffne eine Fragment-Shader-Quelldatei." #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fragment-Shader-Datei (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Öffne eine Shader-Parameter-Datei" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Shader-Parameter-Dateien (\".params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL-Shader" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Lade und benutze OpenGL 2.0 GLSL-Shader" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensität (willkürliche Einheiten)" #~ msgid "Density of States (states/cell)" #~ msgstr "Zustandsdichte (Zustand/Zelle)" #~ msgid "Density of States (states/atom)" #~ msgstr "Zustandsdichte (Zustand/Atom)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Zustandsdichte (Zustand/Valenzelektron)" #~ msgid "Transmittance (%)" #~ msgstr "Transmittierung (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbierung (%)" #~ msgid "No intensities" #~ msgstr "Keine Intensitäten" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Die Vibrationsdaten in dem Molkül, welches Sie geladen haben, hat keine " #~ "Intensitätsdaten. Intensitäten wurden auf einen willkürlichen Wert für " #~ "die Visualisierung gesetzt." #~ msgid "Activity" #~ msgstr "Aktivität" #~ msgid "X Axis" #~ msgstr "X-Achse" #~ msgid "Y Axis" #~ msgstr "Y-Achse" #~ msgid "&Infrared Spectra Settings" #~ msgstr "&Infrarotspekten-Einstellungen" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "&NMR-Spektren-Einstellungen" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "&UV Settings" #~ msgstr "&UV-Einstellungen" #~ msgid "&CD Settings" #~ msgstr "&CD-Einstellungen" #~ msgid "&Raman Settings" #~ msgstr "&Raman-Einstellungen" #~ msgid "No data" #~ msgstr "Keine Daten" #~ msgid "Dark" #~ msgstr "Dunkel" #~ msgid "Publication" #~ msgstr "Veröffentlichung" #~ msgid "Handdrawn" #~ msgstr "Handgezeichnet" #~ msgid "New Scheme" #~ msgstr "Neues Schema" #~ msgid "Confirm Scheme Removal" #~ msgstr "entfernen des Schemas bestätigen" #~ msgid "Really remove current scheme?" #~ msgstr "Aktuelles Schema wirklich entfernen?" #~ msgid "Change Scheme Name" #~ msgstr "Ändere Name des Schemas" #~ msgid "Enter new name for current scheme:" #~ msgstr "Einen neuen Namen für das aktuelle Schema eingeben:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Tab-getrennte Werte (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Tab-getrennte Werte" #~ msgid "Comma Separated Values" #~ msgstr "Komma-getrennte Werte" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Spektren importieren" #~ msgid "Unknown extension: %1" #~ msgstr "Unbekannte Erweiterung: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR Daten (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomol IR Daten (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Turbomole UV-Daten (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Turbomole CD-Daten (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Datenformat" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format:" #~ msgid "Load Spectral Data" #~ msgstr "Spektraldaten laden" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Turbomole CD-Datei weist ungültige Formatierung auf : %1" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "markiertes Bild-Datei-Format" #~ msgid "Windows Bitmap" #~ msgstr "Windows Punktegrafik" #~ msgid "Portable Pixmap" #~ msgstr "austauschbare Pixelgrafik" #~ msgid "X11 Bitmap" #~ msgstr "X11 Punktegrafik" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixelgrafik" #~ msgid "Save Spectra Image" #~ msgstr "Spektralabbild speichern" #~ msgid "Image successfully written to %1" #~ msgstr "Abbild erfolgreich nach %1 geschrieben" #~ msgid "&Advanced <<" #~ msgstr "&Erweitert <<" #~ msgid "&Advanced >>" #~ msgstr "&Erweitert >>" #~ msgid "&Spectra..." #~ msgstr "&Spektren …" #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Spektraldaten von Quanten-Chemie-Berechnungen anzeigen" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Vibrationsanalyse" #~ msgid "No vibrational displacements exist." #~ msgstr "Es existiert keine Verschiebung durch Vibration." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Vibrationsmodi aus den Quantenchemieberechnungen visualisieren" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "%1 Vibrationen werden nach Frequenz sortiert …" #~ msgid "Pause" #~ msgstr "Pause" #~ msgid "Super Cell Builder..." #~ msgstr "Superzellen-Erzeugung …" #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Dieses Dokument ist momentan ein isoliertes Molekül. Sie müssen eine " #~ "Elementarzelle erzeugen." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Erzeuge und zeige kristallographische Superzellen" #~ msgid "Molecular Orbitals..." #~ msgstr "Molekülorbitale …" #~ msgid "Orbitals" #~ msgstr "Orbitale" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Nichts" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Elektronendichte" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Fehler - undefinierter Typ" #~ msgid "Calculating VdW Cube" #~ msgstr "Berechne VdW-Würfel" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Berechne MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "" #~ "Oberflächen mit elektrostatischem Potenzial werden noch nicht unterstützt." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Berechne Molekülorbitale und andere Oberflächen" #~ msgid "&Nanotube Builder..." #~ msgstr "Kohlenstoff&nanoröhren-Erzeugung …" #~ msgid "Nanotube Builder" #~ msgstr "Kohlenstoffnanoröhren-Erzeugung" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Ungültige Kohlenstoffnanoröhren-Spezifikation" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "Die gewünschte Kohlenstoffnanoröhre kann aus folgendem Grund nicht " #~ "erzeugt werden:\n" #~ "\n" #~ "Entweder »n« oder »m« muss größer als 1 sein." #~ msgid "Insert Nanotube" #~ msgstr "Kohlenstoffnanoröhre einfügen" #~ msgid "SWCNT Builder" #~ msgstr "SWCNT-Erzeugung" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Einwandige Kohlenstoffnanoröhren konstruieren." #~ msgid "Building..." #~ msgstr "Erstellung läuft …" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "Das GL-Widget wurde nicht ordnungsgemäss initialisiert, um ein Video " #~ "herzustellen." #~ msgid "GL widget has no molecule" #~ msgstr "Das GL-Widget besitzt kein Molekül" #~ msgid "Building video " #~ msgstr "Erstelle Video " #~ msgid "Could not run mencoder." #~ msgstr "mencoder konnte nicht ausgeführt werden." #~ msgid "Set Aspect Ratio" #~ msgstr "Seitenverhätnis einstellen" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Die aktuelle Avogadroanischt ist %1x%2 Pixel gross und besitzt daher ein " #~ "Anzeigeverhältnis von %3.\n" #~ "Sie können diesen Wert beibehalten, falls Sie zum Beispiel POV-Ray " #~ "benutzen möchten\n" #~ "um ein BIld von %4x1000 Pixeln zu erzeugen oder Sie können einen anderen " #~ "positiven Werte eingeben,\n" #~ "zum Beispiel 1 falls Sie mit POV-Ray ein quadratisches Bild, wie 1000 x " #~ "1000 Pixel, erzeugen möchten." #~ msgid "Connect" #~ msgstr "Verbinden" #~ msgid "Disconnect" #~ msgstr "Trennen" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Wii-Tracking" #~ msgid "Track motion using Wii remotes" #~ msgstr "Verfolge Bewegung mittels Wii-Fernbedienungen" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Ungültige OpenGL-Umgebung.\n" #~ "Entweder ist Ihre gesamte OpenGL-Installation fehlerhaft (können Sie " #~ "irgend eine OpenGL Anwendung ausführen?), oder Sie haben einen " #~ "Programmfehler gefunden." #~ msgid "Debug Information" #~ msgstr "Debug-Informationen" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Neue Größe %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "Modellansicht, Reihe 1: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "Modellansicht, Reihe 2: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "Modellansicht, Reihe 3: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "Modellansicht, Reihe 4: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Atome: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: Index %1 außerhalb des Bereichs" #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Dateityp '%1' wird zum Lesen nicht unterstützt" #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Dateityp für die Datei '%1' wird für das Lesen nicht unterstützt" #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Lesen des Moleküls mit Index %1 von der Datei '%2' fehlgeschlagen" #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "Molekül ersetzten: Index %1 außerhalb des Bereichs" #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Dateityp '%1' wird für das Schreiben nicht unterstützt" #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Dateityp für Datei '%1' wird fürs Schreiben nicht unterstützt" #~ msgid "Could not open file '%1' for reading." #~ msgstr "Kann Datei '%1' zum Lesen nicht öffnen" #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Ersetzen des Moleküls mit Index %1 in Datei '%2' ist fehlgeschlagen" #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Datei %1 kann fürs Schreiben nicht geöffnet werden" #~ msgid "File %1 can not be opened for writing." #~ msgstr "Datei %1 kann fürs Schreiben nicht geöffnet werden." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Speichern der Moleküldatei gescheitert – Originaldatei konnte nicht " #~ "umbenannt werden." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Speichern der Moleküldatei gescheitert – neue Datei konnte nicht " #~ "umbenannt werden." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Speichern der Moleküldatei gescheitert – alte Datei konnte nicht gelöscht " #~ "werden." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Das Speichern eines Moleküls in Datei '%1' ist fehlgeschlagen. Eine " #~ "Funktion von OpenBabel war fehlerhaft." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Datei %1 kann fürs Lesen nicht geöffnet werden" #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Schreiben der Konformeren in die Datei »%1« gescheitert." #~ msgid "Molecule %1" #~ msgstr "Molekül %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Unbekannte Python-Engine" #~ msgid "N/A" #~ msgstr "N/A" #~ msgid "PythonEngine: checking " #~ msgstr "Python-Engine: Prüfe " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - Das Skript hat keine 'Engine'-Klasse definiert" #~ msgid " - no module" #~ msgstr " - kein Modul" #~ msgid "Unknown Python Extension" #~ msgstr "Unbekannte Python-Erweiterung" #~ msgid "PythonExtension: checking " #~ msgstr "Python-Erweiterung: Prüfe " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - Das Skript hat keine 'Erweiterungs'-Klasse definiert." #~ msgid "Unknown Python Tool" #~ msgstr "Unbekanntes Python-Werkzeug" #~ msgid "PythonTool: checking " #~ msgstr "Python-Werkzeug: Prüfe " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - Das Skript hat keine 'Werkzeug'-Klasse definiert" #~ msgid "Tools" #~ msgstr "Werkzeuge" #~ msgid "Align:" #~ msgstr "Ausrichten:" #~ msgid "Everything" #~ msgstr "Alles" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Autooptimierungs-Werkzeug\n" #~ "\n" #~ "Steuerung durch Klicken auf freie Fläche.\n" #~ "Linke Maustaste: \t Rotieren\n" #~ "Mittlere Maustaste: \t Skalieren\n" #~ "Rechte Maustaste: \t Verschieben\n" #~ "Doppelklick: \t Zurücksetzen\n" #~ "\n" #~ "Während des Arbeitens:\n" #~ "Linke Maustaste: \t Markiere und verschiebe einzelne Atome." #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Kraftfeld konnte nicht eingerichtet werden …" #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "Automatische Optimierung: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Num-Grenzen: %1" #~ msgid "Steps per Update:" #~ msgstr "Schritte pro Aktualisierung:" #~ msgid "Algorithm:" #~ msgstr "Algorithmus:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Moleküldynamik (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Moleküldynamik (900K)" #~ msgid "Start" #~ msgstr "Start" #~ msgid "Fixed atoms are movable" #~ msgstr "Gesperrte Atome sind beweglich" #~ msgid "Ignored atoms are movable" #~ msgstr "Ignorierte Atome sind beweglich" #~ msgid "AutoOpt Molecule" #~ msgstr "AutoOpt-Molekül" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Automatische Optimierung der Molekülgeometrie" #~ msgid "AutoOptimization Settings" #~ msgstr "Einstellungen: Automatisches Optimieren" #~ msgid "Auto Rotation Tool" #~ msgstr "Automatisches Rotieren" #~ msgid "x rotation:" #~ msgstr "Rotation um x-Achse:" #~ msgid "x rotation" #~ msgstr "Rotation um x-Achse" #~ msgid "y rotation:" #~ msgstr "Rotation um y-Achse:" #~ msgid "y rotation" #~ msgstr "Rotation um y-Achse" #~ msgid "z rotation:" #~ msgstr "Rotation um z-Achse:" #~ msgid "z rotation" #~ msgstr "Rotation um z-Achse" #~ msgid "Automatic rotation of molecules" #~ msgstr "Automatische Rotation von Molekülen" #~ msgid "AutoRotate Settings" #~ msgstr "Einstellungen: Rotation" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Bindungslänge: %L1" #~ msgid " Show Angles" #~ msgstr " Winkel anzeigen" #~ msgid "Snap-to Threshold: " #~ msgstr "Einrast-Schwelle: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Bindungsorientiertes Bearbeiten" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Bearbeitung von Bindungslängen, -winkeln und -torsionen." #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Einstellungen: Bindungsorientiertes Bearbeiten" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Entfernung (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Entfernung (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Dihedral Winkel: %1*" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Abstände:" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Messe Bindungslängen, -winkel und Dieder" #~ msgid "Draw Bond" #~ msgstr "Bindung zeichnen" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Zeichne und editiere Atome und Bindungen" #~ msgid "Draw Settings" #~ msgstr "Einstellungen: Zeichnen" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Atome und Fragmente verschieben, drehen und ausrichten" #~ msgid "Manipulate Settings" #~ msgstr "Einstellungen: Atomorientiertes Bearbeiten" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Um aktuelle Ansicht verschieben, drehen und zoomen" #~ msgid "Navigate Settings" #~ msgstr "Einstellungen: Navigation" #~ msgid "Selection Mode:" #~ msgstr "Auswahl-Modus:" #~ msgid "Atom/Bond" #~ msgstr "Atom/Bond" #~ msgid "Residue" #~ msgstr "Rest" #~ msgid "Add Center of Atoms" #~ msgstr "Atomzentrum hinzufügen" #~ msgid "Change color of the atom" #~ msgstr "Atom-Farbe verändern" #~ msgid "Change label of the atom" #~ msgstr "Beschriftung des Atoms ändern" #~ msgid "Change label of the bond" #~ msgstr "Beschriftung der Bindung ändern" #~ msgid "Change radius of the atom" #~ msgstr "Atomradius verändern" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Neuer Radius, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Atome, Reste und Moleküle auswählen" #~ msgid "Symbol" #~ msgstr "Symbol" #~ msgid "Bond Length" #~ msgstr "Bindungslänge" #~ msgid "Dihedral Angle" #~ msgstr "Dihedral Winkel" #~ msgid "Z Matrix Editor..." #~ msgstr "Z-Matrix-Editor …" #~ msgid "Z-Matrix" #~ msgstr "Z-Matrix" #~ msgid "Create/edit a z-matrix" #~ msgstr "Erzeugen/Editieren einer Z-Matrix" #~ msgid "Z-Matrix Settings" #~ msgstr "Z-Matrix Einstellungen" #~ msgid "Color residues by:" #~ msgstr "Färbe Reste ein nach:" #~ msgid "Hydrophobicity" #~ msgstr "Hydrophobie" #~ msgid "Axes:" #~ msgstr "Achsen:" #~ msgid "Cartesian Axes" #~ msgstr "Kartesisches Koordinatensystem" #~ msgid "Orthogonal Axes" #~ msgstr "Senkrechte Koordinatenachsen" #~ msgid "Axis 1:" #~ msgstr "Achse 1:" #~ msgid "Axis 2:" #~ msgstr "Achse 2:" #~ msgid "Axis 3:" #~ msgstr "Achse 3:" #~ msgid "Norm" #~ msgstr "Norm" #~ msgid "Preserve vector norms" #~ msgstr "Vektornorm erhalten" #~ msgid "Atom Radius:" #~ msgstr "Atomradius:" #~ msgid "Bond Radius:" #~ msgstr "Bindungsradius:" #~ msgid "Shape" #~ msgstr "Schatten" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Schleife" #~ msgid "Dipole:" #~ msgstr "Dipol:" #~ msgid "Custom Vector" #~ msgstr "Angepasster Vektor" #~ msgid "Custom:" #~ msgstr "Individuell:" #~ msgid "Width:" #~ msgstr "Strichdicke:" #~ msgid "Cut-off radius:" #~ msgstr "Cut-off-Radius:" #~ msgid "Cut-off angle:" #~ msgstr "Cut-off-Winkel:" #~ msgid "Rendering Engine:" #~ msgstr "Rendering-Engine" #~ msgid "TextRenderer" #~ msgstr "TextRenderer" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Text:" #~ msgid "Symbol & Number in Group" #~ msgstr "Symbul & Nummer in Gruppe" #~ msgid "Symbol & Atom number" #~ msgstr "Symbol & Atomnummer" #~ msgid "Partial charge" #~ msgstr "Partialladung" #~ msgid "Residue number" #~ msgstr "Restnummer" #~ msgid "Custom data" #~ msgstr "Verschiedene Daten" #~ msgid "Change Font" #~ msgstr "Schriftart ändern" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Textversatz" #~ msgid "Bond length" #~ msgstr "Bindungslänge" #~ msgid "Bond number" #~ msgstr "Bindungsnummer" #~ msgid "Bond order" #~ msgstr "Bindungsanzahl" #~ msgid "Lines" #~ msgstr "Linien" #~ msgid "Radius:" #~ msgstr "Radius:" #~ msgid "Include Nitrogens" #~ msgstr "Stickstoff miteinbeziehen" #~ msgid "VdW Opacity:" #~ msgstr "Van-der-Waals-Transparenz:" #~ msgid "Orbital:" #~ msgstr "Elektronenumlaufbahn:" #~ msgid "Render:" #~ msgstr "Rendere:" #~ msgid "Fill" #~ msgstr "Füllen" #~ msgid "Points" #~ msgstr "Punkte" #~ msgid "Draw Box:" #~ msgstr "Box zeichnen:" #~ msgid "Style:" #~ msgstr "Stil:" #~ msgid "Mapped Colors" #~ msgstr "abgebildete Farben" #~ msgid "Positive" #~ msgstr "Positiv" #~ msgid "Negative" #~ msgstr "Negativ" #~ msgid "Show Atoms" #~ msgstr "Atome anzeigen" #~ msgid "Animate Trajectory" #~ msgstr "Flugbahn animieren" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Schleife" #~ msgid "Save as .avi..." #~ msgstr "Speichern als .avi …" #~ msgid "Angstroms" #~ msgstr "Ångström" #~ msgid "Bohrs" #~ msgstr "Bohr" #~ msgid "Fractional" #~ msgstr "Gitter" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, nur Koordinaten" #~ msgid "GAMESS Input #2" #~ msgstr "GAMESS-Eingabe #2" #~ msgid "Priroda Input" #~ msgstr "Priroda-Eingabe" #~ msgid "Apply Changes" #~ msgstr "Änderungen übernehmen" #~ msgid "Cut All" #~ msgstr "Alle Ausschneiden" #~ msgid "Paste to the End" #~ msgstr "Am Ende einfügen" #~ msgid "(None)" #~ msgstr "(Keine)" #~ msgid "Sort by " #~ msgstr "Sortieren nach " #~ msgid "Number of atoms:" #~ msgstr "Anzahl der Atome:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Anzahl der rotierbaren Bindungen:" #~ msgid "Add Constraints" #~ msgstr "Einschränkungen hinzufügen" #~ msgid "Ignore Atom" #~ msgstr "Atom ignorieren" #~ msgid "Fix Atom" #~ msgstr "Atom fixieren" #~ msgid "Fix Atom X" #~ msgstr "Atom fixieren (x-Koordinate)" #~ msgid "Fix Atom Y" #~ msgstr "Atom fixieren (y-Koordinate)" #~ msgid "Fix Atom Z" #~ msgstr "Atom fixieren (z-Koordinate)" #~ msgid "Torsion angle" #~ msgstr "Torsionswinkel" #~ msgid "Add" #~ msgstr "Hinzufügen" #~ msgid "Save" #~ msgstr "Speichern" #~ msgid "Load" #~ msgstr "Laden" #~ msgid "Atomic &identites:" #~ msgstr "Atomische &Identitäten:" #~ msgid "Plane:" #~ msgstr "Ebene:" #~ msgid "&Miller Indices:" #~ msgstr "MIller-Indices" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Achtung: Nutze Miller-Indices ungleich Null" #~ msgid "Width (x)" #~ msgstr "Größe (x)" #~ msgid "Width (y)" #~ msgstr "Größe (y)" #~ msgid "Height (z)" #~ msgstr "Höhe (z)" #~ msgid "length" #~ msgstr "Länge" #~ msgid "cell repeats" #~ msgstr "Wiederholungen der Einheitszelle" #~ msgid "by arbitrary vector" #~ msgstr "per beliebigen Vektor" #~ msgid "selected atom to unit cell center" #~ msgstr "Zentriere ausgewähltes Atom auf der Einheitszelle." #~ msgid "Translation vector:" #~ msgstr "Translationsvektor:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "&Vektoreinheiten:" #~ msgid "Cartesian" #~ msgstr "Kartesisch" #~ msgid "&Translate" #~ msgstr "&Verschieben" #~ msgid "Crystal View Options" #~ msgstr "Kristall-Anzeigeoptionen" #~ msgid "Unit Cell Repeats:" #~ msgstr "Elementarzellenwiederholungen:" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Zeichnen der Einheitszelle(n)?" #~ msgid "One" #~ msgstr "Eins" #~ msgid "All" #~ msgstr "Alle" #~ msgid "Color..." #~ msgstr "Farbe ..." #~ msgid "View Along:" #~ msgstr "Ansicht entlang:" #~ msgid "Default View" #~ msgstr "Standard-Ansicht" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Millersche Indizes" #~ msgid "File Import..." #~ msgstr "Datei-Import …" #~ msgid "Attempt to perceive bonds?" #~ msgstr "Versuchen, Binddungen zu erkennen?" #~ msgid "Setup Force Field" #~ msgstr "Kraftfeld einrichten" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Anzahl der Schritte" #~ msgid "Algorithm" #~ msgstr "Algorithmus" #~ msgid "10e-" #~ msgstr "10e-" #~ msgid "Alanine" #~ msgstr "Alanine" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Arginine" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Asparagine" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "asparagische Säure" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Cysteine" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "glutenische Säure" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Glutamin" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Glyzin" #~ msgid "Gly" #~ msgstr "Gly" #~ msgid "Histidine" #~ msgstr "Histidin" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "Isoleuzin" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Valine" #~ msgstr "Valine" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyrosine" #~ msgstr "Tyrosin" #~ msgid "Tyr" #~ msgstr "Tyr" #~ msgid "Tryptophan" #~ msgstr "Tryptophan" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "Threonine" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "Serine" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Proline" #~ msgid "Phenylalanine" #~ msgstr "Phenylalanine" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "Methionine" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Lysine" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "Leucine" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "Sequenz (N0 nach C):" #~ msgid "Stereochemistry:" #~ msgstr "Stereo-Chemie" #~ msgid "L" #~ msgstr "L" #~ msgid "N Terminus:" #~ msgstr "N Terminus:" #~ msgid "C Terminus:" #~ msgstr "C Terminus:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Straight Chain" #~ msgstr "gerade Kette" #~ msgid "Alpha Helix" #~ msgstr "Alpha Helix" #~ msgid "Beta Sheet" #~ msgstr "Beta Blatt" #~ msgid "Pi Helix" #~ msgstr "Pi Helix" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "Psi:" #~ msgstr "Psi:" #~ msgid "Chain Number:" #~ msgstr "Ketten-Nummer" #~ msgid "The chain number for the new peptide" #~ msgstr "Die Kettennummer für das neue Peptid" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Anzahl der Residuen:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energie (kJ/mol)" #~ msgid "Dipole Moment (D):" #~ msgstr "Dipol-Moment (D)" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "diskrete Fouriertransformation" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Fortgeschritten" #~ msgid "Control" #~ msgstr "Steuerung" #~ msgid "SCF" #~ msgstr "wissenschaftlicher Lebensmittelausschuß" #~ msgid "Grid" #~ msgstr "Raster" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray-Export" #~ msgid "Select..." #~ msgstr "Auswählen …" #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Benutze Vollbildantialiasing" #~ msgid "Antialias" #~ msgstr "Antialias" #~ msgid "Set the background color to be transparent" #~ msgstr "Setze die Hintergrundfarbe auf transparent" #~ msgid "Alpha transparency" #~ msgstr "Alpha-Transparenz" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Rendere das Molekül mittels Kommandozeilen-POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Behalte die POV-Ray-Quellen nachdem das Rendern beendet wurde" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Behalte die POV-Ray-Quellen nach dem Rendern" #~ msgid "Path:" #~ msgstr "Pfad:" #~ msgid "Abinit Input" #~ msgstr "Abinit-Eingabe" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Kartesisch (Angstrom)" #~ msgid "Reduced" #~ msgstr "Reduziert" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Kräftetoleranz (Ha/bohr):" #~ msgid "Max lattice expansion:" #~ msgstr "Max. Gitterausweitung:" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "k-Punktverschiebung:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Anzahl der Bänder:" #~ msgid "# k-point shifts:" #~ msgstr "# k-Punktverschiebungen:" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Besetzungsschema:" #~ msgid "Wave Function norm" #~ msgstr "Wellenfunktion-Norm" #~ msgid "Relative Force" #~ msgstr "Relative Kraft" #~ msgid "1 - semiconducting" #~ msgstr "1 - Halbleitend" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi-Dirac" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - Kalt geglättet (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 - Gaußsche Unschärfe" #~ msgid "Smearing width (Ha):" #~ msgstr "Unschärfebreite (Ha):" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - Keine beweglichen Ionen " #~ msgid "1 - viscous damping" #~ msgstr "1 - Zähes dämpfen" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS mit Energie" #~ msgid "# Geometrical time steps:" #~ msgstr "# Geometrische Zeitschritte:" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Glättung der kinetischen Energie (Ha):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Berechnen …" #~ msgid "Dalton Input" #~ msgstr "Dalton-Eingabe" #~ msgid "Basics" #~ msgstr "Grundeinstellungen" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Fügt alles was Sie schreiben zu Ihrer Information in die oberste Zeile\n" #~ "der Eingabedatei ein." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Pople-Stil" #~ msgid "Jensen's polarization consistent" #~ msgstr "Polarisationskonsistent nach Jensen" #~ msgid "Dunning's correlation consistent" #~ msgstr "Korrelationskonsistent nach Dunning" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Kernkorrelationsfunktionen" #~ msgid "Diffuse functions" #~ msgstr "Diffusionsfunktionen" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Direkt" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Wenn möglich, parallel laufen lassen. Nur für SCF-Wellenfunktionen\n" #~ "und DFT-Berechnungen möglich. Dalton unterstützt in dieser\n" #~ "Version nur MPI und muss korrekt kompiliert und installiert sein.\n" #~ "Die Anzahl der Knoten wird mit der Option »-N #« beim Ausführen\n" #~ "des Skripts »dalton« festgelegt." #~ msgid "Parallel" #~ msgstr "Parallel" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Gitterangaben" #~ msgid "Partitioning Scheme:" #~ msgstr "Partitionierugnsschema" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (original)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Gitterqualität" #~ msgid "coarse" #~ msgstr "grob" #~ msgid "normal" #~ msgstr "normal" #~ msgid "fine" #~ msgstr "fein" #~ msgid "ultrafine" #~ msgstr "ultrafein" #~ msgid "Radial Scheme:" #~ msgstr "Strahlenförmiges Schema:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Alle Funktionale anzeigen" #~ msgid "Property:" #~ msgstr "Eigenschaft:" #~ msgid "Polarizability" #~ msgstr "Polarisierbarkeit" #~ msgid "Frequency Dependent" #~ msgstr "Frequenzabhängigkeit" #~ msgid "No. excitations:" #~ msgstr "Keine Anregungen:" #~ msgid "EFP Matches" #~ msgstr "EFP-Übereinstimmungen" #~ msgid "Group Label:" #~ msgstr "Gruppen-Beschriftung:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Erweiterte Einstellungen" #~ msgid "Hessian" #~ msgstr "Hessematrix" #~ msgid "Stat Point" #~ msgstr "statistischer Punkt" #~ msgid "System" #~ msgstr "System" #~ msgid "MO Guess" #~ msgstr "Schätzung von MO" #~ msgid "Misc" #~ msgstr "Versch." #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Polarisation-Funktion von schweren Atomen:" #~ msgid "Read" #~ msgstr "Lese" #~ msgid "SBKJC" #~ msgstr "SBKJC Basisset" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "S-Hülle auf schweren Atomen diffusieren" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "L-Hülle auf schweren Atomen diffusieren" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "doppelte Zeta Valenz" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "dreifach Zeta Valenz" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA Valenz" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt Valenz" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP Typ:" #~ msgid "Default" #~ msgstr "Voreinstellung" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F schwere Atom Polarisationsfunktion" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#Lichtatom Polarisationsfunktion" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Max SCF Iterations:" #~ msgstr "maximale SCF Iterationen:" #~ msgid "Gradient" #~ msgstr "Gradient" #~ msgid "Trudge" #~ msgstr "mühseliger Weg" #~ msgid "Saddle Point" #~ msgstr "Sattelpunkt" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Extremum eines Gradienten" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "radiaitive Transistion mom." #~ msgid "Spin Orbit" #~ msgstr "Spinlaufbahn" #~ msgid "Finite Electric Field" #~ msgstr "finites elektrisches Feld" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Globale Optimierung" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO Optimierung" #~ msgid "Raman Intensities" #~ msgstr "Raman Intensität" #~ msgid "Make EFP" #~ msgstr "EFP durchführen" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Kein (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Brüder" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF Typ:" #~ msgid "Localization Method:" #~ msgstr "Lokalisierungmethode" #~ msgid "Exec Type:" #~ msgstr "Durchführungs-Typ" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinante" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Besetzung des multiplen aktiven Raums eingeschränkt" #~ msgid "CI Singles" #~ msgstr "CI Singles" #~ msgid "Full Second Order CI" #~ msgstr "Ganz zweiter Ordnung CI" #~ msgid "General CI" #~ msgstr "Allgemeines CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Linearisiertes CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC mit Doppeln" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC mit Einzeln und Doppeln" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Normaler Lauf" #~ msgid "Check" #~ msgstr "Prüfe" #~ msgid "Debug" #~ msgstr "Debug" #~ msgid "Molecule Charge:" #~ msgstr "Molekülladung:" #~ msgid "Run Type:" #~ msgstr "Lauftyp:" #~ msgid "Use MP2" #~ msgstr "MP2 benutzen" #~ msgid "Use DFT" #~ msgstr "DFT benutzen" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# der Z-Matrix Variablen" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Reihenfolge der Hauptachsen:" #~ msgid "Coordinate Type:" #~ msgstr "Koordinatentyp:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Eindeutige Kartesische Koordinaten" #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrant-Interna" #~ msgid "MOPAC Z-Matrix" #~ msgstr "MOPAC Z-Matrix" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Verwende Symmetrie während der Berechnung" #~ msgid "Point Group:" #~ msgstr "Punktgruppe:" #~ msgid "Minutes" #~ msgstr "Minuten" #~ msgid "Hours" #~ msgstr "Stunden" #~ msgid "Days" #~ msgstr "Tage" #~ msgid "Weeks" #~ msgstr "Wochen" #~ msgid "Years" #~ msgstr "Jahre" #~ msgid "Millenia" #~ msgstr "Jahrtausende" #~ msgid "MegaWords" #~ msgstr "MegaWords" #~ msgid "MegaBytes" #~ msgstr "MegaBytes" #~ msgid "GigaWords" #~ msgstr "GigaWörter" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Parallele Methoden erzwingen" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "\"Kern\"datei nach dem Abbruch erstellen" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Speicher:" #~ msgid "Diagonalization Method:" #~ msgstr "Diagonalisierungsmethode:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Paralleler Auslastungsverteilungstyp" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Schleife" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Nächster Wert" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Benutze externe Datendarstellung für Mitteilungen" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO gelesen ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO gespeichert (DICTNRY)" #~ msgid "Skip" #~ msgstr "Überspringen" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Alpha- und Beta-Orbitale rotieren" #~ msgid "Print the Initial Guess" #~ msgstr "Erste Schätzung anzeigen" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "GAMESS-Schnittstelle zu anderen Codes" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Erzwinge einen Test des Ausführungsablaufs" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK-Version)" #~ msgid "Solvate with Water" #~ msgstr "In Wasser lösen" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Erzeuge natürliche UHF-Orbitale" #~ msgid "Direct SCF" #~ msgstr "Direktes SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Berechne nur Änderung in der Fock-Matrix" #~ msgid "Slater exchange" #~ msgstr "Slater-Austausch" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke-1988-Austausch" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair-Korrelation (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr-Korrelation" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater-Austausch + VWN-Korrelation" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE-Austausch + VWN5-Korrelation" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE-Austausch + LYP-Korrelation" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill-1996-Austausch" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof-Austausch (PBE)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: Ein-Parameter progressive Korrelation" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr-Korrelation (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP-Korrelation" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE-Austausch + OP-Korrelation" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL-Austausch + VWN5-Korrelation" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL-Austausch + LYP-Korrelation" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE-Austausch + VWN6-Korrelation" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE-Austausch + LYP-Korrelation" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE-Austausch + OP-Korrelation" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF- und BECKE-Austausch + LYP-Korrelation" #~ msgid "Grid-Free" #~ msgstr "Rasterfrei" #~ msgid "DFT Functional:" #~ msgstr "DFT-Funktion:" #~ msgid "AO Integral Storage" #~ msgstr "AO-Integralspeicher" #~ msgid "Duplicated on Each Node" #~ msgstr "Dupliziert auf jedem Knoten" #~ msgid "Distributed Across All Nodes" #~ msgstr "Auf alle Knoten verteilt" #~ msgid "words" #~ msgstr "Worte" #~ msgid "Compute MP2 Properties" #~ msgstr "Berechne MP2-Eigenschaften" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Integral-Rückhaltungs-Cutoff:" #~ msgid "Use Localized Orbitals" #~ msgstr "Lokalisierte Orbitale benutzen" #~ msgid "# of Core Electrons:" #~ msgstr "Anzahl der Kern-Elektronen" #~ msgid "Transformation Method" #~ msgstr "Transformationsmethode" #~ msgid "Two Phase Bin Sort" #~ msgstr "Zweistufiges Binary Sort" #~ msgid "Segmented Transformation" #~ msgstr "Segmentierte Umwandlung" #~ msgid "Numeric" #~ msgstr "Numerisch" #~ msgid "Double Differenced Hessian" #~ msgstr "Doppelt differenzierte Hessematrix" #~ msgid "Print Internal Force Constants" #~ msgstr "Interne Kraftkonstanten ausgeben" #~ msgid "Displacement Size:" #~ msgstr "Verschiebungsgrösse:" #~ msgid "Purify Hessian" #~ msgstr "Bereinige Hessematrix" #~ msgid "Frequency Scale Factor:" #~ msgstr "Frequenzskalierungsfaktor:" #~ msgid "bohrs" #~ msgstr "Bohr" #~ msgid "Initial Hessian" #~ msgstr "Ursprüngliche Hessematrix" #~ msgid "Guess (+ define)" #~ msgstr "Rate (+ definiere)" #~ msgid "Read (from $HESS)" #~ msgstr "Lese (aus $HESS)" #~ msgid "Update Step Size" #~ msgstr "Erneuere Schrittgrösse" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Orbitale bei jeder Iteration anzeigen" #~ msgid "Jump Size:" #~ msgstr "Sprunggrösse:" #~ msgid "Stationary Point" #~ msgstr "Fixpunkt" #~ msgid "Initial:" #~ msgstr "Anfang:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Rationale Funktionsoptimierung" #~ msgid "Quadratic Approximation" #~ msgstr "Quadratische Annährung" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Eingeschränkte Optimierung" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Berechne Hessematrix neu alle:" #~ msgid "Follow Mode:" #~ msgstr "Folge-Modus:" #~ msgid "GAMESS-UK Input" #~ msgstr "GAMESS-UK-Eingabe" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Von Avogadro generierte GAMESS-UK-Eingabe" #~ msgid "Transition State Search" #~ msgstr "Übergangsstatussuche" #~ msgid "Basis:" #~ msgstr "Basis:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Z-Matrix" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "Im direkten Modus werden Integrale nicht gespeichert, sondern bei Bedarf " #~ "neuberechnet.\n" #~ "Bei modernen Systemen mit schnellen Prozessoren und langsamen Festplatten " #~ "ist das meist schneller." #~ msgid "Run in direct mode:" #~ msgstr "Im direkten Modus starten:" #~ msgid "Gaussian Input" #~ msgstr "Gaussian Eingabe" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Standard" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Kontrollpunkt:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-Matrix (kompakt)" #~ msgid "MOLPRO Input" #~ msgstr "MOLPRO Eingabe" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Molpro-Version:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "MOPAC-Eingabe" #~ msgid "Quartet" #~ msgstr "Quartett" #~ msgid "Quintet" #~ msgstr "Quintett" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "NWChem Eingabe" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem-Eingabe" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "TeraChem-Eingabe" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Unbegrenzt" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "Nein" #~ msgid "yes" #~ msgstr "Ja" #~ msgid "D2" #~ msgstr "D2" #~ msgid "D3" #~ msgstr "D3" #~ msgid "Dispersion:" #~ msgstr "Streuung:" #~ msgid "Load Shaders" #~ msgstr "Lade Shader" #~ msgid "Shader Name:" #~ msgstr "Shader-Name:" #~ msgid "Vertex Shader:" #~ msgstr "Vertex-Shader:" #~ msgid "Fragment Shader:" #~ msgstr "Fragment-Shader:" #~ msgid "Assign Shader" #~ msgstr "Weise Shader zu" #~ msgid "Display Type:" #~ msgstr "Anzeigetyp:" #~ msgid "Font:" #~ msgstr "Zeichensatz" #~ msgid "Change Font..." #~ msgstr "Schrift ändern …" #~ msgid "New..." #~ msgstr "Neu …" #~ msgid "Rename..." #~ msgstr "Umbenennen …" #~ msgid "&Schemes:" #~ msgstr "Schemata:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Breite:" #~ msgid "&Height" #~ msgstr "&Höhe" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "Einen optimierte Schriftgröße statt der vorgegebenen benutzen." #~ msgid "Auto-adjust F&ont Size" #~ msgstr "&Zeichensatzgröße automatisch einstellen" #~ msgid "Spectra Tab" #~ msgstr "Spektraltabelle" #~ msgid "&Gaussian Width:" #~ msgstr "&Gaussche Breite" #~ msgid "&Label peaks" #~ msgstr "&Spitzen des Graphen" #~ msgid "Rotatory Strength type:" #~ msgstr "Art der Rotationsstärke:" #~ msgid "Energy units:" #~ msgstr "Energieeinheiten:" #~ msgid "Density units" #~ msgstr "Dichteeinheiten" #~ msgid "Fermi Energy: " #~ msgstr "Fermi-Energie " #~ msgid "States / Cell" #~ msgstr "Zustand / Zelle" #~ msgid "States / Atom" #~ msgstr "Zustand / Atom" #~ msgid "States / Valence electron" #~ msgstr "Zustand / Valenzelektron" #~ msgid "Fermi energy at zero" #~ msgstr "Fermie-Energie am Nullpunkt" #~ msgid "Scale integrated DOS" #~ msgstr "Integrierte DOS skalieren" #~ msgid "Show integrated DOS" #~ msgstr "Integrierte DOS anzeigen" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "&Y Achsen Einheiten:" #~ msgid "Scaling Type:" #~ msgstr "Skalierungstyp:" #~ msgid "Relative" #~ msgstr "Relativ" #~ msgid "Laser Wavenumber:" #~ msgstr "Laser-Wellenzahl:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Nucleus:" #~ msgstr "Nukleus:" #~ msgid "Gaussian &Width:" #~ msgstr "Gaussche &Breite:" #~ msgid "Reset &Plot Axes" #~ msgstr "Zurücksetzten &Achsen neu zeichnen" #~ msgid "Label Peaks:" #~ msgstr "Spitzen des Graphen" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Molukulare Vibrationen" #~ msgid "Filter: " #~ msgstr "Filter: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Aktivität (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "Spektren &anzeigen …" #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "Höhere Frequenz-Vibrationen zeigt schnellere Bewegung" #~ msgid "Animation speed set by frequency" #~ msgstr "Animationsgeschwindigkeit gesetzt durch Frequenz" #~ msgid "Display force &vectors" #~ msgstr "Kraftvektoren anzeigen" #~ msgid "&Normalize displacements" #~ msgstr "Ablösungen &Normalisieren" #~ msgid "&Recalculate All" #~ msgstr "Alle &neuberechnen" #~ msgid "Default &Quality:" #~ msgstr "Vorgabe&qualität:" #~ msgid "Show occupied orbitals first" #~ msgstr "Zeige besetzte Orbitale zuerst" #~ msgid "Limit orbital precalculations to " #~ msgstr "Orbitale Vorberechnungen begrenzen auf " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "Orbitale um HOMO/LUMO" #~ msgid "Surface Type:" #~ msgstr "Oberflächen Typ:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Niedrig" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Mittel" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Hoch" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Sehr Hoch" #~ msgid "Isosurface cutoff value" #~ msgstr "Isooberflächen Wert für die Abschaltung" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "in Anzeige Typ" #~ msgid "New Display" #~ msgstr "Neue Anzeige" #~ msgid "Advanced..." #~ msgstr "Erweitert …" #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "&Länge:" #~ msgid "Uni&t:" #~ msgstr "Einhe&t:" #~ msgid "periodic units" #~ msgstr "periodische Einheiten" #~ msgid "angstrom" #~ msgstr "Ångström" #~ msgid "bohr radii" #~ msgstr "Bohrsche Radien" #~ msgid "nanometers" #~ msgstr "Nanometer" #~ msgid "&Cap with hydrogen" #~ msgstr "Mit Wasserstoffatom abs&chließen" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "Dies könnte eine Weile dauern. Falls nur die Atomkoordinaten\n" #~ "benötigt werden (z.B. für eine quantenmechanische\n" #~ "Berechnung), sollte eine Repräsentation ausschließlich mit\n" #~ "Einzelbindungen genügen." #~ msgid "Find &double bonds" #~ msgstr "&Doppelbindungen finden" #~ msgid "Display visual cues" #~ msgstr "Sichtmerkmale anzeigen" #~ msgid "Python Settings" #~ msgstr "Python-Einstellungen" #~ msgid "Z Matrix Editor" #~ msgstr "Z Matrix Editor" avogadrolibs-1.100.0/i18n/el.po000066400000000000000000013513401474375334400160710ustar00rootroot00000000000000# Greek translation for avogadro # Copyright (c) 2009 Rosetta Contributors and Canonical Ltd 2009 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2009. # Dimitris Spingos (Δημήτρης Σπίγγος) , 2014. # Michalis , 2021. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-16 14:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Greek \n" "Language: el\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, fuzzy, qt-format msgid "%1 Input Generator" msgstr "%1 Γεννήτρια εισόδου" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Συνέχεια" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Κλείσιμο" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Άγνωστο" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Υδρογόνο" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Ήλιο" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Λίθιο" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Βηρύλλιο" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Βόριο" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Άνθρακας" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Άζωτο" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Οξυγόνο" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Φθόριο" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Νέον" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Νάτριο" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Μαγνήσιο" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Αργίλιο" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Πυρίτιο" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Φώσφορος" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Θείο" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Χλώριο" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Αργό" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Κάλιο" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Ασβέστιο" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Σκάνδιο" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Τιτάνιο" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Βανάδιο" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Χρώμιο" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Μαγγάνιο" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Σίδηρος" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Κοβάλτιο" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Νικέλιο" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Χαλκός" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Ψευδάργυρος" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Γάλλιο" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Γερμάνιο" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Αρσενικό" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Σελήνιο" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Βρώμιο" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Κρυπτό" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Ρουβίδιο" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Στρόντιο" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Ύττριο" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Ζιρκόνιο" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Νιόβιο" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Μολυβδαίνιο" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Τεχνήτιο" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Ρουθήνιο" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Ρόδιο" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Παλλάδιο" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Άργυρος" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Κάδμιο" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Ίνδιο" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Κασσίτερος" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Αντιμόνιο" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Τελλούριο" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Ιώδιο" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Ξένον" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Καίσιο" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Βάριο" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Λανθάνιο" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Δημήτριο" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Πρασεοδύμιο" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Νεοδύμιο" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Προμήθειο" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Σαμάριο" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Ευρώπιο" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Γαδολίνιο" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Τέρβιο" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Δυσπρόσιο" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Όλμιο" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Έρβιο" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Θούλιο" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Υττέρβιο" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Λουτήτιο" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Άφνιο" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Ταντάλιο" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Βολφράμιο" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Ρήνιο" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Όσμιο" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Ιρίδιο" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Λευκόχρυσος" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Χρυσός" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Υδράργυρος" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Θάλλιο" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Μόλυβδος" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Βισμούθιο" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Πολώνιο" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Αστάτιο" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Ραδόνιο" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Φράγκιο" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Ράδιο" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Ακτίνιο" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Θόριο" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Πρωτακτίνιο" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Ουράνιο" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Ποσειδώνιο" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Πλουτώνιο" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Αμερίκιο" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Κιούριο" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Μπερκέλιο" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Καλιφόρνιο" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Αϊνσταΐνιο" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Φέρμιο" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Μεντελέβιο" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Νομπέλιο" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Λωρένσιο" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Ραδερφόρντιο" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Δούβνιο" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Σιμπόργκιο" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Μπόριο" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Χάσιο" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Μαϊτνέριο" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Δαρμστάτιο" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Ρεντγκένιο" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Κοπερνίκιο" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Νιχόνιο" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Φλερόβιο" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Μοσκόβιο" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Λιβερμόριο" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Τενέσιο" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Ογκανέσσιο" #: qtgui/filebrowsewidget.cpp:23 #, fuzzy msgid "Browse" msgstr "Περιήγηση" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Όλα τα Αρχεία" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Τίτλος" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 #, fuzzy msgid "Theory" msgstr "Θεωρία" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Βάση" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 #, fuzzy msgid "[no molecule]" msgstr "Δεν έχει οριστεί μόριο" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Σφαίρα και ράβδος" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Καρτούν" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Ροπή διπόλου" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Δύναμη" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Ετικέτα" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 #, fuzzy #| msgid "QTAIM" msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Βαν ντερ Βάαλς" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Απλός σκελετός" #: qtgui/moleculemodel.cpp:92 #, fuzzy msgid "Untitled" msgstr "χωρίς τίτλο" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Περιοδικός Πίνακας" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Προσθήκη ατόμου" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Αφαίρεση ατόμου" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Προσαρμογή υδρογόνων" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Τροποποίηση στοιχείου" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Τροποποίηση στοιχείου" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Προσθήκη δεσμού" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 #, fuzzy msgid "Clear Bonds" msgstr "Διαγραφή δεσμού" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Τροποποίηση σειράς δεσμών" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 #, fuzzy msgid "Remove Unit Cell" msgstr "Αφαίρεση μοναδιαίας κυψελίδας" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 #, fuzzy msgid "Wrap Atoms to Cell" msgstr "Αναδίπλωση ατόμων στο κελί" #: qtgui/rwmolecule.cpp:522 #, fuzzy msgid "Scale Cell Volume" msgstr "Κλιμάκωση όγκου μοναδιαίας κυψελίδας" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "Περιστροφή σε πρότυπο προσανατολισμό" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 #, fuzzy msgid "Reduce to Primitive" msgstr "Αναγωγή σε κύρια κυψελίδα" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 #, fuzzy msgid "Symmetrize Cell" msgstr "Να γίνει συμμετρικός ο κρύσταλλος" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Γέμισμα μοναδιαίας κυψελίδας" #: qtgui/rwmolecule.cpp:702 #, fuzzy msgid "Reduce Cell to Asymmetric Unit" msgstr "Αναγωγή σε ασύμμετρη μονάδα" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 #, fuzzy #| msgid "&Settings" msgid "Settings" msgstr "Ρυθμίσεις" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Αρχείο" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 #, fuzzy msgid "&Export" msgstr "&Εξαγωγή" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Κατασκευή" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Στοιχείο:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Στοίχιση" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" "Στοίχιση μορίων\n" "\n" "Αριστερό πλήκτρο: Επιλέξτε μέχρι δύο άτομα.\n" " Το πρώτο άτομο κεντράρεται στο αρχικό.\n" " Το δεύτερο άτομο στοιχίζεται στον επιλεγμένο άξονα.\n" "Δεξιό πλήκτρο: Επαναφορά στοίχισης.\n" "Διπλό πάτημα: Κεντράρισμα του ατόμου στο αρχικό." #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Άξονας:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Στοίχιση μορίων σε έναν καρτεσιανό άξονα" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 #, fuzzy msgid "Open Output File…" msgstr "Άνοιγμα αρχείου…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, fuzzy msgid "IO Error" msgstr "Σφάλμα" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Σφάλμα" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "Επιτυχία" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "Προσαρμοσμένο χρώμα" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "Με το στοιχείο" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy #| msgid "Partial Charge" msgid "By Partial Charge…" msgstr "Με Μερικό φορτίου…" #: qtplugins/applycolors/applycolors.cpp:82 #, fuzzy msgid "By Secondary Structure" msgstr "δευτεροταγούς δομής" #: qtplugins/applycolors/applycolors.cpp:87 #, fuzzy msgid "By Amino Acid" msgstr "Αμινοξέα" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 #, fuzzy #| msgid "Spectra" msgctxt "colormap" msgid "Spectral" msgstr "Φάσματα" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "Π&ροβολή" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 #, fuzzy msgid "Color Residues" msgstr "Χρώμα υπόλοιπο" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Εμφάνιση πολλαπλών δεσμών" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Δεσμοκεντρικός χειρισμός" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Δεσμοκεντρικός χειρισμός" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "Να κατανοηθούν οι δεσμοί" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "Δεσμός" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 #, fuzzy msgid "Perceive bond orders." msgstr "Να κατανοηθούν οι δεσμοί." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Σκελετός" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Ταινία" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Καρτούν" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Καρτούν" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Προσθήκη κέντρου μάζας" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "&Επεκτάσεις" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #, fuzzy msgid "Scripts" msgstr "Σενάρια" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 #, fuzzy #| msgid "Other" msgid "Other…" msgstr "Άλλο…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Όνομα στοιχείου." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Σύμβολο στοιχείου." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Δείκτες ατόμου" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Ατομικός αριθμός." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Προσαρμοσμένο" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Είσοδος Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 #, fuzzy msgid "Copy" msgstr "Αντιγραφή" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 #, fuzzy msgid "Clear" msgstr "Εκαθάριση" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Ενέργεια" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 #, fuzzy msgid "Molecular Dynamics" msgstr "Μοριακή δυναμική" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 #, fuzzy msgid "Geometry Optimization" msgstr "Γεωμετρική βελτιστοποίηση" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 #, fuzzy msgid "Molecular Mechanics" msgstr "Μοριακή μηχανική" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "ΚΑΝΕΝΑ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 #, fuzzy msgid "Conjugate Gradients" msgstr "Συζυγείς βαθμίδες" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 #, fuzzy msgid "Steepest descent" msgstr "Μέγιστη κάθοδος" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy msgid "Import Crystal from Clipboard…" msgstr "Εισαγωγή κρυστάλλου από το πρόχειρο…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy msgid "Edit Unit Cell…" msgstr "Προσθήκη μοναδιαίας κυψελίδας…" #: qtplugins/crystal/crystal.cpp:57 #, fuzzy msgid "&Wrap Atoms to Unit Cell" msgstr "Ανα&δίπλωση ατόμων στο κελί" #: qtplugins/crystal/crystal.cpp:63 #, fuzzy msgid "Rotate to Standard &Orientation" msgstr "Περιστροφή σε πρότυπο προσανατολισμό" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy msgid "Scale Cell &Volume…" msgstr "Κλιμάκωση κυψελίδας στον ό&γκο…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Αναγωγή κελιού (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "&Crystal" msgstr "Κρύσταλλος" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Αφαίρεση &μοναδιαίας κυψελίδας" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Προσθήκη &μοναδιαίας κυψελίδας" #: qtplugins/crystal/crystal.cpp:168 #, fuzzy msgid "Import Crystal from Clipboard" msgstr "Εισαγωγή κρυστάλλου από το πρόχειρο" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "Διατήρηση των ατόμων στην μοναδιαία κυψελίδα" #: qtplugins/crystal/crystal.cpp:177 #, fuzzy #| msgid "Rotate to Standard Orientation" msgid "Rotate the unit cell to the standard orientation." msgstr "Περιστροφή σε πρότυπο προσανατολισμό" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 #, fuzzy msgid "The unit cell is already reduced." msgstr "Αυτή η μοναδιαία κυψελίδα έχει ήδη αναχθεί." #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "Κρύσταλλος" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Αδύνατη η ανάλυση του κειμένου" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Σχεδίαση" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Σχεδίαση ατόμου" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Απόσταση:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Απλή" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Διπλός" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Τριπλός" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 #, fuzzy msgid "&Import" msgstr "Εισαγωγή" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Λήψη από PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Χημική δομή για μεταφόρτωση." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Αποτυχία μεταφόρτωσης δικτύου" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Όριο χρόνου δικτύου η άλλο σφάλμα." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Το συγκεκριμένο μόριο δεν μπόρεσε να βρεθεί: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Λήψη από PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 #, fuzzy msgid "Optimize Geometry" msgstr "Βελτιστοποίηση Γεωμετρίας" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "Υπολογισμός" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "%1 Ενέργεια = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield optimization" msgstr "Βελτιστοποίηση δυναμικού πεδίου" #: qtplugins/forcefield/forcefield.h:50 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" msgstr "Βελτιστοποίηση δυναμικού πεδίου" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "&GAMESS" msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Είσοδος GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "Ενέργεια μονού σημείου" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Γεωμετρία ισορροπίας" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Κατάσταση μετάπτωσης" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Συχνότητες" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Δυναμικό πυρήνα" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Αέριο" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Νερό" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Απλή" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Διπλή" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Τριπλή" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Δικατιόν" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Κατιόν" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Ουδέτερο" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Ανιόν" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Διανιόν" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Προσαρμογή υδρογόνων" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Προσθήκη υδρογόνων" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Αφαίρεση Υδρογόνων" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "Υδρογόνα" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Υδρογόνα" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 #, fuzzy #| msgid "DNA/RNA..." msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Εισαγωγή" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy #| msgid "Insert DNA/RNA" msgid "Insert DNA/RNA…" msgstr "Εισαγωγή DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "Ουρακίλη" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "Θυμίνη" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 #, fuzzy #| msgid "Molecule" msgid "Insert Molecule…" msgstr "Εισαγωγή Μόριο…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy #| msgid "Insert DNA" msgid "InsertDNA" msgstr "Εισαγωγή DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "Μόριο…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Κρύσταλλος…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "Εισαγωγή κρυστάλλου" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Εισαγωγή τμήματος" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Εισαγωγή τμήματος" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Εισαγωγή μοριακών τμημάτων για κατασκευή μεγαλύτερων μορίων." #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "Χρώμα:" #: qtplugins/label/label.cpp:170 #, fuzzy msgid "Distance from center:" msgstr "Απόσταση από το κέντρο:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Κανένα" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "Μοναδικό αναγνωριστικό" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Στοιχείο" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 #, fuzzy msgid "Atom Label:" msgstr "Ετικέτες ατόμου:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 #, fuzzy msgid "ID" msgstr "ΚΑ" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 #, fuzzy #| msgid "&LAMMPS..." msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Θα θέλατε να ενημερώσετε το κείμενο προεπισκόπησης, χάνοντας όλες τις " "αλλαγές που έγιναν στο παράθυρο προεπισκόπησης κάρτας εισόδου Lammps;" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Αδιαφάνεια:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 #, fuzzy msgid "No descriptors found!" msgstr "Χωρίς περιγραφή" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Χειρισμός" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Μέτρηση" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Δίεδρη:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Γωνία:" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "Γωνία:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(εκκρεμεί)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy #| msgid "Molecular Graph..." msgid "&Molecular…" msgstr "Μοριακό…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 #, fuzzy msgid "&Analysis" msgstr "Αναλυτική" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Ιδιότητες" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Μοριακές ιδιότητες" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Ιδιότητες μορίου" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 #, fuzzy msgid "Export CSV" msgstr "Εξαγωγή CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 #, fuzzy #| msgid "WFN files (*.wfn);;All files (*.*)" msgid "CSV Files (*.csv);;All Files (*)" msgstr "Αρχεία CSV (*.csv);;Όλα τα αρχεία (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 #, fuzzy #| msgid "Could not open file '%1' for writing." msgid "Could not open the file for writing." msgstr "Αδύνατο το άνοιγμα του αρχείου '%1' για εγγραφή." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy msgid "Export…" msgstr "Εξαγωγή…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Περιήγηση" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Χημικό όνομα" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 #, fuzzy msgid "Configure Force Field…" msgstr "Ρύθμιση Δυναμικού πεδίου…" #: qtplugins/openbabel/openbabel.cpp:59 #, fuzzy #| msgid "Conformer Search" msgid "Conformer Search…" msgstr "Αναζήτηση διαμορφομερούς…" #: qtplugins/openbabel/openbabel.cpp:65 #, fuzzy msgid "Perceive Bonds" msgstr "Να κατανοηθούν οι δεσμοί" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Προσθήκη υδρογόνων για pH…" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "Αφαίρεση Υδρογόνων" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Βελτιστοποίηση Γεωμετρίας (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Ο αριθμός των ατόμων στο παρών μόριο δεν είναι ίδιος με αυτόν του αρχείου " "τροχιάς %1" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Προσθήκη υδρογόνων (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "Προσθήκη υδρογόνων για pH" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Αφαίρεση Υδρογόνων (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Θα θέλατε να ενημερώσετε το κείμενο προεπισκόπησης, χάνοντας όλες τις " "αλλαγές που έγιναν στο παράθυρο προεπισκόπησης κάρτας εισόδου OpenMM;" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Διακοπή" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 #, fuzzy msgid "Dynamic bonding?" msgstr "Δυναμικοί δεσμοί;" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "αρχεία video (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 #, fuzzy msgid "Save File" msgstr "Αποθήκευση αρχείου" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Σθένος" #: qtplugins/propertytables/propertymodel.cpp:503 #, fuzzy msgid "Formal Charge" msgstr "Τυπικό φορτίο" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "Χρώμα" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Άτομο" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Τύπος" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "Έναρξη ατόμου" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Τέλος ατόμου" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Σειρά δεσμού" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Μήκος (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 #, fuzzy msgid "Secondary Structure" msgstr "Δομή" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Άτομο 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Κορυφή" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Άτομο 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Γωνία (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Άτομο 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Άτομο 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "Έλικας" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "Έλικας" #: qtplugins/propertytables/propertymodel.cpp:939 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "Φύλλο" #: qtplugins/propertytables/propertymodel.cpp:941 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 έλικα" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "Ιδιότητες ατόμου" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "Ιδιότητες δεσμού" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Ιδιότητες γωνίας" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy #| msgid "Torsion Properties" msgid "Torsion Properties…" msgstr "Ιδιότητες στρέψης" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "Παράθυρα για εμφάνιση ατόμου, δεσμού, γωνίας και ιδιοτήτων στρέψης." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Ιδιότητες" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Ιδιότητες ατόμου" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Ιδιότητες δεσμού" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Ιδιότητες γωνίας" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Ιδιότητες στρέψης" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Ιδιότητες διαμορφομερούς" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Αποδίδει τα κύρια τμήματα χρησιμοποιώντας ιδιότητες QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 #, fuzzy #| msgid "Molecular Graph..." msgid "Molecular Graph…" msgstr "Μοριακό γράφημα…" #: qtplugins/qtaim/qtaimextension.cpp:48 #, fuzzy #| msgid "Molecular Graph with Lone Pairs..." msgid "Molecular Graph with Lone Pairs…" msgstr "Μοριακό γράφημα με μονήρη ζεύγη…" #: qtplugins/qtaim/qtaimextension.cpp:55 #, fuzzy #| msgid "Atomic Charge..." msgid "Atomic Charge…" msgstr "Ατομικό φορτίο…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Άνοιγμα αρχείου WFN" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Αρχεία WFN (*.wfn);;Όλα τα αρχεία (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Επέκταση QTAIM" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "Επαναφορά" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 #, fuzzy #| msgid "Color by Element" msgid "Select by Element…" msgstr "Χρώμα κατά στοιχείο" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Residue…" msgstr "Επιλογή κατά υπόλοιπο…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Επιλογή" #: qtplugins/select/select.cpp:180 #, fuzzy #| msgid "Color by Element" msgid "Select Element" msgstr "Χρώμα κατά στοιχείο" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" msgstr "Επιλογή υπόλοιπο" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "Επιλογή" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Επιλογή" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 #, fuzzy msgid "Paint Atoms" msgstr "Έναρξη ατόμου" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 #, fuzzy msgid "Perceive Space Group…" msgstr "Κατανόηση ομάδας χώρου" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Γέμισμα μοναδιαίας κυψελίδας" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "Αναγωγή σε ασύμμετρη μονάδα" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "Space Group" msgstr "Ομάδαχώρου" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 #, fuzzy msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Η κατανόηση της ομάδας χώρου απέτυχε.\n" "\n" "Θα θέλατε να ξαναδοκιμάσετε με διαφορετική ανοχή;" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "Διεθνές" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:385 #, fuzzy msgid "Select Space Group" msgstr "Επιλογή ομάδας χώρου" #: qtplugins/spacegroup/spacegroup.h:24 #, fuzzy msgid "SpaceGroup" msgstr "Ομάδαχώρου" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgid "Spectra" msgid "Spectra" msgstr "Φάσματα" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "Υπέρυθρο" #: qtplugins/spectra/spectradialog.cpp:440 #, fuzzy #| msgctxt "Raman spectrum" #| msgid "Raman" msgid "Raman" msgstr "Ράμαν" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 #, fuzzy #| msgid "electron" msgid "Electronic" msgstr "Ηλεκτρόνιο" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 #, fuzzy #| msgid "&Density Of States Settings" msgid "Density of States" msgstr "Πυκνότητα καταστάσεων" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Επιλογή χρώματος παρασκηνίου" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Επιλογή χρώματος προσκηνίου" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "Επιλογή υπολογιζόμενου χρώματος φασμάτων" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "Επιλογή εισαγόμενου χρώματος φασμάτων" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 #, fuzzy #| msgid "Wavenumber (cm-1)" msgid "Wavenumbers (cm⁻¹)" msgstr "Κυματαριθμός (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 #, fuzzy #| msgid "Import Spectra" msgid "Raman Spectra" msgstr "Ράμαν φασμάτων" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 #, fuzzy #| msgid "Intensities" msgid "Intensity" msgstr "Εντάσεις" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 #, fuzzy #| msgid "Shift (ppm)" msgid "Chemical Shift (ppm)" msgstr "Μετατόπιση (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Ενέργεια (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Τροχιακό" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Συμμετρία" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Κατάσταση" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Μοριακό τροχιακό" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Ηλεκτρονική πυκνότητα" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "Μοριακό τροχιακό %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Create Surfaces" msgid "Create Surfaces…" msgstr "Δημιουργία επιφανειών…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 #, fuzzy msgid "Calculating electron density" msgstr "Υπολογίζεται η ηλεκτρονική πυκνότητα" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Επιφάνειες" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 #, fuzzy #| msgid "Symmetry" msgid "Symmetry…" msgstr "Συμμετρία" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, fuzzy, qt-format msgid "Group %1" msgstr "Ομάδας %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "Δόνηση" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, fuzzy, qt-format #| msgid "G03 failed to start." msgid "Error: %1 failed to start" msgstr "Το %1 απέτυχε να ξεκινήσει" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Διάλογος" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Φόρμα" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "Εισαγωγή τμήματος…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Φίλτρο:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Πληκτρολογήστε ένα όνομα ή μέρος ενός ονόματος για να εμφανίσετε μόνο τα " "σύμφωνα αρχεία." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Εισαγωγή" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Δυναμικό πεδίο:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Επιτυχία!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) #, fuzzy msgid "Load Structure File" msgstr "Δομή" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) #, fuzzy msgid "Load Cube File" msgstr "Φόρτωση αρχείου" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial Charge" msgid "Partial Charges" msgstr "Μερικό φορτίου" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) #, fuzzy #| msgid "Charge:" msgid "Charge Model:" msgstr "Φορτίο:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Μπορ" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Μορφή:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Εφαρμογή" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Επαναφορά όλων" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Προεπιλεγμένα" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Αποθήκευση αρχείου" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Βασικές ρυθμίσεις" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Τίτλος:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Υπολογισμός:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Μέθοδος:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Επιλογές υπερκυψελίδας" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Επανάληψη Α:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Επανάληψη Β:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Επανάληψη C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Εφαρμογή" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "Απόκρυ&ψη" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Κλιμάκωση όγκου μοναδιαίας κυψελίδας" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Ετικέτες κειμένου" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Σειρά δεσμού:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Είσοδος GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Σε:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Πολλαπλότητα:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Με:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Φορτίο:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "όνομα" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Εισαγωγή νουκλεϊκών οξέων" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "Κατασκευαστής DNA/RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Νουκλεϊκά οξέα:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Αδενίνη" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "Α" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Κυτοσίνη" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Γουανίνη" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy #| msgid "G" msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy #| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Αλληλουχία:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "ο αριθμός των ζευγών βάσης ανά στροφή έλικα" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "Α" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Ζ" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other" msgid "Other" msgstr "Άλλο" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Βάσεις ανά στροφή:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Κλώνοι:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Απλή" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Διπλός" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" "Επιλέξτε την τεχνοτροπία μονάδας που θα χρησιμοποιηθεί κατά τη διάρκεια της " "προσομοίωσης." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "πραγματικές" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "μέταλλο" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "Ηλεκτρόνιο" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Δυναμικό νερού" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" "Επιλογή της χρησιμοποιούμενης τεχνοτροπίας_ατόμου από το αρχείο δεδομένων." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Τεχνοτροπία ατόμου" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "γωνία" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "ατομικό" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "δεσμός" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "φορτίο" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "δίπολο" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "ελλειψοειδής" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "πλήρης" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "γραμμή" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "μεσοϊσομερές" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "μοριακό" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "περί" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "σφαίρα" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "τρι" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "Κυματοπακέτο" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Ορίστε το όνομα που θα χρησιμοποιηθεί για το αρχείο συντεταγμένων" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Αρχείο δεδομένων συντεταγμένων" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Σύνολο" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Θερμοκρασία" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Επιλογή του αριθμού των αλυσίδων Nosé-Hoover στο σύνολο NVT." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "Αλυσίδες NH" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Βήμα χρόνου για την προσομοίωση σε μονάδες σύμφωνα με την προδιαγραφή " "\"Μονάδες\"." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Βήμα χρόνου" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" "Όνομα αρχείου του αρχείου XYZ για εγγραφή κατά τη διάρκεια της προσομοίωσης." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Αποτύπωση XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Αριθμός διαστάσεων στο σύστημα." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Διαστάσεις" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Αλλαγή της τεχνοτροπίας ορίου Ζ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "fm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Αλλαγή της τεχνοτροπίας ορίου Υ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Αλλαγή της τεχνοτροπίας ορίου Χ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) #, fuzzy #| msgid "Select bondary Styles in X, Y and Z directions." msgid "Select boundary Styles in X, Y and Z directions." msgstr "Επιλογή τεχνοτροπιών ορίου στις κατευθύνσεις Χ, Υ και Ζ." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Όριο" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Αριθμός αντιγράφων στις κατευθύνσεις Χ, Υ και Ζ." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Αντιγραφή" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Αντιγραφή της κατεύθυνσης Χ." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Αντιγραφή της κατεύθυνσης Υ." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Αντιγραφή της κατεύθυνσης Ζ." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Συνολικός αριθμός βημάτων χρόνου για εκτέλεση της προσομοίωσης." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Συνολικά βήματα" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Αποτύπωση διαστήματος" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Ορισμός των αρχικών ταχυτήτων ατόμου για την προσομοίωση." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Αρχικές ταχύτητες" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Επιλογή της κατανομής των αρχικών ταχυτήτων ατόμου." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "Γκάους" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "ομοιόμορφο" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" "Ορισμός των αρχικών ταχυτήτων ατόμου για να ταιριάζει αυτήν τη θερμοκρασία." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Αφαίρεση της γραμμικής ορμής συστήματος από τις αρχικές ταχύτητες." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Μηδενική γραμμική ορμή" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Αφαίρεση της γωνιακής ορμής συστήματος από τις αρχικές ταχύτητες." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Μηδενική γωνιακή ορμή" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Να ελέγχεται η θερμοδυναμική έξοδος κατά τη διάρκεια της προσομοίωσης." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Διάστημα εξόδου" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Τεχνοτροπία θερμοδυναμικής εξόδου." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Μία γραμμή" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Πολλαπλές γραμμές" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Χρήση μορφής" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "Χ" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Υ" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Μετατόπιση κατά:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Περιστροφή γύρω από:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Αρχικό" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "Άξονας Χ" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Άξονας Υ" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Άξονας Ζ" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Αναζήτηση διαμορφομερούς" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Μέθοδος" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Number of conformers" msgid "Number of conformers:" msgstr "Αριθμός διαμορφομερών:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Συστηματική αναζήτηση ρότορα" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Τυχαία αναζήτηση ρότορα" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Σταθμισμένη αναζήτηση ρότορα" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Γενετική αναζήτηση αλγορίθμου" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Γενετικές επιλογές αλγορίθμου" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy #| msgid "Children" msgid "Children:" msgstr "Θυγατρικά" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Mutability" msgid "Mutability:" msgstr "Αστάθεια" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) #, fuzzy #| msgid "Scoring method" msgid "Scoring method:" msgstr "Μέθοδος βαθμολόγησης" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "RMSD" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Μέγιστη κάθοδος" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Δυναμικό πεδίο:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Αναφορά:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Απλή" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Διπλός" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Περιορισμοί" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Θερμοκρασία" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Συνολική ενέργεια" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Μήκος κύματος" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Κρίσιμη ακτίνα σημείου:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Ακτίνα διαδρομής δεσμού:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Ομοιοπολικός" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Σταθερό μέγεθος" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy #| msgid "Frequency Scale Factor:" msgid "Scale Factor:" msgstr "Συντελεστής κλίμακας:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Width:" msgid "Peak Width:" msgstr "Πλάτος:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) #, fuzzy #| msgid "Threshold:" msgid "Peak Threshold:" msgstr "Κατώφλι:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "Εμφ&άνιση" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Εμφάνιση" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "Εισάγει ένα tsv των πειραματικών φασμάτων που επικάθονται στο σχέδιο." #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Εισαγωγή..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Καθορισμός χρώματος..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Εισαγμένα φάσματα:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "Ε&ξαγωγή..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Φόντο:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Export Calculated Spectrum" msgid "Calculated Spectra:" msgstr "υπολογιζόμενου φάσματος:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy #| msgid "10e-" msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Εξαγωγή δεδομένων" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Κλείσιμο" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Στοιχεία ελέγχου:\n" "Διπλό αριστερό πάτημα: Επαναφορά προεπιλεγμένων ορίων άξονα\n" "Δεξιό πάτημα + σύρσιμο: μετακίνηση σχεδίου\n" "Μεσαίο πάτημα + σύρσιμο: Εστίαση στην περιοχή\n" "Τροχός κύλισης: Εστίαση στον δρομέα" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "&Φόρτωση δεδομένων..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Ποιότητα: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Χαμηλή" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Μεσαία" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Υψηλή" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Πολύ υψηλή" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Δημιουργία επιφανειών" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Χρώμα κατά:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy #| msgctxt "Electrostatic potential surface type" #| msgid "Electrostatic Potential" msgid "Electrostatic Potential" msgstr "Ηλεκτροστατικό δυναμικό" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Ανάλυση:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Τιμή ισοεπιφάνειας:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " K" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Φωτεινό" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Υπολογισμός" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Μόριο" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) #, fuzzy msgid "Formal Charge:" msgstr "Τυπικό φορτίο" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "1: Linear" msgstr "Γραμμικός" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "2: Linear" msgstr "Γραμμικός" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "Τύπος:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) #, fuzzy msgid "From Clipboard" msgstr "από το πρόχειρο" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Ομάδες" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Ομάδα:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Εύρος:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #, fuzzy msgid "Start Animation" msgstr "Έναρξη κίνησης" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) #, fuzzy msgid "Stop Animation" msgstr "Διακοπή κίνησης" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) #, fuzzy msgid " eV" msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) #, fuzzy #| msgid "" #| "\n" #| "\n" #| "

      " msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" "\n" "\n" "

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Anastasios Bourazanis,Eleftherios Kosmas, ," "Launchpad Contributions:,Anastasios Bourazanis,Eleftherios Kosmas,farkoius, ," "Launchpad Contributions:,Anastasios Bourazanis,Eleftherios Kosmas,farkoius, ," "Launchpad Contributions:,Anastasios Bourazanis,Eleftherios Kosmas,farkoius, ," "Launchpad Contributions:,Anastasios Bourazanis,Eleftherios Kosmas,farkoius, ," "Launchpad Contributions:,Anastasios Bourazanis,Eleftherios Kosmas,farkoius, ," "Launchpad Contributions:,Anastasios Bourazanis,Eleftherios Kosmas,farkoius, ," "Launchpad Contributions:,Anastasios Bourazanis,Eleftherios Kosmas,farkoius, ," "Launchpad Contributions:,Aggelos Arnaoutis,Anastasios Bourazanis,Dimitris " "Spingos,Eleftherios Kosmas,farkoius,tzem, ,Launchpad Contributions:,Aggelos " "Arnaoutis,Anastasios Bourazanis,Dimitris Spingos,Eleftherios Kosmas,farkoius," "tzem, ,Launchpad Contributions:,Aggelos Arnaoutis,Anastasios Bourazanis," "Dimitris Spingos,Eleftherios Kosmas,farkoius,tzem" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,a.brzns@gmail.com,elkosmas@gmail.com,,,a.brzns@gmail.com,elkosmas@gmail." "com,,,,a.brzns@gmail.com,elkosmas@gmail.com,,,,a.brzns@gmail.com," "elkosmas@gmail.com,,,,a.brzns@gmail.com,elkosmas@gmail.com,,,,a.brzns@gmail." "com,elkosmas@gmail.com,,,,a.brzns@gmail.com,elkosmas@gmail.com,,,,a." "brzns@gmail.com,elkosmas@gmail.com,,,,angelosarn@hotmail.com,a.brzns@gmail." "com,,elkosmas@gmail.com,,athmakrigiannis@gmail.com,,,angelosarn@hotmail.com," "a.brzns@gmail.com,,elkosmas@gmail.com,,athmakrigiannis@gmail.com,,," "angelosarn@hotmail.com,a.brzns@gmail.com,,elkosmas@gmail.com,," "athmakrigiannis@gmail.com" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #, fuzzy #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "Μερικό φορτίου" #, fuzzy #~| msgid "" #~| "Bond Centric Manipulation Tool\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view.\n" #~| "\n" #~| "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~| "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~| "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Εργαλείο χειρισμού κεντρικού δεσμού\n" #~ "\n" #~ "Αριστερό πλήκτρο: Πάτημα και σύρσιμο για περιστροφή της προβολής.\n" #~ "Μεσαίο πλήκτρο: Πάτημα και σύρσιμο για μεγέθυνση ή σμίκρυνση.\n" #~ "Δεξιό πλήκτρο: Πάτημα και σύρσιμο για μετακίνηση της προβολής.\n" #~ "Διπλό πάτημα: Επαναφορά της προβολής.\n" #~ "\n" #~ "Αριστερό πάτημα & σύρσιμο ενός δεσμού για ορισμό του επιπέδου χειρισμού:\n" #~ "Αριστερό πάτημα & σύρσιμο ενός ατόμου στον δεσμό για αλλαγή γωνίας\n" #~ "Δεξί πάτημα & σύρσιμο ενός ατόμου στον δεσμό για αλλαγή μήκους" #, fuzzy #~| msgid "" #~| "Draw Tool (F8)\n" #~| "\n" #~| "Left Mouse: \tClick and Drag to create Atoms and Bonds\n" #~| "Right Mouse: \tDelete Atom" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Εργαλείο σχεδίασης (F8)\n" #~ "\n" #~ "Αριστερό πλήκτρο: Πάτημα και μετακίνηση για τη δημιουργία ατόμων και " #~ "δεσμών\n" #~ "Δεξί πλήκτρο: Διαγραφή ατόμου" #, fuzzy #~| msgid "" #~| "Click to Measure (F12)\n" #~| "\n" #~| "Left Mouse: \tSelect up to three Atoms.\n" #~| "\tDistances are measured between 1-2 and 2-3\n" #~| "\tAngle is measured between 1-3 using 2 as the common point\n" #~| "Right Mouse: \tReset the measurements.Double-Click: \tReset the view." #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Πάτημα για μέτρηση (F12)\n" #~ "\n" #~ "Αριστερό πλήκτρο: Επιλέξτε μέχρι τρία άτομα.\n" #~ " Οι αποστάσεις μετριούνται μεταξύ 1-2 και 2-3\n" #~ " Η γωνία μετριέται μεταξύ 1-3 χρησιμοποιώντας το 2 ως το κοινό σημείο\n" #~ "Δεξιό πλήκτρο: Επαναφορά των μετρήσεων. Διπλό πάτημα: Επαναφορά της " #~ "προβολής." #, fuzzy #~| msgid "" #~| "Navigation Tool (F9)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Εργαλείο περιήγησης (F9)\n" #~ "\n" #~ "Αριστερό πλήκτρο: Πάτημα και σύρσιμο για την περιστροφή προβολής.\n" #~ "Μεσαίο πλήκτρο: Πάτημα και σύρσιμο για μεγέθυνση ή σμίκρυνση.\n" #~ "Δεξί πλήκτρο: Πάτημα και σύρσιμο για τη μετακίνηση της προβολής.\n" #~ "Διπλό πάτημα: Επαναφορά της προβολής." #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Κινούμενη απεικόνιση" #, fuzzy #~| msgid "" #~| "Selection Tool (F11)\n" #~| "\n" #~| "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~| "\tDrag to select a range of atoms\n" #~| "Right Mouse: \tClick outside the molecule to clear selection\n" #~| "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~| "Double-Click: \tSelect an entire fragment." #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Εργαλείο επιλογής (F11)\n" #~ "\n" #~ "Αριστερό πλήκτρο: Πάτημα για επιλογή μεμονωμένων ατόμων, υπολοίπων ή " #~ "τμημάτων\n" #~ " Σύρτε για να επιλέξετε μια περιοχή ατόμων\n" #~ "Δεξιό πλήκτρο: Πάτημα έξω από το μόριο για καθαρισμό της επιλογής\n" #~ "Χρησιμοποιήστε Ctrl για εναλλαγή της επιλογής και Shift για προσθήκη στην " #~ "επιλογή.\n" #~ "Διπλό πάτημα: Επιλογή ενός ολόκληρου τμήματος." #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Βαν ντερ Βάαλς" #, fuzzy #~| msgid "" #~| "Manipulation Tool (F10)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to move atoms\n" #~| "Middle Mouse: Click and drag to move atoms further away or closer\n" #~| "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Εργαλείο χειρισμού (F10)\n" #~ "\n" #~ "Αριστερό πλήκτρο: Πάτημα και σύρσιμο για τη μετακίνηση ατόμων\n" #~ "Μεσαίο πλήκτρο: Πάτημα και σύρσιμο για τη μετακίνηση ατόμων σε μεγαλύτερη " #~ "ή μικρότερη εγγύτητα\n" #~ "Δεξί πλήκτρο: Πάτημα και σύρσιμο για την περιστροφή των επιλεγμένων " #~ "ατόμων.\n" #~ "Διπλό πάτημα: Επαναφορά της προβολής." #~ msgid "Geometry" #~ msgstr "Γεωμετρία" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Προσθήκη &μοναδιαίας κυψελίδας" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Δείκτες ατόμου" #, fuzzy #~ msgid "By Distance" #~ msgstr "Απόσταση" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Δείκτες ατόμου" #, fuzzy #~ msgid "&Copy" #~ msgstr "Αντιγραφή Όλων" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "Όνομα μορίου κατά IUPAC:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Μοριακή μάζα (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Χημικός τύπος:" #~ msgid "Number of Atoms:" #~ msgstr "Αριθμός ατόμων:" #~ msgid "Number of Bonds:" #~ msgstr "Αριθμός δεσμών:" #~ msgid "TODO" #~ msgstr "ΠΡΟΣ ΥΛΟΠΟΙΗΣΗ" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Μέγεθος άλματος:" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "Βελτιστοποίηση" #, fuzzy #~ msgid "In." #~ msgstr "Σε:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Τμήμα..." #, fuzzy #~| msgid "DFT Functional:" #~ msgid "Functional Groups" #~ msgstr "Συναρτησιακό DFT:" #~ msgid "Other..." #~ msgstr "Άλλο..." #, fuzzy #~ msgid "Filename" #~ msgstr "Όνομα αρχείου:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Δομή" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Περιήγηση" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Περιήγηση" #~ msgid "OK" #~ msgstr "Εντάξει" #~ msgid "Cancel" #~ msgstr "Άκυρο" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Όνομα στοιχείου" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Όλα τα αρχεία" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Ρομβοεδρικό" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Μόριο" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Δεν έχει οριστεί μόριο" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Κρύσταλλος..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Προσθήκη υδρογόνων για pH..." #~ msgid "Atom Properties..." #~ msgstr "Ιδιότητες ατόμου..." #~ msgid "Bond Properties..." #~ msgstr "Ιδιότητες δεσμού..." #~ msgid "Angle Properties..." #~ msgstr "Ιδιότητες γωνίας..." #~ msgid "Torsion Properties..." #~ msgstr "Ιδιότητες στρέψης..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Ιδιότητες μορίου..." #~ msgid "Create Surfaces..." #~ msgstr "Δημιουργία επιφανειών..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Συμμετρία" #~ msgid "Insert Fragment..." #~ msgstr "Εισαγωγή τμήματος..." #~ msgid "Theory:" #~ msgstr "Θεωρία:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Απόσταση (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Περιστρέψιμη" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Διαμορφομερές %1\n" #~ "Μήκος %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Διαμορφομερές %1\n" #~ "Γωνία %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Γωνία %1" #~ msgid "Angle" #~ msgstr "Γωνία" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Διαμορφομερές %1\n" #~ "στρέψη %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Στρέψη %1" #~ msgid "Torsion" #~ msgstr "Στρέψη" #~ msgid "Energy (kJ/mol)" #~ msgstr "Ενέργεια (kJ/mol)" #~ msgid "Yes" #~ msgstr "Ναι" #~ msgid "No" #~ msgstr "Όχι" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Γεννήτρια εισόδου..." #, fuzzy #~ msgid "Import" #~ msgstr "Εισαγωγή" #~ msgid "Insert SMILES" #~ msgstr "Εισαγωγή SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Εισαγωγή τμήματος SMILES:" #~ msgid "Insert Crystal" #~ msgstr "Εισαγωγή κρυστάλλου" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Εισαγωγή μοριακών τμημάτων για κατασκευή μεγαλύτερων μορίων" #~ msgid "E&xtensions" #~ msgstr "Ε&πεκτάσεις" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Βελτιστοποίηση Γεωμετρίας" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Γεωμετρική βελτιστοποίηση" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Προσθήκη υδρογόνων" #, fuzzy #~ msgid "Stopped" #~ msgstr "Διακοπή" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Επιφάνειες" #~ msgid "Color by Index" #~ msgstr "Χρώμα κατά δείκτη" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Χρώμα κατά δείκτη (κόκκινο, πορτοκαλί, κίτρινο, πράσινο, γαλάζιο, ιώδες)." #~ msgid "Color by Partial Charge" #~ msgstr "Χρώμα ανά μερικό φορτίο" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Χρώμα ανά μερικό φορτίο ατόμου (γαλάζιο = θετικό, κόκκινο = αρνητικό." #~ msgid "Custom Color:" #~ msgstr "Προσαρμοσμένο χρώμα:" #~ msgid "Set custom colors for objects" #~ msgstr "Επιλογή προσαρμοσμένων χρωμάτων για τα αντικείμενα" #~ msgid "Color by Distance" #~ msgstr "Χρώμα κατά απόσταση" #~ msgid "Color by distance from the first atom." #~ msgstr "Χρώμα κατά απόσταση από το πρώτο άτομο" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Χρώμα κατά στοιχείο (άνθρακας = γκρίζο, οξυγόνο = κόκκινο, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Χρώμα κατά υπόλοιπο (είδος αμινοξέος, υδροφοβία,...)" #~ msgid "SMARTS Pattern:" #~ msgstr "Μοτίβο SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Χρώμα επισήμανσης:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Χρώμα κατά μοτίβο SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "" #~ "Επισήμανση ειδικών χαρακτηριστικών που ταιριάζουν με ένα μοτίβο SMARTS." #~ msgid "Ununtrium" #~ msgstr "Ουνούντριο" #~ msgid "Ununpentium" #~ msgstr "Ουνουνπέντιο" #~ msgid "Ununseptium" #~ msgstr "Ουνουνσέπτιο" #~ msgid "Ununoctium" #~ msgstr "Ουνουνόκτιο" #~ msgid "Engines" #~ msgstr "Μηχανές" #~ msgid "Axes" #~ msgstr "Άξονες" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Αποδίδει τους άξονες x, y και z στο αρχικό" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "" #~ "Αποδίδει τα κύρια χρησιμοποιώντας σφαίρες (άτομα) και ράβδους (δεσμοί)" #~ msgid "Dipole" #~ msgstr "Δίπολο" #~ msgid "Hydrogen Bond" #~ msgstr "Δεσμός υδρογόνου" #~ msgid "Renders hydrogen bonds" #~ msgstr "Αποτύπωση δεσμών υδρογόνου" #~ msgid "Select Atom Labels Color" #~ msgstr "Επιλογή χρώματος ετικετών ατόμου" #~ msgid "Select Bond Labels Color" #~ msgstr "Επιλογή χρώματος ετικετών δεσμού" #~ msgid "Select Bond Labels Font" #~ msgstr "Επιλογή γραμματοσειράς ετικετών δεσμού" #~ msgid "Polygon" #~ msgstr "Πολύγωνο" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Αποδίδει άτομα ως τετράεδρα,οκτάεδρα και άλλα πολύγωνα" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Απόδοση πρωτεινικού σκελετου ως ταινίας" #~ msgid "Ring" #~ msgstr "Δακτύλιος" #~ msgid "Renders rings with colored planes" #~ msgstr "Απόδωση δακτυλίων ως έγχρωμων επιπέδων" #~ msgid "Simple Wireframe" #~ msgstr "Απλός σκελετός" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Αποδίδει δεσμούς ως γραμμές,ιδανικό για μεγάλα μόρια" #~ msgid "Van der Waals Spheres" #~ msgstr "Σφαίρες Van der Waals" #~ msgid "Stick" #~ msgstr "Ράβδος" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Ηλεκτρονική πυκνότητα,ισοεπιφάνεια = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, ισοεπιφάνεια = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "Αποδίδει τους δεσμούς ως γραμμές,ιδανικό για πολύ μεγάλα (βιο)μόρια" #~ msgid "Trajectory files" #~ msgstr "Αρχεία τροχιάς" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Αρχεία ιστορικού DL-POLY" #~ msgid "Open Trajectory File" #~ msgstr "Άνοιγμα αρχείου τροχιάς" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Προσθήκη κατάληξης .avi" #~ msgid "Animation..." #~ msgstr "Κινούμενη απεικόνιση" #~ msgid "Cannot read file format of file %1." #~ msgstr "Αδυναμία ανάγνωσης μορφής του αρχείου %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Ανάγνωση αρχείου τροχιάς %1 απέτυχε." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Ορίστε ένα έγκυρο όνομα αρχείου .avi" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "To GL widget δεν αρχικοποιήθηκε σωστά προκειμένου να αποθηκεύσει video" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Άκυρο όνομα αρχείου βίντεο. Πρέπει να περιλαμβάνει την πλήρη διαδρομή " #~ "καταλόγου." #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Άκυρο όνομα αρχείου βίντεο. Πρέπει να περιλαμβάνει την πλήρη διαδρομή " #~ "καταλόγου και όνομα με κατάληξη .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Αδύνατος ο προσδιορισμός μορφής από το όνομα αρχείου: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Κινούμενη απεικόνιση τροχιών, αντιδράσεων, και δονήσεων." #~ msgid "Cartesian Editor" #~ msgstr "Καρτεσιανός επεξεργαστής" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Δεν ορίστηκε κελί μονάδας για το μόριο -- αδύνατη η χρήση κλασματικών " #~ "συντεταγμένων." #~ msgid "Cartesian Editor..." #~ msgstr "Καρτεσιανός επεξεργαστής..." #~ msgid "Cartesian editor" #~ msgstr "Καρτεσιανός επεξεργαστής" #~ msgid "Number of atoms: %1" #~ msgstr "Αριθμός ατόμων: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Αριθμός περιστρέψιμων δεσμών: %1" #~ msgid "Add constraint" #~ msgstr "Προσθήκη περιορισμού" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Το μόριο πρέπει να περιλαμβάνει τουλάχιστον ένα άτομο για να προσθέσετε " #~ "περιορισμό." #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Το μόριο πρέπει να περιλαμβάνει τουλάχιστον δύο άτομα για να προσθέσετε " #~ "έναν περιορισμό δεσμού" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Το μόριο πρέπει να περιλαμβάνει τουλάχιστον τρία άτομα για να προσθέσετε " #~ "έναν περιορισμό γωνίας" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Το μόριο πρέπει να περιλαμβάνει τουλάχιστον τέσσερα άτομα για να " #~ "προσθέσετε έναν περιορισμό δίεδρης γωνίας" #~ msgid "&Crystallography" #~ msgstr "&Κρυσταλλογραφία" #~ msgid "&Reduce" #~ msgstr "Αναγ&ωγή" #~ msgid "&Length Unit" #~ msgstr "Μο&νάδα μήκους" #~ msgid "&Angle Unit" #~ msgstr "Μονάδα &γωνίας" #~ msgid "&Coordinate Display" #~ msgstr "Εμφάνιση &συντεταγμένων" #~ msgid "Coordinate &Preservation" #~ msgstr "Διατήρηση συντεταγμένων" #~ msgid "&Matrix Display" #~ msgstr "Εμφάνιση &πίνακα" #~ msgid "Hide &Editors" #~ msgstr "Απόκρυψη &επεξεργαστών" #~ msgid "Show &Editors" #~ msgstr "Εμφάνιση &επεξεργαστών" #~ msgid "Hide &Property Display" #~ msgstr "Οθόνη απόκρυψης &ιδιοτήτων" #~ msgid "Show &Property Display" #~ msgstr "Οθόνη εμφάνισης &ιδιοτήτων" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Τύπος πλέγματος: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Ομάδα χώρου: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Όγκος μοναδιαίας κυψελίδας: %L1%2" #~ msgid "Undefined" #~ msgstr "Αόριστο" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Τρικλινές" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Μονοκλινές" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ορθορομβικό" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Τετραγωνικό" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Εξαγωνικό" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Κυβικό" #~ msgid "Paste Crystal" #~ msgstr "Επικόλληση κρυστάλλου" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Αποτυχία μείωσης Niggli. Το πλέγμα δομής εισόδου μπερδεύει τον αλγόριθμο " #~ "μείωσης Niggli. Δοκιμάστε να κάνετε μια μικρή διαταραχή (περίπου 2 σειρές " #~ "μεγέθους μικρότερες από την ανοχή) στα πλέγματα εισόδου και δοκιμάστε " #~ "ξανά." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Αποτυχία αναγωγής του κελιού μετά από 1000 επαναλήψεις του αλγορίθμου " #~ "μείωσης. Διακοπή." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Περιστροφή σε πρότυπο &προσανατολισμό" #~ msgid "&Slab..." #~ msgstr "&Πλάκα..." #~ msgid "Perceive Space&group..." #~ msgstr "Κατανόηση &ομάδας χώρου..." #~ msgid "Set &Spacegroup..." #~ msgstr "Ορισμός ομάδας&χώρου..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Γέμισμα μοναδιαίας κυψελίδας" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "" #~ "Γέμισμα της μοναδιαίας κυψελίδας χρησιμοποιώντας την τρέχουσα ομάδα χώρου." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Αναγωγή σε &ασύμμετρη μονάδα" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "" #~ "Αφαίρεση ατόμων σε ισοδύναμες θέσεις (αντιστροφή του κελιού μονάδας " #~ "συμπλήρωσης)." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Σ&υμμετρικός κρύσταλλος" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Αναγωγή κυψελίδας (&κύρια)" #~ msgid "&Bohr" #~ msgstr "&Μπορ" #~ msgid "&Nanometer" #~ msgstr "&Νανόμετρα" #~ msgid "&Picometer" #~ msgstr "&Πικόμετρα" #~ msgid "&Degree" #~ msgstr "Μ&οίρες" #~ msgid "&Radian" #~ msgstr "Α&κτίνια" #~ msgid "Display &cartesian coordinates" #~ msgstr "Εμφάνιση κα&ρτεσιανών συντεταγμένων" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "" #~ "Διατήρηση κα&ρτεσιανών συντεταγμένων κατά τη διάρκεια τροποποίησης του " #~ "κελιού" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "" #~ "Διατήρηση κ&λασματικών συντεταγμένων κατά τη διάρκεια τροποποίησης του " #~ "κελιού" #~ msgid "Display &cartesian matrix" #~ msgstr "Εμφάνιση κα&ρτεσιανού πίνακα" #~ msgid "Display &fractional matrix" #~ msgstr "Εμφάνιση κ&λασματικού πίνακα" #~ msgid "Display as &column vectors" #~ msgstr "Εμφάνιση ως διανύσματα &στήλης" #~ msgid "&Crystal View Options..." #~ msgstr "Επιλογές προβολής &κρυστάλλου..." #~ msgid "" #~ "

      Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

      Cell can be symmetrized into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

      " #~ msgstr "" #~ "

      Κατανοητή ομάδα χώρου %1, σύμβολο Hall %2, σύμβολο Hermann-Mauguin %3." #~ "

      Η κυψελίδα μπορεί να γίνει συμμετρική σε μια συμβατική ρύθμιση, " #~ "θέλετε να γίνει έτσι; Οι ενέργειες που χρησιμοποιούν συμμετρία (π.χ. " #~ "Δομητής υπερκυψελίδας) το απαιτούν.

      " #~ msgid "Set Spacegroup" #~ msgstr "Ορισμός ομάδας χώρου" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Δεν έχει οριστεί ομάδα χώρου για αυτό το έγγραφο.\n" #~ "\n" #~ "Θα θέλατε να ορίσετε μια ομάδα χώρου τώρα;" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Αναγνωρίστηκε ομάδα χώρου P1 -- αδύνατη η συμμετρικοποίηση σε αυτήν την " #~ "ομάδα χώρου.\n" #~ "\n" #~ "Θα θέλατε να ξαναδοκιμάσετε με διαφορετική ανοχή;" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Αναδίπλωση ατόμων στο κελί" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Αναγωγή σε κελί Niggli" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Επιλογή ανοχής στις τρέχουσες καρτεσιανές μονάδες:" #~ msgid "Crystallography" #~ msgstr "Κρυσταλλογραφία" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Κατασκευή και ανάλυση περιοδικών δομών." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "Η είσοδος δεν είναι μορφοποιημένη ως μία από\n" #~ "τις ακόλουθες υποστηριζόμενες μορφές:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "Μορφή VASP\n" #~ msgid "Bad Compostion" #~ msgstr "Εσφαλμένη σύνθεση" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "Το πεδίο ταυτοτήτων πρέπει να περιέχει τον ίδιο αριθμό καταχωρίσεων " #~ "οριοθετημένου χώρου όπως η γραμμή 6 του POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Καρτεσιανές συντεταγμένες" #~ msgid "Fractional Coordinates" #~ msgstr "Κλασματικές συντεταγμένες" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Πίνακας κελιού (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Ορισμός πίνακα μοναδιαίας κυψελίδας" #~ msgid "Set Unit Cell Params" #~ msgstr "Ορισμός παραμέτρων μοναδιαίας κυψελίδας" #~ msgid "Working..." #~ msgstr "Εργάζεται..." #~ msgid "Build" #~ msgstr "Κατασκευή" #~ msgid "Cut Slab From Crystal" #~ msgstr "Αποκοπή πλάκας από κρύσταλλο" #~ msgid "No GLWidget?" #~ msgstr "Χωρίς GLWidget;" #~ msgid "Please select one or more atoms." #~ msgstr "Παρακαλούμε επιλέξτε ένα ή περισσότερα άτομα." #~ msgid "Trajectory..." #~ msgstr "Τροχιά..." #~ msgid "Open chemical file format" #~ msgstr "Άνοιγμα μορφής χημικού αρχείου" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Χημικά αρχεία (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Άνοιγμα αρχείου παραμέτρων" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Χημικά αρχεία (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Εισαγωγή τροχιάς" #~ msgid "Import trajectory files" #~ msgstr "Εισαγωγή αρχείων τροχιάς" #~ msgid "Calculate Energy" #~ msgstr "Υπολογισμός ενέργειας" #~ msgid "Conformer Search..." #~ msgstr "Αναζήτηση διαμορφομερούς" #~ msgid "Constraints..." #~ msgstr "Περιορισμοί..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Αδύνατη η ρύθμιση του τρέχοντος επιλεγμένου πεδίου δύναμης για αυτό το " #~ "μόριο. Αλλαγή σε UFF." #~ msgid "Geometric Optimization" #~ msgstr "Γεωμετρική βελτιστοποίηση" #~ msgid "Systematic Rotor Search" #~ msgstr "Συστηματική αναζήτηση ρότορα" #~ msgid "Random Rotor Search" #~ msgstr "Τυχαία αναζήτηση ρότορα" #~ msgid "Weighted Rotor Search" #~ msgstr "Σταθμισμένη αναζήτηση ρότορα" #~ msgid "Genetic Algorithm Search" #~ msgstr "Γενετική αναζήτηση αλγορίθμου" #~ msgid "ForceField" #~ msgstr "Δυναμικό πεδίο" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Βελτιστοποίηση μορίων και δημιουργία διαμορφομερών χρησιμοποιώντας " #~ "δυναμικά πεδία μοριακής μηχανικής" #~ msgid "&Vector Graphics..." #~ msgstr "&Διανυσματικά Γραφικά..." #~ msgid "Common vector image formats" #~ msgstr "Κοινοί τύποι διανυσματικών εικόνων" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Εξαγωγή διανυσματικών γραφικών" #~ msgid "Change H to Methyl" #~ msgstr "Αλλαγή Η σε μεθύλιο" #~ msgid "H to Methyl" #~ msgstr "Από Η σε μεθύλιο" #~ msgid "H2Methyl" #~ msgstr "H2Μεθύλιο" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Μετασχηματισμός υδρογόνων σε ομάδες μεθυλίου" #~ msgid "Add or remove hydrogens" #~ msgstr "Προσθήκη ή αφαίρεση υδρογόνων" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Εισαγωγή αλυσίδων DNA/RNA" #~ msgid "Peptide..." #~ msgstr "Πεπτίδιο..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Εισαγωγή αλληλουχιών ολιγοπεπτιδίων" #~ msgid "Invert Chirality" #~ msgstr "Αντιστροφή χειρομορφίας" #~ msgid "InvertChiral" #~ msgstr "Αντιστροφή χειρόμορφου" #~ msgid "Invert chiral centers" #~ msgstr "Αντιστροφή χειρόμορφων κέντρων" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "άγνωστο" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Εκτιμώμενη διπολική ροπή (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Εμφάνιση τυπικών μοριακών ιδιοτήτων." #~ msgid "Fetch by chemical name..." #~ msgstr "Λήψη κατά χημικό όνομα..." #~ msgid "Fetch from URL..." #~ msgstr "Λήψη από URL..." #~ msgid "PDB Entry" #~ msgstr "Καταχώριση PDB" #~ msgid "PDB entry to download." #~ msgstr "Καταχώριση PDB για μεταφόρτωση." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL του μορίου για μεταφόρτωση." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Το συγκεκριμένο μόριο δεν μπόρεσε να φορτωθεί: %1" #~ msgid "Network Fetch" #~ msgstr "Λήψη δικτύου" #~ msgid "Fetch molecule files over the network." #~ msgstr "Λήψη αρχείων μορίου μέσα από το δίκτυο." #~ msgid "Show Preview" #~ msgstr "Εμφάνιση προεπισκόπησης" #~ msgid "Hide Preview" #~ msgstr "Απόκρυψη προεπισκόπησης" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Αποθήκευση αποδιδόμενης εικόνας POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Αρχεία εικόνας (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Δεν δόθηκε κανένα έγκυρο όνομα αρχείου." #~ msgid "Does not compute." #~ msgstr "Δεν υπολογίζεται." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Δεν ζητήσατε άμεση απόδοση χρησιμοποιώντας POV-Ray και όχι να διατηρήσετε " #~ "το αρχείο POV-Ray. Αυτό θα καταλήξει να μην αποθηκευτεί καμία έξοδος. " #~ "Είσαστε σίγουρος ότι είναι αυτό που θέλετε;" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Αδύνατη η εγγραφή σε αρχείο %1. Έχετε δικαιώματα εγγραφής σε αυτή τη θέση;" #~ msgid "POV-Ray failed to start." #~ msgstr "Αποτυχία εκκίνησης του POV-Ray" #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "Αποτυχία εκκίνησης του POV-Ray. Ίσως να μην ορίστηκε σωστά η διαδρομή στο " #~ "εκτελέσιμο." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Δημιουργήστε αρχεία POV-Ray και αποδώστε τα χρησιμοποιώντας τη γραμμή " #~ "εντολών του προγράμματος POV-Ray." #~ msgid "Conformer Properties..." #~ msgstr "Ιδιότητες διαμορφομερούς..." #~ msgid "Python Terminal" #~ msgstr "Τερματικό Python" #~ msgid "pythonTerminalDock" #~ msgstr "Προσάρτηση τερματικού python" #~ msgid "Interactive python scripting terminal" #~ msgstr "Διαδραστικό τερματικό σεναρίου Python" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Προειδοποίηση γεννήτριας κάρτας εισόδου Abinit" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Θα θέλατε να ενημερώσετε το κείμενο προεπισκόπησης, χάνοντας όλες τις " #~ "αλλαγές που έγιναν στο παράθυρο προεπισκόπησης κάρτας εισόδου Abinit;" #~ msgid "Abinit_Input_Deck" #~ msgstr "Abinit_Input_Deck" #~ msgid "Abinit Running." #~ msgstr "Το Abinit εκτελείται." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Το Abinit εκτελείται ήδη. Παρακαλούμε περιμένετε μέχρι να ολοκληρωθεί ο " #~ "προηγούμενος υπολογισμός." #~ msgid "Abinit Not Installed." #~ msgstr "Το Abinit δεν έχει εγκατασταθεί." #~ msgid "The abinit executable cannot be found." #~ msgstr "Το εκτελέσιμο abinit δεν μπορεί να βρεθεί." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Ψευδο (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "Το abinit δεν ξεκίνησε. Ίσως δεν έχει εγκατασταθεί σωστά." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Το Abinit δεν εκτελέστηκε σωστά. Ίσως δεν έχει εγκατασταθεί σωστά." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Προειδοποίηση γεννήτριας αρχείου εισόδου Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Θα θέλατε να ενημερώσετε το κείμενο προεπισκόπησης, χάνοντας όλες τις " #~ "αλλαγές που έγιναν στο παράθυρο προεπισκόπησης αρχείου εισόδου Dalton;" #~ msgid "QM Matches" #~ msgstr "Το QM ταιριάζει" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Επιλογή EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Επιλογή QM..." #~ msgid "Delete" #~ msgstr "Διαγραφή" #~ msgid "You must make a selection!" #~ msgstr "Παρακαλώ επιλέξτε!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Η μετατροπή SMILES είναι μη διαθέσιμη" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Η μετατροπή μορφής SMILES δεν είναι διαθέσιμη!" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Δημιουργία αρχείων εισόδου για το πακέτο κβαντικής χημείας GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Οι Προχωρημένες ρυθμίσεις μεταβλήθηκαν." #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Οι προχωρημένες ρυθμίσεις έχουν μεταβληθεί.\n" #~ "Απόρριψη?" #~ msgid "Advanced Settings Reset" #~ msgstr "Επαναφορά προχωρημένων ρυθμίσεων" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Σίγουρα επιθυμείτε να επαναφέρετε τις προχωρημένες ρυθμίσεις;\n" #~ "Όλες οι αλλαγές θα χαθούν!" #~ msgid "Basic Settings Reset" #~ msgstr "Επαναφορά βασικών ρυθμίσεων" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Σίγουρα επιθυμείτε να επαναφέρετε τις βασικές ρυθμίσεις;\n" #~ "Όλες οι αλλαγές θα χαθούν!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Προειδοποίηση γεννήτριας κάρτας εισόδου GAMESS-UK" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Θα θέλατε να ενημερώσετε το κείμενο προεπισκόπησης, χάνοντας όλες τις " #~ "αλλαγές που έγιναν στο παράθυρο προεπισκόπησης κάρτας εισόδου GAMESS-UK;" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Κάρτα εισόδου GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Προειδοποίηση γεννήτριας κάρτας εισόδου Γκάους" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Θα θέλατε να ενημερώσετε το κείμενο προεπισκόπησης, χάνοντας όλες τις " #~ "αλλαγές που έγιναν στο παράθυρο προεπισκόπησης κάρτας εισόδου Γκάους;" #~ msgid "Gaussian Input Deck" #~ msgstr "Κάρτα εισόδου Γκάους" #~ msgid "Gaussian Running." #~ msgstr "Το Gaussian εκτελείται." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Το Gaussian εκτελείται ήδη. Παρακαλώ περιμένετε μέχρι να ολοκληρωθεί ο " #~ "προηγούμενος υπολογισμός." #~ msgid "Gaussian Not Installed." #~ msgstr "Το Gaussian δεν έχει εγκατασταθεί." #~ msgid "The G03 executable, cannot be found." #~ msgstr "Το εκτελέσιμο G03 δεν βρέθηκε." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "Το G03 δεν ξεκίνησε. Ίσως δεν έχει εγκατασταθεί σωστά." #~ msgid "Running Gaussian calculation..." #~ msgstr "Εκτέλεση υπολογισμού Gaussian" #~ msgid "G03 Crashed." #~ msgstr "Το G03 κατέρρευσε." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Το Gaussian δεν εκτελέστηκε σωστά. Ίσως δεν έχει εγκατασταθεί σωστά." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "Προειδοποίηση γεννήτριας κάρτας εισόδου Lammps" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Προειδοποίηση γεννήτριας κάρτας εισόδου Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Θα θέλατε να ενημερώσετε το κείμενο προεπισκόπησης, χάνοντας όλες τις " #~ "αλλαγές που έγιναν στο παράθυρο προεπισκόπησης κάρτας εισόδου Molpro;" #~ msgid "Molpro Input Deck" #~ msgstr "Κάρτα εισόδου Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Προειδοποίηση εισόδου MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Κάρτα εισόδου MOPAC" #~ msgid "MOPAC Running." #~ msgstr "Το MOPAC εκτελείται." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "Το MOPAC εκτελείται ήδη. Παρακαλούμε περιμένετε μέχρι να ολοκληρωθεί ο " #~ "προηγούμενος υπολογισμός." #~ msgid "MOPAC Not Installed." #~ msgstr "Το MOPAC δεν έχει εγκατασταθεί." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Αδύνατη η εύρεση του εκτελέσιμου MOPAC." #~ msgid "MOPAC failed to start." #~ msgstr "Αποτυχία εκκίνησης του MOPAC." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "Το MOPAC δεν ξεκίνησε. Ίσως δεν έχει εγκατασταθεί σωστά." #~ msgid "Running MOPAC calculation..." #~ msgstr "Εκτελείται υπολογισμός MOPAC..." #~ msgid "MOPAC Crashed." #~ msgstr "Το MOPAC κατέρρευσε." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Το MOPAC δεν εκτελέστηκε σωστά. Ίσως δεν έχει εγκατασταθεί σωστά." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Προειδοποίηση γεννήτριας κάρτας εισόδου NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Θα θέλατε να ενημερώσετε το κείμενο προεπισκόπησης, χάνοντας όλες τις " #~ "αλλαγές που έγιναν στο παράθυρο προεπισκόπησης κάρτας εισόδου NWChem;" #~ msgid "NWChem Input Deck" #~ msgstr "Κάρτα εισόδου NWChem" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Προειδοποίηση γεννήτριας κάρτας εισόδου Psi4" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Θα θέλατε να ενημερώσετε το κείμενο προεπισκόπησης, χάνοντας όλες τις " #~ "αλλαγές που έγιναν στο παράθυρο προεπισκόπησης κάρτας εισόδου Psi4;" #~ msgid "Psi4 Input Deck" #~ msgstr "Κάρτα εισόδου Psi4" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Προειδοποίηση γεννήτριας κάρτας εισόδου Q-Chem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Θα θέλατε να ενημερώσετε το κείμενο προεπισκόπησης, χάνοντας όλες τις " #~ "αλλαγές που έγιναν στο παράθυρο προεπισκόπησης κάρτας εισόδου Q-Chem;" #~ msgid "QChem Input Deck" #~ msgstr "Κάρτα εισόδου QChem" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "Προειδοποίηση γεννήτριας κάρτας εισόδου TeraChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Θα θέλατε να ενημερώσετε το κείμενο προεπισκόπησης, χάνοντας όλες τις " #~ "αλλαγές που έγιναν στο παράθυρο προεπισκόπησης κάρτας εισόδου TeraChem;" #~ msgid "TeraChem Input Deck" #~ msgstr "Κάρτα εισόδου TeraChem" #~ msgid "Select SMARTS..." #~ msgstr "Επιλογή SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Προσθήκη επώνυμης επιλογής..." #~ msgid "SMARTS Selection" #~ msgstr "Επιλογή SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Υπόδειγμα SMARTS για επιλογή" #~ msgid "There is no current selection." #~ msgstr "Δεν υπάρχει τρέχουσα επιλογή." #~ msgid "Add Named Selection" #~ msgstr "Προσθήκη επώνυμης επιλογής" #~ msgid "Name cannot be empty." #~ msgstr "Το όνομα δεν μπορεί να είναι κενό." #~ msgid "There is already a selection with this name." #~ msgstr "Υπάρχει ήδη μια επιλογή με αυτό το όνομα." #~ msgid "Selections" #~ msgstr "Επιλογές" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Επιλέξτε άτομα, δεσμούς, υπόλοιπα..." #~ msgid "GLSL Shaders..." #~ msgstr "Σκιαστές GLSL..." #~ msgid "Open a vertex shader source file" #~ msgstr "Ανοίξτε ένα πηγαίο αρχείο σκιαστή κορυφής" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Αρχεία σκιαστή κορυφής (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Ανοίξτε ένα πηγαίο αρχείο σκιαστή τμήματος" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Αρχεία σκιαστή τμήματος (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Ανοίξτε ένα αρχείο παραμέτρων σκιαστή" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Αρχεία παραμέτρων σκιαστή (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "Σκιαστές GLSL" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Φόρτωση και χρήση σκιαστών OpenGL 2.0 GLSL" #~ msgid "Intensity (arb. units)" #~ msgstr "ένταση (ελεύθερες μονάδες)" #~ msgid "Density of States (states/cell)" #~ msgstr "Πυκνότητα καταστάσεων (καταστάσεις/κυψελίδα)" #~ msgid "Density of States (states/atom)" #~ msgstr "Πυκνότητα καταστάσεων (καταστάσεις/άτομο)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Πυκνότητα καταστάσεων (καταστάσεις/ ηλεκτρόνιο σθένους)" #~ msgid "Transmittance (%)" #~ msgstr "Διαπερατότητα (%)" #~ msgid "Absorbance (%)" #~ msgstr "Απορρόφηση (%)" #~ msgid "No intensities" #~ msgstr "Καμία ένταση" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Τα δεδομένα δόνησης στο μόριο που έχετε φορτώσει δεν έχουν δεδομένα " #~ "έντασης. Οι εντάσεις έχουν οριστεί σε μια τυχαία τιμή για οπτικοποίηση." #~ msgid "Activity" #~ msgstr "Ενεργότητα" #~ msgid "X Axis" #~ msgstr "Άξονας X" #~ msgid "Y Axis" #~ msgstr "Άξονας Υ" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Ρυθμίσεις &υπέρυθρων φασμάτων" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "Ρυθμίσεις φασμάτων &NMR" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "Υπεριώδες" #~ msgid "&UV Settings" #~ msgstr "Ρυθμίσεις &UV" #~ msgid "&CD Settings" #~ msgstr "Ρυθμίσεις &CD" #~ msgid "&Raman Settings" #~ msgstr "Ρυθμίσεις &Ράμαν" #~ msgid "No data" #~ msgstr "Χωρίς δεδομένα" #~ msgid "Dark" #~ msgstr "Σκοτεινό" #~ msgid "Publication" #~ msgstr "Δημοσίευση" #~ msgid "Handdrawn" #~ msgstr "Σχεδιασμένος με το χέρι" #~ msgid "New Scheme" #~ msgstr "Νέο σχήμα" #~ msgid "Confirm Scheme Removal" #~ msgstr "Επιβεβαίωση αφαίρεσης του σχήματος" #~ msgid "Really remove current scheme?" #~ msgstr "Να αφαιρεθεί πραγματικά το τρέχον σχήμα;" #~ msgid "Change Scheme Name" #~ msgstr "Αλλαγή ονόματος σχήματος" #~ msgid "Enter new name for current scheme:" #~ msgstr "Εισαγωγή νέου ονόματος για το τρέχον σχήμα:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Τιμές χωριζόμενες με στηλοθέτη (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Τιμές χωριζόμενες με στηλοθέτη" #~ msgid "Comma Separated Values" #~ msgstr "Τιμές χωριζόμενες με κόμμα" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Εισαγωγή φασμάτων" #~ msgid "Unknown extension: %1" #~ msgstr "Άγνωστη επέκταση: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "Δεδομένα IR PWscf (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Δεδομένα IR Turbomole (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Δεδομένα UV Turbomole (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Δεδομένα CD Turbomole (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Μορφή δεδομένων" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Μορφή:" #~ msgid "Load Spectral Data" #~ msgstr "Φόρτωση φασματικών δεδομένων" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Το αρχείο CD Turbomole μορφοποιήθηκε λαθεμένα : %1" #~ msgid "Portable Network Graphics" #~ msgstr "Φορητά Δικτυακά Γραφικά (PNG)" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Μορφή αρχείου εικόνας με ετικέτες" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap" #~ msgid "Portable Pixmap" #~ msgstr "Φορητό Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "Αποθήκευση εικόνας φασμάτων" #~ msgid "Image successfully written to %1" #~ msgstr "Η εικόνα γράφτηκε με επιτυχία στο %1" #~ msgid "&Advanced <<" #~ msgstr "&Προχωρημένα <<" #~ msgid "&Advanced >>" #~ msgstr "&Προχωρημένα >>" #~ msgid "&Spectra..." #~ msgstr "&Φάσματα..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "" #~ "Οπτικοποίηση φασματικών δεδομένων από υπολογισμούς κβαντικής χημείας" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Ανάλυση δονήσεων" #~ msgid "No vibrational displacements exist." #~ msgstr "Δεν υπάρχουν μετατοπίσεις δόνησης." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "" #~ "Οπτικοποίηση καταστάσεων δονήσεων από υπολογισμούς κβαντικής χημείας" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Ταξινόμηση %1 δονήσεων κατά συχνότητα..." #~ msgid "Pause" #~ msgstr "Παύση" #~ msgid "Super Cell Builder..." #~ msgstr "Δομητής υπερκυψελίδας" #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Αυτό το έγγραφο είναι προς το παρόν ένα μεμονωμένο μόριο. Πρέπει να " #~ "δημιουργήσετε μια μοναδιαία κυψελίδα." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Κατασκευή και εμφάνιση κρυσταλλογραφικών υπερκυψελίδων" #~ msgid "Molecular Orbitals..." #~ msgstr "Μοριακά τροχιακά..." #~ msgid "Orbitals" #~ msgstr "Τροχιακά" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Κανένας" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Ηλεκτρονική πυκνότητα" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Σφάλμα - αόριστος τύπος" #~ msgid "Calculating VdW Cube" #~ msgstr "Υπολογίζεται ο κύβος ΒΝΤΒ" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Υπολογίζεται το μοριακό τροχιακό %L1" #~ msgid "VdW" #~ msgstr "ΒΝΤΒ" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "Οι επιφάνειες ηλεκτροστατικού δυναμικού δεν υποστηρίζονται ακόμα." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Υπολογισμός μοριακών τροχιακών και άλλων επιφανειών" #~ msgid "&Nanotube Builder..." #~ msgstr "Κατασκευαστής &νανοσωλήνων..." #~ msgid "Nanotube Builder" #~ msgstr "Κατασκευαστής νανοσωλήνων" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Άκυρη προδιαγραφή νανοσωλήνα" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "Ο νανοσωλήνας που ζητήσατε δεν μπορεί να κατασκευαστεί για τον παρακάτω " #~ "λόγο:\n" #~ "\n" #~ "Ή το n ή το m πρέπει να είναι μεγαλύτερα από 1." #~ msgid "Insert Nanotube" #~ msgstr "Εισαγωγή νανοσωλήνα" #~ msgid "SWCNT Builder" #~ msgstr "Κατασκευαστής SWCNT" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Κατασκευή νανοσωλήνων άνθρακα μονού τοιχώματος." #~ msgid "Building..." #~ msgstr "Κατασκευάζεται..." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "Το γραφικό συστατικό GL δεν αρχικοποιήθηκε σωστά για να κάνει βίντεο" #~ msgid "GL widget has no molecule" #~ msgstr "Το γραφικό συστατικό GL δεν έχει κανένα μόριο" #~ msgid "Building video " #~ msgstr "Κατασκευή βίντεο " #~ msgid "Could not run mencoder." #~ msgstr "Αδύνατη η εκτέλεση του mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Ορισμός αναλογίας διαστάσεων" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Η τρέχουσα σκηνή Avogadro έχει πλάτος %1x%2 εικονοστοιχεία και συνεπώς " #~ "έχει αναλογία διαστάσεων %3.\n" #~ "Μπορείτε να κρατήσετε αυτήν την τιμή, για παράδειγμα αν σκοπεύετε να " #~ "χρησιμοποιήσετε POV-Ray για να παράξετε μια εικόνα %4x1000\n" #~ "εικονοστοιχεία, ή μπορείτε να εισάγετε οποιαδήποτε άλλη θετική τιμή,\n" #~ "για παράδειγμα 1 αν σκοπεύετε να χρησιμοποιήσετε το POV-Ray για να " #~ "παράξετε μια τετράγωνη εικόνα, όπως 1000x1000 εικονοστοιχεία." #~ msgid "Connect" #~ msgstr "Σύνδεση" #~ msgid "Disconnect" #~ msgstr "Αποσύνδεση" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Εντοπισμός Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Εντοπισμός κίνησης χρησιμοποιώντας απομακρυσμένα Wii" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Άκυρο περιεχόμενο OpenGL.\n" #~ "Ή κάτι κατέρρευσε πλήρως στη διαμόρφωση OpenGL (μπορείτε να εκτελέσετε " #~ "οποιαδήποτε εφαρμογή OpenGL;) ή βρήκατε ένα σφάλμα." #~ msgid "Debug Information" #~ msgstr "Πληροφορίες αποσφαλμάτωσης" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Μέγεθος προβολής: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "Προβολή μοντέλου γραμμή 1: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "Προβολή μοντέλου γραμμή 2: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "Προβολή μοντέλου γραμμή 3: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "Προβολή μοντέλου γραμμή 4: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Άτομα: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: ο δείκτης %1 είναι απροσπέλαστος." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Ο τύπος αρχείου '%1' δεν υποστηρίζεται για ανάγνωση." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Ο τύπος αρχείου για το αρχείο '%1' δεν υποστηρίζεται για ανάγνωση." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Αποτυχία ανάγνωσης του μορίου με δείκτη %1 από το αρχείο '%2'." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "Αντικατάσταση μορίου: ο δείκτης %1 εκτός ορίων." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Ο τύπος αρχείου '%1' δεν υποστηρίζεται για εγγραφή." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Ο τύπος αρχείου για το αρχείο '%1' δεν υποστηρίζεται για εγγραφή." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Αδύνατο το άνοιγμα του αρχείου '%1' για ανάγνωση." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Η αντικατάσταση του μορίου με δείκτη %1 στο αρχείο '%2' απέτυχε." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Το αρχείο %1 δεν μπορεί να ανοιχτεί για ανάγνωση." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Το αρχείο %1 δεν μπορεί να ανοιχτεί για εγγραφή." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Αποτυχία αποθήκευσης μοριακού αρχείου - αδύνατη η μετονομασία του αρχικού " #~ "αρχείου." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Αποτυχία αποθήκευσης μοριακού αρχείου - αδύνατη η μετονομασία του νέου " #~ "αρχείου." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Αποτυχία αποθήκευσης μοριακού αρχείου - αδύνατη η αφαίρεση του παλιού " #~ "αρχείου." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Αποτυχία εγγραφής του μορίου στο αρχείο '%1'. Αποτυχία της συνάρτησης " #~ "OpenBabel." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Το αρχείο %1 δεν μπορεί να ανοιχτεί για εγγραφή." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Αποτυχία εγγραφής διαμορφομερών στο αρχείο'%1'" #~ msgid "Molecule %1" #~ msgstr "Μόριο %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Άγνωστη μηχανή Python" #~ msgid "N/A" #~ msgstr "Μη διαθέσιμο" #~ msgid "PythonEngine: checking " #~ msgstr "Μηχανή Python: ελέγχεται " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - το σενάριο δεν έχει καμία ορισμένη κλάση 'Engine'" #~ msgid " - no module" #~ msgstr " - χωρίς άρθρωμα" #~ msgid "Unknown Python Extension" #~ msgstr "Άγνωστη επέκταση Python" #~ msgid "PythonExtension: checking " #~ msgstr "Επέκταση Python: ελέγχεται " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - το σενάριο δεν έχει καμία ορισμένη κλάση 'Extension'" #~ msgid "Unknown Python Tool" #~ msgstr "Άγνωστο εργαλείο Python" #~ msgid "PythonTool: checking " #~ msgstr "Εργαλείο Python: ελέγχεται " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - το σενάριο δεν έχει καμία ορισμένη κλάση 'Tool'" #~ msgid "Conformer %1" #~ msgstr "Διαμορφομερές %1" #~ msgid "Tools" #~ msgstr "Εργαλεία" #~ msgid "Align:" #~ msgstr "Στοίχιση:" #~ msgid "Everything" #~ msgstr "Όλα" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Εργαλείο αυτόματης βελτιστοποίησης\n" #~ "\n" #~ "Συναρτήσεις περιήγησης κατά το πάτημα σε κενό χώρο.\n" #~ "Αριστερό πλήκτρο: Περιστροφή χώρου\n" #~ "Μεσαίο πλήκτρο: Εστίαση χώρου\n" #~ "Δεξιό πλήκτρο: Μετακίνηση χώρου\n" #~ "Διπλό πάτημα: Επαναφορά προβολής\n" #~ "\n" #~ "Κατά την εκτέλεση:\n" #~ "Αριστερό πλήκτρο: Πάτημα και μετακίνηση ατόμων για τη μετακίνησή τους." #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "Αυτόματη βελτιστοποίηση: Αδύνατη η ρύθμιση του δυναμικού πεδίου...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Αριθμός περιορισμών: %1" #~ msgid "Steps per Update:" #~ msgstr "Βήματα ανά ενημέρωση:" #~ msgid "Algorithm:" #~ msgstr "Αλγόριθμος:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Μοριακή δυναμική (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Μοριακή δυναμική (900K)" #~ msgid "Start" #~ msgstr "Εκκίνηση" #~ msgid "Fixed atoms are movable" #~ msgstr "Τα σταθερά άτομα μπορούν να κινηθούν" #~ msgid "Ignored atoms are movable" #~ msgstr "Τα αγνοημένα άτομα μπορούν να κινηθούν" #~ msgid "AutoOpt Molecule" #~ msgstr "Μόριο αυτόματης βελτιστοποίησης" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Αυτόματη βελτιστοποίηση της μοριακής γεωμετρίας" #~ msgid "AutoOptimization Settings" #~ msgstr "Ρυθμίσεις αυτόματης βελτιστοποίησης" #~ msgid "Auto Rotation Tool" #~ msgstr "Εργαλείο αυτόματης περιστροφής" #~ msgid "x rotation:" #~ msgstr "περιστροφή x:" #~ msgid "x rotation" #~ msgstr "περιστροφή x" #~ msgid "y rotation:" #~ msgstr "περιστροφή y:" #~ msgid "y rotation" #~ msgstr "περιστροφή y" #~ msgid "z rotation:" #~ msgstr "περιστροφή z:" #~ msgid "z rotation" #~ msgstr "περιστροφή z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Αυτόματη περιστροφή μορίων" #~ msgid "AutoRotate Settings" #~ msgstr "Ρυθμίσεις αυτόματης περιστροφής" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Μήκος δεσμού: %L1" #~ msgid " Show Angles" #~ msgstr " Εμφάνιση γωνιών" #~ msgid "Snap-to Threshold: " #~ msgstr "Κατώφλι προσαρμογής: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Χειρισμός κεντρικού δεσμού" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Χειρισμός μηκών, γωνιών και στρέψεων δεσμού" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Ρυθμίσεις χειρισμού κεντρικού δεσμού" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Απόσταση (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Απόσταση (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Δίεδρη γωνία: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Αποστάσεις:" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Μέτρηση μηκών δεσμού, γωνιών και διέδρων" #~ msgid "Draw Bond" #~ msgstr "Σχεδίαση δεσμού" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Σχεδίαση και επεξεργασία ατόμων και δεσμών" #~ msgid "Draw Settings" #~ msgstr "Ρυθμίσεις σχεδίασης" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Μετακίνηση, περιστροφή και προσαρμογή ατόμων και τμημάτων" #~ msgid "Manipulate Settings" #~ msgstr "Ρυθμίσεις χειρισμού" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Μετακίνηση, περιστροφή και εστίαση γύρω από την τρέχουσα προβολή" #~ msgid "Navigate Settings" #~ msgstr "Ρυθμίσεις περιήγησης" #~ msgid "Selection Mode:" #~ msgstr "Λειτουργία επιλογής:" #~ msgid "Atom/Bond" #~ msgstr "Άτομο/Δεσμός" #~ msgid "Residue" #~ msgstr "Υπόλοιπο" #~ msgid "Add Center of Atoms" #~ msgstr "Προσθήκη κέντρου ατόμων" #~ msgid "Change color of the atom" #~ msgstr "Αλλαγή χρώματος του ατόμου" #~ msgid "Change label of the atom" #~ msgstr "Αλλαγή ετικέτας του ατόμου" #~ msgid "Change label of the bond" #~ msgstr "Αλλαγή ετικέτας του δεσμού" #~ msgid "Change radius of the atom" #~ msgstr "Αλλαγή ακτίνας του ατόμου" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Νέα ακτίνα, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Επιλέξτε άτομα, υπόλοιπα και μόρια" #~ msgid "Symbol" #~ msgstr "Σύμβολο" #~ msgid "Bond Length" #~ msgstr "Μήκος δεσμού" #~ msgid "Dihedral Angle" #~ msgstr "Δίεδρη γωνία" #~ msgid "Z Matrix Editor..." #~ msgstr "Επεξεργαστής πίνακα Z..." #~ msgid "Z-Matrix" #~ msgstr "Πίνακας Ζ" #~ msgid "Create/edit a z-matrix" #~ msgstr "Δημιουργία/επεξεργασία ενός πίνακα z" #~ msgid "Z-Matrix Settings" #~ msgstr "Ρυθμίσεις πίνακα Z" #~ msgid "Color residues by:" #~ msgstr "Υπόλοιπα χρώματος κατά:" #~ msgid "Hydrophobicity" #~ msgstr "Υδροφοβία" #~ msgid "Axes:" #~ msgstr "Άξονες:" #~ msgid "Cartesian Axes" #~ msgstr "Καρτεσιανοί άξονες" #~ msgid "Orthogonal Axes" #~ msgstr "Ορθογώνιοι άξονες" #~ msgid "Axis 1:" #~ msgstr "Άξονας 1:" #~ msgid "Axis 2:" #~ msgstr "Άξονας 2:" #~ msgid "Axis 3:" #~ msgstr "Άξονας 3:" #~ msgid "Origin:" #~ msgstr "Αρχικό:" #~ msgid "Norm" #~ msgstr "Νόρμα" #~ msgid "Preserve vector norms" #~ msgstr "Διατήρηση διανυσματικών νορμών" #~ msgid "Atom Radius:" #~ msgstr "Ακτίνα ατόμου:" #~ msgid "Bond Radius:" #~ msgstr "Ακτίνα δεσμού:" #~ msgid "Shape" #~ msgstr "Σχήμα" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Βρόχος" #~ msgid "Dipole:" #~ msgstr "Δίπολο:" #~ msgid "Custom Vector" #~ msgstr "Προσαρμοσμένο διάνυσμα" #~ msgid "Custom:" #~ msgstr "Προσαρμοσμένο:" #~ msgid "Cut-off radius:" #~ msgstr "Ακτίνα αποκοπής:" #~ msgid "Cut-off angle:" #~ msgstr "Γωνία αποκοπής:" #~ msgid "Rendering Engine:" #~ msgstr "Απόδοση μηχανής:" #~ msgid "TextRenderer" #~ msgstr "Απόδοση κειμένου" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Κείμενο:" #~ msgid "Symbol & Number in Group" #~ msgstr "Σύμβολο & αριθμός σε ομάδα" #~ msgid "Symbol & Atom number" #~ msgstr "Σύμβολο & ατομικός αριθμός" #~ msgid "Partial charge" #~ msgstr "Μερικό φορτίο" #~ msgid "Residue number" #~ msgstr "Αριθμός υπολοίπου" #~ msgid "Custom data" #~ msgstr "Προσαρμοσμένα δεδομένα" #~ msgid "Change Font" #~ msgstr "Αλλαγή γραμματοσειράς" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Μετατόπιση ετικέτας:" #~ msgid "Bond length" #~ msgstr "Μήκος δεσμού" #~ msgid "Bond number" #~ msgstr "Αριθμός δεσμού" #~ msgid "Bond order" #~ msgstr "Τάξη δεσμού" #~ msgid "Lines" #~ msgstr "Γραμμές" #~ msgid "Radius:" #~ msgstr "Ακτίνα:" #~ msgid "Include Nitrogens" #~ msgstr "Συμπερίληψη αζώτων" #~ msgid "VdW Opacity:" #~ msgstr "Αδιαφάνεια VdW:" #~ msgid "Orbital:" #~ msgstr "Τροχιακό:" #~ msgid "Render:" #~ msgstr "Απόδοση:" #~ msgid "Fill" #~ msgstr "Συμπλήρωση" #~ msgid "Points" #~ msgstr "Σημεία" #~ msgid "Draw Box:" #~ msgstr "Πλαίσιο σχεδίασης:" #~ msgid "Style:" #~ msgstr "Τεχνοτροπία:" #~ msgid "Mapped Colors" #~ msgstr "Αντιστοιχισμένα χρώματα" #~ msgid "Positive" #~ msgstr "Θετικό" #~ msgid "Negative" #~ msgstr "Αρνητικό" #~ msgid "Show Atoms" #~ msgstr "Εμφάνιση ατόμων" #~ msgid "Animate Trajectory" #~ msgstr "Παραγωγή τροχιάς" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Βρόχος" #~ msgid "Save as .avi..." #~ msgstr "Αποθήκευση ως .avi..." #~ msgid "Angstroms" #~ msgstr "Ανγκστρομς" #~ msgid "Bohrs" #~ msgstr "Μπορς" #~ msgid "Fractional" #~ msgstr "Κλασματικός" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, μόνο συντεταγμένες" #~ msgid "GAMESS Input #2" #~ msgstr "Είσοδος GAMESS #2" #~ msgid "Priroda Input" #~ msgstr "Είσοδος Priroda" #~ msgid "Apply Changes" #~ msgstr "Εφαρμογή αλλαγών" #~ msgid "Cut All" #~ msgstr "Αποκοπή Όλων" #~ msgid "Paste to the End" #~ msgstr "Επικόλληση στο Τέλος" #~ msgid "" #~ "\n" #~ "\n" #~ "

      Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

      " #~ msgstr "" #~ "\n" #~ "\n" #~ "

      Επικόλληση ή " #~ "επεξεργασία ατομικών συντεταγμένων εδώ. Μπορείτε να επικολλήσετε σχεδόν " #~ "κάθε τμήμα κειμένου, που περιέχει συντεταγμένες

      " #~ msgid "(None)" #~ msgstr "(Κανένα)" #~ msgid "Sort by " #~ msgstr "Ταξινόμηση κατά " #~ msgid "Number of atoms:" #~ msgstr "Αριθμός ατόμων:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Αριθμός περιστρέψιμων δεσμών:" #~ msgid "Add Constraints" #~ msgstr "Προσθήκη περιορισμών" #~ msgid "Ignore Atom" #~ msgstr "Παράβλεψη ατόμου" #~ msgid "Fix Atom" #~ msgstr "Ορισμός ατόμου" #~ msgid "Fix Atom X" #~ msgstr "Ορισμός ατόμου Χ" #~ msgid "Fix Atom Y" #~ msgstr "Ορισμός ατόμου Υ" #~ msgid "Fix Atom Z" #~ msgstr "Ορισμός ατόμου Ζ" #~ msgid "Torsion angle" #~ msgstr "Γωνία στρέψης" #~ msgid "Add" #~ msgstr "Προσθήκη" #~ msgid "Save" #~ msgstr "Αποθήκευση" #~ msgid "Load" #~ msgstr "Φόρτωση" #~ msgid "Atomic &identites:" #~ msgstr "Ατομικές &ταυτότητες:" #~ msgid "Surface Slab Builder" #~ msgstr "Κατασκευαστής πλάκας επιφάνειας" #~ msgid "Plane:" #~ msgstr "Επίπεδο:" #~ msgid "&Miller Indices:" #~ msgstr "Δείκτες &Μίλερ:" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Προειδοποίηση: Χρησιμοποιήστε μη μηδενικούς δείκτες Μίλερ" #~ msgid "Width (x)" #~ msgstr "Πλάτος (x)" #~ msgid "Width (y)" #~ msgstr "Πλάτος (y)" #~ msgid "Height (z)" #~ msgstr "Ύψος (z)" #~ msgid "length" #~ msgstr "μήκος" #~ msgid "cell repeats" #~ msgstr "επαναλήψεις κελιού" #~ msgid "&Translate " #~ msgstr "&Μετακίνηση " #~ msgid "by arbitrary vector" #~ msgstr "κατά τυχαίο διάνυσμα" #~ msgid "selected atom to unit cell center" #~ msgstr "το επιλεγμένο άτομο στο κέντρο της μοναδιαίας κυψελίδας" #~ msgid "Translation vector:" #~ msgstr "Διάνυσμα μετακίνησης:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "Μονάδες &διανύσματος:" #~ msgid "Cartesian" #~ msgstr "Καρτεσιανές" #~ msgid "&Translate" #~ msgstr "&Μετακίνηση" #~ msgid "Crystal View Options" #~ msgstr "Επιλογές προβολής κρυστάλλου" #~ msgid "Unit Cell Repeats:" #~ msgstr "Επαναλήψεις μοναδιαίας κυψελίδας:" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Να σχεδιαστούν οι μοναδιαίες κυψελίδες" #~ msgid "One" #~ msgstr "Ένα" #~ msgid "All" #~ msgstr "Όλα" #~ msgid "Color..." #~ msgstr "Χρώμα..." #~ msgid "View Along:" #~ msgstr "Προβολή με:" #~ msgid "Default View" #~ msgstr "Προεπιλεγμένη προβολή" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Δείκτες Μίλερ" #~ msgid "File Import..." #~ msgstr "Εισαγωγή αρχείου..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Να γίνει προσπάθεια κατανόησης των δεσμών;" #~ msgid "Setup Force Field" #~ msgstr "Ρύθμιση δυναμικού πεδίου" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Αριθμός βημάτων" #~ msgid "Algorithm" #~ msgstr "Αλγόριθμος" #~ msgid "Alanine" #~ msgstr "Αλανίνη" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Αργινίνη" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Ασπαραγίνη" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "Ασπαρτικό Οξύ" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Κυστεΐνη" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "Γλουταμικό Οξύ" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Γλουταμίνη" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Γλυκίνη" #~ msgid "Gly" #~ msgstr "Gly" #~ msgid "Histidine" #~ msgstr "Ιστιδίνη" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "Ισολευκίνη" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Valine" #~ msgstr "Βαλίνη" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyrosine" #~ msgstr "Τυροσίνη" #~ msgid "Tyr" #~ msgstr "Tyr" #~ msgid "Tryptophan" #~ msgstr "Τρυπτοφάνη" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "Θρεονίνη" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "Σερίνη" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Προλίνη" #~ msgid "Phenylalanine" #~ msgstr "Φαινυλαλανίνη" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "Μεθειονίνη" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Λυσίνη" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "Λευκίνη" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "Αλληλουχία (Ν προς C):" #~ msgid "Stereochemistry:" #~ msgstr "Στερεοχημεία:" #~ msgid "L" #~ msgstr "ΑΡ" #~ msgid "N Terminus:" #~ msgstr "Τέλος Ν:" #~ msgid "C Terminus:" #~ msgstr "Τέλος C:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Straight Chain" #~ msgstr "Ευθεία αλυσίδα" #~ msgid "Alpha Helix" #~ msgstr "Άλφα έλικα" #~ msgid "Beta Sheet" #~ msgstr "φύλλο βήτα" #~ msgid "Pi Helix" #~ msgstr "Έλικας πι" #~ msgid "Phi:" #~ msgstr "Φι:" #~ msgid "Psi:" #~ msgstr "Ψι:" #~ msgid "Chain Number:" #~ msgstr "Αριθμός αλυσίδας:" #~ msgid "The chain number for the new peptide" #~ msgstr "Ο αριθμός αλυσίδας για το νέο πεπτίδιο" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Αριθμός υπολοίπων:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Ενέργεια (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Ροπή διπόλου (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Προχωρημένη" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "Grid" #~ msgstr "Πλέγμα" #~ msgid "POV-Ray Export" #~ msgstr "Εξαγωγή POV-Ray" #~ msgid "Select..." #~ msgstr "Επιλογή..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Χρήση πλήρους εξομάλυνσης σκηνής" #~ msgid "Antialias" #~ msgstr "Εξομάλυνση" #~ msgid "Set the background color to be transparent" #~ msgstr "Ορισμός του χρώματος παρασκηνίου σε διαφανές" #~ msgid "Alpha transparency" #~ msgstr "Διαφάνεια άλφα" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Απόδοση του μορίου άμεσα χρησιμοποιώντας τη γραμμή εντολών POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Διατήρηση της πηγής POV-Ray μετά την ολοκλήρωση της απόδοσης" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Διατήρηση της πηγής POV-Ray μετά την απόδοση" #~ msgid "Path:" #~ msgstr "Διαδρομή:" #~ msgid "Abinit Input" #~ msgstr "Είσοδος Abinit" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Καρτεσιανή (άνγκστρομ)" #~ msgid "Reduced" #~ msgstr "Αναγμένο" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Αποκοπή επιπέδου κύματος (Ha):" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Ανοχή στις δυνάμεις (Ha/bohr):" #~ msgid "Max lattice expansion:" #~ msgstr "Μέγιστη επέκταση πλέγματος:" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "μετατόπιση σημείου k:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Αριθμός ζωνών:" #~ msgid "# k-point shifts:" #~ msgstr "# Μετατοπίσεις σημείου k:" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "Αποκοπή PW διπλού πλέγματος (Ha):" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Σχήμα κατάληψης:" #~ msgid "Wave Function norm" #~ msgstr "Νόρμα συνάρτησης κύματος" #~ msgid "Total Potential" #~ msgstr "Συνολικό δυναμικό" #~ msgid "Relative Force" #~ msgstr "Σχετική δύναμη" #~ msgid "1 - semiconducting" #~ msgstr "1 - ημιαγωγό" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Φέρμι Ντιράκ" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - Ψυχρή επάλειψη (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 - Επάλειψη Γκάους" #~ msgid "Smearing width (Ha):" #~ msgstr "Πλάτος επάλειψης (Ha):" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - χωρίς ιόντα μετακίνησης " #~ msgid "1 - viscous damping" #~ msgstr "1 - ιξώδης απόσβεση" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS με ενέργεια" #~ msgid "# Geometrical time steps:" #~ msgstr "# Γεωμετρικά βήματα χρόνου:" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Εξομάλυνση κινητικής ενέργειας (Ha):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Υπολογίζεται..." #~ msgid "Dalton Input" #~ msgstr "Είσοδος Ντάλτον" #~ msgid "Basics" #~ msgstr "Βασικά" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Προσθέτει ό,τι πληκτρολογείτε στη γραμμή τίτλου του αρχείου εισόδου για\n" #~ "τους δικούς σας σκοπούς πληροφόρησης." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Τεχνοτροπία Pople" #~ msgid "Jensen's polarization consistent" #~ msgstr "Ομοιόμορφη πόλωση Γιένσεν" #~ msgid "Dunning's correlation consistent" #~ msgstr "Ομοιόμορφη συσχέτιση Dunning" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Συναρτήσεις συσχέτισης πυρήνα" #~ msgid "Diffuse functions" #~ msgstr "Συναρτήσεις διάχυσης" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Άμεση" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Παράλληλη εκτέλεση όπου είναι δυνατό. Αυτό είναι δυνατό μόνο για SCF\n" #~ "κυματοσυναρτήσεις και υπολογισμούς DFT. Το Ντάλτον υποστηρίζει μόνο MPI\n" #~ "στην τρέχουσα έκδοση και πρέπει να μεταγλωττιστεί και να εγκατασταθεί\n" #~ "σωστά. Ο αριθμός των κόμβων ορίζεται χρησιμοποιώντας την επιλογή \"-N #\" " #~ "κατά την εκτέλεση του σεναρίου \"dalton\"." #~ msgid "Parallel" #~ msgstr "Παράλληλα" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Προδιαγραφή πλέγματος" #~ msgid "Partitioning Scheme:" #~ msgstr "Σχήμα διαμέρισης:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (αρχικό)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Ποιότητα πλέγματος:" #~ msgid "coarse" #~ msgstr "χονδρική" #~ msgid "normal" #~ msgstr "κανονική" #~ msgid "fine" #~ msgstr "λεπτομερής" #~ msgid "ultrafine" #~ msgstr "πολύ λεπτομερής" #~ msgid "Radial Scheme:" #~ msgstr "Ακτινικό σχήμα:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Εμφάνιση όλων των συναρτήσεων" #~ msgid "Property:" #~ msgstr "Ιδιότητα:" #~ msgid "Polarizability" #~ msgstr "Πολωσιμότητα" #~ msgid "Frequency Dependent" #~ msgstr "Εξαρτημένη συχνότητα" #~ msgid "No. excitations:" #~ msgstr "Αριθμός διεγέρσεων:" #~ msgid "EFP Matches" #~ msgstr "Συμφωνίες EFP" #~ msgid "Group Label:" #~ msgstr "Ετικέτα ομάδας:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Προχωρημένη ρύθμιση" #~ msgid "Hessian" #~ msgstr "Hessian" #~ msgid "Stat Point" #~ msgstr "Στατιστικό σημείο" #~ msgid "System" #~ msgstr "Σύστημα" #~ msgid "MO Guess" #~ msgstr "Πρόβλεψη μοριακών τροχιακών" #~ msgid "Misc" #~ msgstr "Διάφορα" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Συναρτήσεις πόλωσης βαρέως ατόμου:" #~ msgid "Read" #~ msgstr "Ανάγνωση" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Διάχυση φλοιού S σε βαριά άτομα" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Διάχυση φλοιού L σε βαριά άτομα" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Διπλό σθένος ζήτα" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Τριπλό σθένος ζήτα" #~ msgid "SBKJA Valence" #~ msgstr "Σθένος SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "Σθένος Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Τύπος ECP:" #~ msgid "Default" #~ msgstr "Προεπιλογή" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Συναρτήσεις πόλωσης βαρέως ατόμου:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#Συναρτήσεις πόλωσης ελαφριού ατόμου:" #~ msgid "Polar:" #~ msgstr "Πολική:" #~ msgid "Max SCF Iterations:" #~ msgstr "Μέγιστες επαναλήψεις SCF:" #~ msgid "Gradient" #~ msgstr "Βαθμίδα" #~ msgid "Trudge" #~ msgstr "Σύρσιμο" #~ msgid "Saddle Point" #~ msgstr "Σαγματικό σημείο" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Ακρότατο βαθμίδας" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Μοροκούμα" #~ msgid "Radiative Transition mom." #~ msgstr "mom. μετάπτωσης ακτινοβολίας" #~ msgid "Spin Orbit" #~ msgstr "Τροχιά ιδιοστροφορμής" #~ msgid "Finite Electric Field" #~ msgstr "Πεπερασμένο ηλεκτρικό πεδίο" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Γενική βελτιστοποίηση" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Βελτιστοποίηση FMO" #~ msgid "Raman Intensities" #~ msgstr "Εντάσεις Ράμαν" #~ msgid "Make EFP" #~ msgstr "Δημιουργία EFP" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Κανένα (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Τύπος SCF:" #~ msgid "Localization Method:" #~ msgstr "Μέθοδος τοπικοποίησης:" #~ msgid "Exec Type:" #~ msgstr "Τύπος εκτέλεσης:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ορίζουσα Ames Lab." #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Περιορισμένη κατάληψη πολλαπλού ενεργού χώρου" #~ msgid "CI Singles" #~ msgstr "Απλές CI" #~ msgid "Full Second Order CI" #~ msgstr "Πλήρης δεύτερης τάξης CI" #~ msgid "General CI" #~ msgstr "Γενική CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Γραμμικοποιημένα CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC με διπλές" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC με απλές και διπλές" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Κανονική εκτέλεση" #~ msgid "Check" #~ msgstr "Έλεγχος" #~ msgid "Debug" #~ msgstr "Αποσφαλμάτωση" #~ msgid "Molecule Charge:" #~ msgstr "Φορτίο μορίου:" #~ msgid "Run Type:" #~ msgstr "Τύπος εκτέλεσης:" #~ msgid "Use MP2" #~ msgstr "Χρήση MP2" #~ msgid "Use DFT" #~ msgstr "Χρήση DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# των μεταβλητών πίνακα Z" #~ msgid "Ǻngstrom" #~ msgstr "Ανγκστρομ" #~ msgid "Order of Principal Axis:" #~ msgstr "Σειρά του κύριου άξονα:" #~ msgid "Coordinate Type:" #~ msgstr "Τύπος συντεταγμένων:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Μοναδικές καρτεσιανές συντεταγμένες." #~ msgid "Hilderbrant internals" #~ msgstr "Εσωτερικά Hilderbrant" #~ msgid "MOPAC Z-Matrix" #~ msgstr "Πίνακας Ζ MOPAC" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Χρήση συμμετρίας κατά τη διάρκεια του υπολογισμού" #~ msgid "Point Group:" #~ msgstr "Ομάδα σημείων:" #~ msgid "Minutes" #~ msgstr "Λεπτά" #~ msgid "Hours" #~ msgstr "Ώρες" #~ msgid "Days" #~ msgstr "Ημέρες" #~ msgid "Weeks" #~ msgstr "Εβδομάδες" #~ msgid "Years" #~ msgstr "Έτη" #~ msgid "Millenia" #~ msgstr "Χιλιετίες" #~ msgid "MegaWords" #~ msgstr "MegaWords" #~ msgid "MegaBytes" #~ msgstr "MegaBytes" #~ msgid "GigaWords" #~ msgstr "GigaWords" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Εξαναγκασμός παράλληλων μεθόδων" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Παραγωγή αρχείου \"πυρήνα\" κατά την διακοπή" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Μνήμη:" #~ msgid "Diagonalization Method:" #~ msgstr "Μέθοδος διαγωνοποίησης:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Τύπος ισορροπίας παράλληλου φορτίου" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Βρόχος" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Επόμενη τιμή" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Χρήση εξωτερικής αναπαράστασης δεδομένων για μηνύματα" #~ msgid "Initial Guess:" #~ msgstr "Αρχική πρόβλεψη:" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "Ανάγνωση μοριακών τροχιακών ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "Αποθηκευμένα μοριακά τροχιακά (DICTNRY)" #~ msgid "Skip" #~ msgstr "Παράλειψη" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "περιστροφή τροχιακών άλφα και βήτα" #~ msgid "Print the Initial Guess" #~ msgstr "Εκτύπωση αρχικής πρόβλεψης" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Διεπαφή GAMESS σε άλλους κώδικες" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Εξαναγκασμός ελέγχου τύπου εκτέλεσης" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (Έκδοση UK)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussian 9x" #~ msgid "Solvate with Water" #~ msgstr "Επιδιαλυτωμένο με νερό" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Δημιουργία φυσικών τροχιακών UHF" #~ msgid "Direct SCF" #~ msgstr "Άμεσο SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Να υπολογίζονται μόνο τα αλλαγμένα στον πίνακα Fock" #~ msgid "Slater exchange" #~ msgstr "Ανταλλαγή Slater" #~ msgid "Becke 1988 exchange" #~ msgstr "Ανταλλαγή Becke 1988" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Συσχέτιση Vosko-Wilk-Nusair (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Συσχέτιση Lee-Yang-Parr" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Ανταλλαγή Slater + Συσχέτιση VWN" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: Ανταλλαγή BECKE + Συσχέτιση VWN5" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: Ανταλλαγή BECKE+ Συσχέτιση LYP" #~ msgid "Gill 1996 exchange" #~ msgstr "Ανταλλαγή Gill 1996" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Ανταλλαγή Perdew-Burke-Ernzerhof (PBE)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: Σταδιακή συσχέτιση μιας παραμέτρου" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Συσχέτιση Lee-Yang-Parr (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + Συσχέτιση OP" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: Ανταλλαγή BECKE + Συσχέτιση OP" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: Ανταλλαγή GILL + Συσχέτιση VWN5" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: Ανταλλαγή GILL + Συσχέτιση LYP" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: Ανταλλαγή PBE + Συσχέτιση VWN6" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: Ανταλλαγή PBE + Συσχέτιση LYP" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: Ανταλλαγή PBE + Συσχέτιση OP" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: Ανταλλαγή HF και BECKE + Συσχέτιση LYP" #~ msgid "Grid-Free" #~ msgstr "Χωρίς πλέγμα" #~ msgid "AO Integral Storage" #~ msgstr "Αποθήκευση ολοκληρώματος AO" #~ msgid "Duplicated on Each Node" #~ msgstr "Διπλό σε κάθε κόμβο" #~ msgid "Distributed Across All Nodes" #~ msgstr "Διανεμημένο μέσα από όλους τους κόμβους" #~ msgid "words" #~ msgstr "λέξεις" #~ msgid "Compute MP2 Properties" #~ msgstr "Υπολογισμός ιδιοτήτων MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Αποκοπή ανάσχεσης ολοκληρώματος:" #~ msgid "Use Localized Orbitals" #~ msgstr "Χρήση τοπικών τροχιακών" #~ msgid "# of Core Electrons:" #~ msgstr "# από πυρήνα ηλεκτρονίων" #~ msgid "Transformation Method" #~ msgstr "Μέθοδος μετασχηματισμού" #~ msgid "Two Phase Bin Sort" #~ msgstr "Δυαδική ταξινόμηση δύο φάσεων" #~ msgid "Segmented Transformation" #~ msgstr "Τμηματικός μετασχηματισμός" #~ msgid "Numeric" #~ msgstr "Αριθμητική" #~ msgid "Double Differenced Hessian" #~ msgstr "Διπλά παραγωγισμένος Hessian" #~ msgid "Print Internal Force Constants" #~ msgstr "Εκτύπωση εσωτερικών σταθερών δύναμης" #~ msgid "Displacement Size:" #~ msgstr "Μέγεθος μετατόπισης:" #~ msgid "Purify Hessian" #~ msgstr "Καθαρισμός Hessian" #~ msgid "bohrs" #~ msgstr "μπορς" #~ msgid "Initial Hessian" #~ msgstr "Αρχικό Hessian" #~ msgid "Guess (+ define)" #~ msgstr "Πρόβλεψη (+ορισμός)" #~ msgid "Read (from $HESS)" #~ msgstr "Ανάγνωση (από $HESS)" #~ msgid "Update Step Size" #~ msgstr "Μέγεθος βήματος ενημέρωσης" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Εκτύπωση τροχιακών σε κάθε επανάληψη" #~ msgid "Stationary Point" #~ msgstr "Στατικό σημείο" #~ msgid "Initial:" #~ msgstr "Αρχικά:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Βελτιστοποίηση ρητής συνάρτησης" #~ msgid "Quadratic Approximation" #~ msgstr "Δευτεροβάθμια προσέγγιση" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (σχεδόν-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Περιορισμένη βελτιστοποίηση" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Επανυπολογισμός του Hesse κάθε:" #~ msgid "Follow Mode:" #~ msgstr "Κατάσταση παρακολούθησης:" #~ msgid "GAMESS-UK Input" #~ msgstr "Είσοδος GAMESS-UK" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Η είσοδος GAMESS-UK που δημιουργήθηκε από το Avogadro" #~ msgid "Transition State Search" #~ msgstr "Αναζήτηση κατάστασης μετάβασης" #~ msgid "Basis:" #~ msgstr "Βάση:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Πίνακας Ζ" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "Στην άμεση κατάσταση, τα ολοκληρώματα δεν αποθηκεύονται στον δίσκο, αλλά " #~ "επανυπολογίζονται όταν χρειάζεται.\n" #~ "Στα σύγχρονα συστήματα με γρήγορους επεξεργαστές και αργούς δίσκους, η " #~ "άμεση κατάσταση είναι συχνά γρηγορότερη." #~ msgid "Run in direct mode:" #~ msgstr "Εκτέλεση σε άμεση κατάσταση:" #~ msgid "Gaussian Input" #~ msgstr "Εισαγωγή Γκάους" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Τυπικό" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Σημείο ελέγχου:" #~ msgid "Z-matrix (compact)" #~ msgstr "Πίνακας Ζ (συμπαγής)" #~ msgid "MOLPRO Input" #~ msgstr "Είσοδος MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Έκδοση Molpro:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "Είσοδος MOPAC" #~ msgid "Quartet" #~ msgstr "Τετραπλή" #~ msgid "Quintet" #~ msgstr "Πενταπλή" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Είσοδος NWChem" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Είσοδος Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "Είσοδος TeraChem" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Απεριόριστο" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "όχι" #~ msgid "yes" #~ msgstr "ναι" #~ msgid "D2" #~ msgstr "D2" #~ msgid "D3" #~ msgstr "D3" #~ msgid "Dispersion:" #~ msgstr "Διασπορά:" #~ msgid "Load Shaders" #~ msgstr "Φόρτωση σκιαστών" #~ msgid "Shader Name:" #~ msgstr "Όνομα σκιαστή:" #~ msgid "Vertex Shader:" #~ msgstr "Σκιαστής κορυφής:" #~ msgid "Fragment Shader:" #~ msgstr "Σκιαστής τμήματος:" #~ msgid "Assign Shader" #~ msgstr "Ανάθεση σκιαστή" #~ msgid "Display Type:" #~ msgstr "Τύπος εμφάνισης:" #~ msgid "Font:" #~ msgstr "Γραμματοσειρά:" #~ msgid "Change Font..." #~ msgstr "Αλλαγή γραμματοσειράς..." #~ msgid "Foreground:" #~ msgstr "Προσκήνιο:" #~ msgid "New..." #~ msgstr "Νέο..." #~ msgid "Rename..." #~ msgstr "Μετονομασία..." #~ msgid "&Schemes:" #~ msgstr "&Σχήματα:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Πλάτος:" #~ msgid "&Height" #~ msgstr "Ύ&ψος" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "ιν" #~ msgid "px" #~ msgstr "px" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Χρήση μιας βελτιστοποιημένης τιμής για το μέγεθος γραμματοσειράς αντί για " #~ "το σχήμα-καθορισμένη τιμή (η οθόνη προς τα μεγέθη σημείου εικόνας δεν " #~ "μεταφέρονται καλά!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Αυτόματη προσαρμογή μεγέθους &γραμματοσειράς" #~ msgid "Spectra Tab" #~ msgstr "Καρτέλα φασμάτων" #~ msgid "&Gaussian Width:" #~ msgstr "Πλάτος Γ&κάους" #~ msgid "&Label peaks" #~ msgstr "Κορυφές ε&τικέτας" #~ msgid "Rotatory Strength type:" #~ msgstr "Τύπος δύναμης περιστροφής:" #~ msgid "Energy units:" #~ msgstr "Μονάδες Ενέργειας:" #~ msgid "Density units" #~ msgstr "Μονάδες πυκνότητας" #~ msgid "Fermi Energy: " #~ msgstr "Ενέργεια Φέρμι: " #~ msgid "States / Cell" #~ msgstr "Καταστάσεις / κελί" #~ msgid "States / Atom" #~ msgstr "Καταστάσεις / άτομο" #~ msgid "States / Valence electron" #~ msgstr "Καταστάσεις / ηλεκτρονικό σθένος" #~ msgid "Fermi energy at zero" #~ msgstr "Ενέργεια Φέρμι στο μηδέν" #~ msgid "Scale integrated DOS" #~ msgstr "Κλιμάκωση ολοκληρωμένου DOS" #~ msgid "Show integrated DOS" #~ msgstr "Εμφάνιση ενσωματωμένου DOS" #~ msgid "tab_IR_Raman" #~ msgstr "καρτέλα IR Ράμαν" #~ msgid "&Y Axis Units:" #~ msgstr "Μονάδες άξονα &Υ:" #~ msgid "Scaling Type:" #~ msgstr "Τύπος κλιμάκωσης:" #~ msgid "Relative" #~ msgstr "Σχετικός" #~ msgid "Laser Wavenumber:" #~ msgstr "Κυματαριθμός λέιζερ" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "καρτέλα NMR" #~ msgid "Nucleus:" #~ msgstr "Πυρήνας:" #~ msgid "Gaussian &Width:" #~ msgstr "&Πλάτος Γκάους:" #~ msgid "Reset &Plot Axes" #~ msgstr "Επαναφορά αξόνων &σχεδίου" #~ msgid "Label Peaks:" #~ msgstr "Κορυφές ετικέτας:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Μοριακές δονήσεις" #~ msgid "Filter: " #~ msgstr "Φίλτρο: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Ενεργότητα (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "Ε&μφάνιση φασμάτων..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "δονήσεις μεγαλύτερης συχνότητας θα εμφανίσουν γρηγορότερη κίνηση" #~ msgid "Animation speed set by frequency" #~ msgstr "Η ταχύτητα κίνησης ορίστηκε από τη συχνότητα" #~ msgid "Display force &vectors" #~ msgstr "Εμφάνιση &διανυσμάτων δύναμης" #~ msgid "&Normalize displacements" #~ msgstr "&Κανονικοποίηση μετατοπίσεων" #~ msgid "&Recalculate All" #~ msgstr "Επα&νυπολογισμός όλων" #~ msgid "Default &Quality:" #~ msgstr "Προεπιλεγμένη &ποιότητα:" #~ msgid "Show occupied orbitals first" #~ msgstr "Εμφάνιση πρώτα κατειλημμένων τροχιακών" #~ msgid "Limit orbital precalculations to " #~ msgstr "Να περιορίζονται οι προϋπολογισμοί τροχιακού σε " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "τροχιακά γύρω από HOMO/LUMO" #~ msgid "Surface Type:" #~ msgstr "Τύπος επιφάνειας:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Χαμηλή" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Μεσαία" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Υψηλή" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Πολύ υψηλή" #~ msgid "Isosurface cutoff value" #~ msgstr "Τιμή αποκοπής ισοεπιφάνειας" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Προσθήκη στον τύπο εμφάνισης:" #~ msgid "New Display" #~ msgstr "Νέα εμφάνιση" #~ msgid "Advanced..." #~ msgstr "Για Προχωρημένους..." #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "&Μήκος:" #~ msgid "Uni&t:" #~ msgstr "Μ&ονάδα:" #~ msgid "periodic units" #~ msgstr "περιοδικές μονάδες" #~ msgid "angstrom" #~ msgstr "ανγκστρομ" #~ msgid "bohr radii" #~ msgstr "ακτίνες μπορ" #~ msgid "nanometers" #~ msgstr "νανόμετρα" #~ msgid "&Cap with hydrogen" #~ msgstr "Ά&κρο με υδρογόνο" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "Αυτό μπορεί να πάρει κάμποσο. Αν μόνο οι ατομικές συντεταγμένες\n" #~ "απαιτούνται (ας πούμε, για έναν κβαντομηχανικό υπολογισμό),\n" #~ "μια απεικόνιση με μόνο έναν απλό δεσμό πρέπει να αρκεί." #~ msgid "Find &double bonds" #~ msgstr "Εύρεση &διπλών δεσμών" #~ msgid "Display visual cues" #~ msgstr "Εμφάνιση οπτικών ενδείξεων" #~ msgid "Python Settings" #~ msgstr "Ρυθμίσεις Python" #~ msgid "Z Matrix Editor" #~ msgstr "Επεξεργαστής μητρώου Z" avogadrolibs-1.100.0/i18n/en_AU.po000066400000000000000000013244621474375334400164650ustar00rootroot00000000000000# English (United Kingdom) translation for avogadro # Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 # This file is distributed under the same licence as the avogadro package. # My Random Thoughts , 2021. # J. Lavoie , 2021. # ovari , 2022. # Geoff Hutchison , 2023. # matterhorn103 , 2023. # Eisuke Kawashima , 2024. msgid "" msgstr "" "Project-Id-Version: _avogadro-en_GB\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2024-11-24 19:35+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: English (Australia) \n" "Language: en_AU\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.9-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Batch Job #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "No message specified." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "Non-string warning returned." #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "'warnings' member is not an array." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Reference file '%1' does not exist." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "Error populating file %1: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Malformed file entry at index %1: Not an object." #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "'files' member not an array." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "'files' member missing." #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "'mainFile' member does not refer to an entry in 'files'." #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "'mainFile' member must be a string." #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "Response must be a JSON object at top-level." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Script output:\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Error saving molecule representation to string: Unrecognized file format: %1" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Error saving molecule representation to string: %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "Input Generator (error)" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "%1 Input Generator" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Continue" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Close" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Unknown" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[1] "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Overwrite modified input files?" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "Problems occurred during input generation:" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "No input files to save!" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "Cannot connect to MoleQueue" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "Submit %1 Calculation" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "Job Failed" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "The job did not complete successfully." #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "Script returns warnings:\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "Hide &Warnings" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "Show &Warnings" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "An error has occurred:" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "Select output filename" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "Internal error: could not find text widget for filename '%1'" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Output Error" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Failed to write to file %1." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Select output directory" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Directory does not exist!" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Directory cannot be read!" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: File will be overwritten." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: File is not writable." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "The input files cannot be written due to an unknown error." #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "The input files cannot be written:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Write input files" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "Configure Job" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Submitting job to MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Job Submission Timeout" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro timed out waiting for a reply from MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Waiting for job %1 “%2” to finish…" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "Stop waiting" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "Fetching completed job information…" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "Job Retrieval Timeout" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro timed out waiting for the finished job details from MoleQueue." #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "Error Submitting Job" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "The job has been rejected by MoleQueue: %1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "No program selected." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "Please select the target program from the \"Queue and Program\" list." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Client failed to submit job to MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Internal error." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Unable to resolve program selection. This is a bug." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "No molecule set in BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "No Io::FileFormat set in BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "No file name set in BackgroundFileFormat!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "Split Horizontal" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "Split Vertical" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Hydrogen" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Lithium" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Beryllium" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Boron" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Carbon" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Nitrogen" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Oxygen" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluorine" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Sodium" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnesium" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Aluminium" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silicon" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Phosphorus" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Sulphur" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Chlorine" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Potassium" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Calcium" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Scandium" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titanium" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadium" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Chromium" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Manganese" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Iron" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Cobalt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nickel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Copper" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Zinc" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsenic" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selenium" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Bromine" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Yttrium" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirconium" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niobium" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molybdenum" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Technetium" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Ruthenium" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rhodium" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Silver" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Cadmium" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Tin" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimony" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Tellurium" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Iodine" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Caesium" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lanthanum" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cerium" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodymium" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodymium" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Promethium" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Thulium" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantalum" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Tungsten" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Rhenium" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platinum" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Gold" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Mercury" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Thallium" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Lead" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bismuth" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astatine" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Actinium" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Thorium" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protactinium" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uranium" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Americium" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Californium" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Roentgenium" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Copernicium" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moscovium" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tennessine" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "Browse" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "Select file:" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "Select executable:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "Unable to find a suitable file reader for the selected file." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "Unable to find a suitable file writer for the selected format." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "handlers" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "handle" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "readers" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "read" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "writers" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "write" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "Multiple %1 found that can %2 this format. Which should be used?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "All files" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "All supported formats" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "Error reading molecule representation: Unrecognized file format: %1" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Error writing molecule representation to string: Unrecognized file format: %1" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Error writing molecule representation to string: %1" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "'userOptions' missing." #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "Option '%1' does not refer to an object." #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type' is not a string for option '%1'." #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "Could not find option '%1'." #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "Tab %1" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Title" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "Filename Base" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "Processor Cores" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "Calculation Type" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "Theory" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Basis" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "Charge" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "Multiplicity" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "Error: value must be object for key '%1'." #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Unrecognized option type '%1' for option '%2'." #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "Error setting default for option '%1'. Bad widget type." #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "Error setting default for option '%1'. Bad default value:" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Unhandled widget in collectOptions for option '%1'." #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "[no molecule]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "Layer %1" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Ball and Stick" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Cartoons" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Close Contacts" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Crystal Lattice" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipole Moment" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Force" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "Labels" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Licorice" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "Meshes" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "Non-Covalent" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Symmetry Elements" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Wireframe" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "Untitled" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "Create a new view" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodic Table" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "Error running script '%1 %2': Timed out waiting for start (%3)." #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "Error running script '%1 %2': Timed out waiting for finish (%3)." #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "Warning '%1'" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "Script failed to start." #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "Script crashed." #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "Script timed out." #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "Read error." #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "Write error." #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "Unknown error." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Modify Layers" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Remove Layer" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Remove Layer Info" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Add Layer" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Add Layer Info" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "Change Layer" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Add Atom" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Remove Atom" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "Clear Atoms" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Adjust Hydrogens" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Change Elements" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Change Element" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "Change Atom Hybridization" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "Change Atom Formal Charge" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "Change Atom Color" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "Change Atom Layer" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Add Bond" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "Removed Bond" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "Clear Bonds" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "Set Bond Orders" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Change Bond Order" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "Update Bonds" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "Update Bond" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "Remove Unit Cell" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "Edit Unit Cell" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "Wrap Atoms to Cell" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "Scale Cell Volume" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "Build Super Cell" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "Niggli Reduction" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "Rotate to Standard Orientation" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "Reduce to Primitive" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "Conventionalize Cell" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "Symmetrize Cell" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Fill Unit Cell" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "Reduce Cell to Asymmetric Unit" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "Change Atom Positions" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "Change Atom Position" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "Change Atom Label" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "Change Selection" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Modify Molecule" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "Settings" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "Cannot load script %1" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "Checking for %1 scripts in path %2" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3DMol HTML Block." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&File" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "&Export" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Build" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Align" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centred at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCentre the atom at the origin." #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Axis:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Align at Origin" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "Align to Axis" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "Center the atom at the origin." #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "Rotate the molecule to align the atom to the specified axis." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Align tool" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Align molecules to a Cartesian axis" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "Run APBS…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Open Output File…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "&Input" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "Open Output File" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX File (*.dx)" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "IO Error" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "Error reading structure file (%1)." #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "OpenDX Error" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Error reading OpenDX file: %1" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "Error reading OpenDX file: No cube found" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Interact with APBS utilities." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Open PDB File" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB Files (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Open PQR File" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR Files (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Error" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Error running APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Please specify PDB file" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Save APBS Input File" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "Success" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Input file written to '%1'" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "By Custom Colour…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "By Element" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "By Chain" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "By Partial Charge…" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "By Secondary Structure" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "By Amino Acid" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "By Shapely Scheme" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "Heat" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "Hot" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "Grey" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "Spectral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "Coolwarm" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "Balance" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Blue-DarkRed" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "Apply colour schemes to atoms and residues." #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&View" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "Colour Atoms" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "Colour Residues" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "Select Colourmap" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "Colourmap:" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "ApplyColours" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Atom scale" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Bond scale" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "Opacity" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Show multiple bonds" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Show hydrogens" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Render atoms as spheres and bonds as cylinders." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Bond-Centric Manipulation" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "%L1°" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "%L1 Å" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Bond centric manipulation tool." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Tool used to edit molecular geometry by changing bond lengths and angles." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Bond Atoms" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "Perceive Bond Orders" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Remove Bonds" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Configure Bonding…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "Bond Selected Atoms" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "Bond" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "Remove bonds from all or selected atoms." #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "Create bonds between all or selected atoms." #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "Perceive bond orders." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Bonding" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Perform bonding operations." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "Backbone" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Trace" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Tube" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Ribbon" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Simple Cartoon" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Cartoon" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Rope" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Display of biomolecule ribbons/cartoons." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Add Centroid" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Add Centre of Mass" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Add Perpendicular" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Centroid" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Add centroids and centre-of-mass." #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "Maximum distance:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Line width:" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Render close contacts between atoms." #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "Contact" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "Salt Bridge" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "Repulsive" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "Edit Colour Opacity Map…" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Extensions" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "ColourOpacityMap" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "Edit colour opacity maps, primarily for volume rendering." #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Error reading output file '%1':\n" "%2" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "Processing %1" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "Set path to Python interpreter:" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Select the Python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "Command scripts" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "Run external script commands" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "Other…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Atomic &Coordinate Editor…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Coordinate editor" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Text editing of atomic coordinates." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Overwrite changes?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Too few entries on line." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Invalid element name." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Element name." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Invalid element symbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Element symbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "Invalid atom label." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Invalid atomic index." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Atomic index." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Invalid atomic number." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Atomic number." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Invalid coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Error applying geometry" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Edit Atomic Coordinates" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Custom" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ format (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ format (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ format (atomic numbers)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Lattice coordinates (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Lattice coordinates (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Lattice coordinates (atomic numbers)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "GAMESS format (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "GAMESS format (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Turbomole format" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "Copy" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "InChI" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "Cut" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "Clear" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "&Paste" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "&Edit" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "Copy As" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "Error Clipping Molecule" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "Error generating clipboard data." #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Output format: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Reader error:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "Error Pasting Molecule" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Cannot paste molecule: Clipboard empty!" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "Error reading clipboard data." #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Detected format: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Copy and paste" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Interact with the clipboard." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2K input" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "Generate input for CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energy" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "Energy and Forces" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "Molecular Dynamics" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "Geometry Optimization" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "Electronic structure methods (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "Molecular Mechanics" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Hybrid quantum classical (Not yet supported)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "NONE" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "ATOMIC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "CORE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "DENSITIES" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "HISTORY_RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "RANDOM" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "SPARSE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "Conjugate Gradients" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "Steepest descent" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "Overwrite modified input file?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "Save CP2K input file" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "Submit CP2K Calculation" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Import Crystal from Clipboard…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Toggle Unit Cell" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Edit Unit Cell…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Wrap Atoms to Unit Cell" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Rotate to Standard &Orientation" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Scale Cell &Volume…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "Build &Supercell…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Reduce Cell (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "&Crystal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Remove &Unit Cell" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Add &Unit Cell" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "Import Crystal from Clipboard" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "Wrap atoms into the unit cell." #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "Rotate the unit cell to the standard orientation." #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "Niggli Reduce Crystal" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "The unit cell is already reduced." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Crystal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Tools for crystal-specific editing/analysis." #: qtplugins/crystal/crystalscene.cpp:178 #, fuzzy #| msgid "Colors:" msgid "Color axes:" msgstr "Colour axes:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Line colour:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Render the unit cell boundaries." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Cannot Parse Text" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Failed to read the data with the supplied format." #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "No unit cell present." #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "Reassign &Custom Elements…" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "Manipulate custom element types in the current molecule." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Custom Elements" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Draw" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Draw Atom" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "Change Bond Type" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "Remove Bond" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Distance:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "%1 %L2" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Editor tool" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "Automatic" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Single" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Double" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Triple" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "&Import" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "Fetch PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "Could not read the PDB molecule: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB Code" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Chemical structure to download." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "Querying for %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Network Download Failed" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Network timeout or other error." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Specified molecule could not be found: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Fetch from PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "Download PDB models from the Protein Data Bank" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "Focus Selection" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "Unfocus" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Focus" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Focus the view on specific features." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Render the force field visualizations for the atoms of the molecule." #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "Optimize Geometry" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "Configure…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "Freeze Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "Unfreeze Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "&Calculate" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 Energy = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "Force field optimization" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "Force field minimization, including scripts" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Autodetect (%1)" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "Universal Force Field" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "Generalized Amber Force Field" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "Merck Molecular Force Field 94" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "Error retrieving metadata for energy script: %1" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "Error parsing metadata for energy script: %1" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESS input" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Generate input for GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "Single Point" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Equilibrium Geometry" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Transition State" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Frequencies" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Core Potential" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Water" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Doublet" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Dication" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Cation" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neutral" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "Save GAMESS input file" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "Submit GAMESS Calculation" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Adjust Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Add Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Remove E&xtra Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Remove All Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "Add/remove hydrogens from the current molecule." #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "&Hydrogens" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hydrogens" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "&Search PQR…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Import From PQR" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Download a molecule from PQR." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Insert" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "Insert DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "Uracil" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "Thymine" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "Insert Molecule…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "Generating 3D molecule…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "Insert DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "Insert DNA / RNA fragments through a dialog." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "Molecule…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Crystal…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "Error reading file (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "Import Crystal" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Insert Fragment" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Insert Fragment" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Insert molecular fragments for building larger molecules." #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "Colour:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "Distance from center:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "None" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "Index" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "Unique ID" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "Element & Number" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "Atom Label:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "Name" #: qtplugins/label/label.cpp:236 msgid " & " msgstr " & " #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "Residue Label:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Display labels on ball-and-stick style." #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "Edit Labels" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "Create Label" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "Label editor tool" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPS input" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Generate input for LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Opacity:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "Render atoms as licorice/sticks." #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "No descriptors found!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "No line format readers found!" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "Unable to load requested format reader." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "LineFormatInput" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "Load single-line molecule descriptors through an input dialog." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipulate" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Manipulate tool" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Measure" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Dihedral:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Angle:" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "Angles:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Measure tool" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "Render polygon meshes." #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(pending)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "unknown molecule" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "&Molecular…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "View general properties of a molecule." #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "&Analysis" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Properties" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Molecular Properties" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Molecule Properties" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "Export CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV Files (*.csv);;All Files (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "Could not open the file for writing." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "Error writing to the file." #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "Export…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigate" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "Translate the scene." #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "Reverse Direction of Zoom on Scroll" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Navigate tool" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Chemical Name" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Network Databases" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Interact with online databases, query structures etc." #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "Angle tolerance:" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Render a few non-covalent interactions." #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "Halogen" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "Chalcogen" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "Configure Force Field…" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "Conformer Search…" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "Perceive Bonds" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "Add Hydrogens for pH…" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "Remove Hydrogens" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "The Open Babel file formats are not ready to be added." #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "Loading molecule from Open Babel…" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "An error occurred while running Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "Error parsing openbabel output." #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "An error occurred while retrieving the list of supported force fields. " "(using '%1')." #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molecule invalid. Cannot optimize geometry." #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "Cannot optimize geometry with Open Babel." #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "Optimizing Geometry (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "Generating…" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Starting %1…" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "Updating molecule…" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "Error interpreting Open Babel output." #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "Molecule invalid. Cannot generate conformers." #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "Cannot generate conformers with Open Babel." #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "Generating Conformers (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "Generate Conformers" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "Cannot open file with Open Babel." #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Invalid molecule: Cannot perceive bonds." #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "Perceiving Bonds (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "Generating XYZ representation…" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "Error generating XYZ string." #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Converting XYZ to Open Babel with %1…" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "Updating molecule from Open Babel…" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "Cannot add hydrogens with Open Babel." #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "Adding Hydrogens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "Generating Open Babel input…" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "Error generating Open Babel input." #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "Running %1…" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "Add hydrogens for pH" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "Generating obabel input…" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "Cannot remove hydrogens with Open Babel." #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "Removing Hydrogens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "Error generating Open Babel data." #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "Reading obabel output…" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Already running Open Babel. Wait for the other operation to complete and try " "again." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Interact with OpenBabel utilities." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "&OpenMM Script…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMM input" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Generate input for OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "True" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "Reference Axes" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "Reference Axes Overlay" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "Render reference axes in the corner of the display." #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "Player" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "Play" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Stop" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "Frame rate:" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "Frame:" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " of %0" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "Dynamic bonding?" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "Record Movie…" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "Movie (*.mp4)" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "Export Bitmap Graphics" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "GIF FPS support warning" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "The GIF file format does not support frame rates over 100 FPS." #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "Movie (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "Error: cannot add frame to video." #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "Cannot save file %1." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Player tool" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Play back trajectories" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "Plot Pair Distribution Function…" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "Failed to generate PDF pattern" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "Error message: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Generate and plot a Pair Distribution Function curve." #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "Plot RMSD curve…" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "PlotRmsd" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "Generate and plot an RMSD curve." #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "Plot Theoretical XRD Pattern…" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "Failed to generate XRD pattern" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "Failed to convert molecule to CIF format." #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Data read from genXrdPattern appears to be corrupt!" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "Error: could not find genXrdPattern executable!" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "Error: " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Generate and plot a theoretical XRD pattern using ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "Update" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "Version" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "Description" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Downloading %1 to %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Extracting %1 to %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "Finished %1 files\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "Extraction successful\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "Error while extracting: %1" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "Download Plugins…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Download Plugins" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Download plugins from GitHub repositories." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY Render…" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "Save File" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Text file (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "Render the scene using PLY." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray Render…" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Text file (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Render the scene using POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Valence" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "Formal Charge" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "Colour" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Type" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "Start Atom" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "End Atom" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "Bond Order" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Length (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "Chain" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "Secondary Structure" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "Heterogen" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "Atom 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Vertex" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "Atom 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "Angle (°)" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "Atom 2" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "Atom 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "Adjust Fragment" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "π-Helix" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "Bend" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "α-Helix" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "β-Sheet" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 helix" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "β-Bridge" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "Turn" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "Coil" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Atom Properties…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Bond Properties…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Angle Properties…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Torsion Properties…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Residue Properties…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" "Tables for displaying and editng atom, bond, angle, and torsion properties." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "PropertyTables" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Atom Properties" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Bond Properties" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Angle Properties" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Torsion Properties" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Conformer Properties" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "Residue Properties" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Renders primitives using QTAIM properties" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Molecular Graph…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "Molecular Graph with Lone Pairs…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "Atomic Charge…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Open WFN File" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN files (*.wfn);;All files (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM extension" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "Quantum input" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "Generate input for quantum codes." #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "Centre" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "Align View to Axes" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "Align view to axes." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Reset view" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Manipulate the view camera." #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "Script Charge Models" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "Load electrostatic models from external scripts." #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "Script File Formats" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "Load file reader/writers from external scripts." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Select All" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Select None" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Invert Selection" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Select by Element…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Select by Atom Index…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Select by Residue…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "Select Backbone Atoms…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "Select Sidechain Atoms…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "Select Water" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "Enlarge Selection" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "Shrink Selection" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "Create New Layer from Selection" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Change selections" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Select" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Select Element" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "Select Backbone" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "Select Sidechain" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Select Atoms by Index" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Atoms to Select:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Select Atom" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Select Atoms by Residue" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Residues to Select:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "Select Residue" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "Select" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Selection" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "Paint Atoms" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Selection tool" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "New Layer" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "Perceive Space Group…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "Symmetrise" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "Fill Unit Cell…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "Reduce to Asymmetric Unit" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "Set Tolerance…" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "Space Group" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "Fill symmetric atoms based on the crystal space group." #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "Failure" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "Primitive Reduction" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "Select tolerance in Å:" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "International" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "Select Space Group" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "SpaceGroup" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "Space group features for crystals." #: qtplugins/spectra/spectra.cpp:29 #, fuzzy #| msgid "Import Spectra" msgid "Plot Spectra…" msgstr "Plot Spectra…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgctxt "colormap" #| msgid "Spectral" msgid "Spectra" msgstr "Spectra" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "Display spectra plots." #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "Infrared" #: qtplugins/spectra/spectradialog.cpp:440 #, fuzzy #| msgctxt "Raman spectrum" #| msgid "Raman" msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "Electronic" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "Density of States" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Select Background Colour" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Select Foreground Colour" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "Select Calculated Spectra Colour" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "Select Imported Spectra Colour" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 #, fuzzy #| msgid "Vibrational Modes" msgid "Vibrational Spectra" msgstr "Vibrational Spectra" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "Wavenumbers (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "Transmission" #: qtplugins/spectra/spectradialog.cpp:600 #, fuzzy #| msgid "Import Spectra" msgid "Raman Spectra" msgstr "Raman Spectra" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 #, fuzzy #| msgid "Intensities" msgid "Intensity" msgstr "Intensity" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "NMR Spectra" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "Chemical Shift (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "Electronic Spectra" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Energy (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "Density" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Symmetry" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Status" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "Solvent Accessible" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "Solvent Excluded" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Molecular Orbital" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Electron Density" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "Spin Density" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "From File" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "Create Surfaces…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "Render the van der Waals surface." #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "Render the van der Waals molecular surface." #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "Render the solvent-accessible molecular surface." #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "Render the solvent-excluded molecular surface." #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "Render a molecular orbital." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "Render the electron density." #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "Render the spin density." #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "Render a cube supplied with the file." #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "Calculating electron density" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "Calculating spin density" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Calculating molecular orbital %L1" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "Movie AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "Export Movie" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Surfaces" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Read and render surfaces." #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Render the scene in a SVG file." #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "Class" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "Symmetry…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Provide symmetry functionality." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Render symmetry elements." #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "Group %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "Template" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "Insert Template" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "Insert Ligand" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "Template tool" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Simple display of VdW spheres." #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "Vibrational Modes…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "Show the vibrational modes dialog." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Set the vibrational mode." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "Set the vibrational amplitude." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "Start the vibrational animation." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "Stop the vibrational animation." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "Vibrations" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "Display vibrational modes." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "VRML Render…" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Text file (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Render the scene using VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Render the molecule as a wireframe." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "Calculate Band Structure…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "Cannot calculate band structure: no unit cell!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "Yaehmop execution failed with the following error:\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "Failed to read band structure output from Yaehmop!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "Band %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "Fermi Level" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "Cannot find Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "Error: %1 failed to start" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "Yaehmop Input" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Perform extended Hückel calculations with yaehmop." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dialogue" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Form" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Calculation Settings" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "Placeholder text…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Reset" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "Debug Script…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "Submit Calculation…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Save Input…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Queue and Program:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "Refresh" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" "

      Number of processor cores to reserve for this job." #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Processor cores:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Delete remote files when finished:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Hide job in MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" "

      Show a system popup notification when the job's status " "changes.

      " #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Show progress notifications:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Open output when finished:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Rename Elements" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "Insert Fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filter:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "Type a name or part of a name to show only matching files." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Insert" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "3DMol HTML Snippet" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Copy to Clipboard" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Structure Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Generate Input From PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB File:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Force Field:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Run PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Load Existing PQR File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR File:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "APBS Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Save Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Run APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Success!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Load Structure File" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Load Cube File" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "Partial Charges" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "Charge Model:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Distance Tolerance:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Minimum Distance:" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "Volume Rendering" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "Cube" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "Enable volume rendering" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "Enable surface rendering" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "Isovalue" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Coordinate Editor" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Preset:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Distance Unit:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Ångstrom" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Paste" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Revert" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Apply" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2K Input" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Reset All" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Defaults" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "Save File…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Basic Setup" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Title:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "Filename Base:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "job" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Calculate:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Method:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Basis set:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Functional" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Emax Spline Spin" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Poisson EWALD type" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Poisson EWALD Alpha" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "Poisson EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "TRUE" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "OUTER EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "File extension for Open Babel conversion (default - Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Supercell Parameters" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Super Cell Options" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A repeat:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B repeat:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C repeat:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "Unit Cell Editor" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Cell Matrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Fractional Matrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "&Transform Atoms" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Apply" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Revert" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Hide" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Scale Unit Cell Volume" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "New &Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Scaling Factor:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Current Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "TextLabel" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Bond Order:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Geometry Optimization Parameters" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Convergence Criteria" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "Energy convergence:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Step limit:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " units" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " steps" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "Gradient convergence:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Optimization Method" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Force field:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Autodetect" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS Input" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "In:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicity:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "With:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Charge:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "Import From PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Search" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "name" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "tag" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "synonym" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "formula" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Search By: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Formula:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Download" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Name:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Insert Nucleic Acids" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "DNA/RNA Builder" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Nucleic Acids:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Cytosine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Sequence:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "the number of base pairs per helix turn" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "Other" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Bases Per Turn:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Strands:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "Single" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Double" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPS Input" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Input file comments" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Select the unit style to be used during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Units" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "real" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "electron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Water Potential" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Select atom_style used by the data file." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Atom Style" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "angle" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomic" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "bond" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "charge" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipole" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "ellipsoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "full" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molecular" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "sphere" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "wavepacket" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Specify the name to be used for the coordinate file." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Coordinate Data File" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Ensemble" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperature" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Select the number of Nosé-Hoover chains in the NVT ensemble." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "NH Chains" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Time step for the simulation in units according to \"Units\" specification." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Time Step" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Filename of the XYZ file to write during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Dump XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Number of dimensions in the system." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensions" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Change Z boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "fm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Change Y boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Change X boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "Select boundary Styles in X, Y and Z directions." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Boundary" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Number of replicants in X, Y and Z directions." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Replicate" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Replicate the X direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Replicate the Y direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Replicate the Z direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Total number of timesteps to run the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Total Steps" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Dump Interval" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Set the initial atom velocities for the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Initial Velocities" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Select the distribution of initial atom velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussian" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "uniform" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "Set the initial atom velocities to match this temperature." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Remove system linear momentum from initial velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Zero Linear Momentum" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Remove system angular momentum from initial velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Zero Angular Momentum" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Control the thermodynamic output during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Output" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Output Interval" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Thermodynamic output style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "One Line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Multi Line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Use Form" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "Generate…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Descriptor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Translate by:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Rotate around:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Origin" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Conformer Search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Method" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "Number of conformers:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Systematic rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Random rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Weighted rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Genetic algorithm search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "Optimization per conformer:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Genetic Algorithm Options" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "Children:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "Mutability:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy #| msgid "Convergers" msgid "Convergence:" msgstr "Convergence:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "Scoring method:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "RMSD" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Optimization algorithm:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Line search technique:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Steepest Descent" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "Conjugate Gradient" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Simple" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Newton's Method" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "Limit Non-Bonded Interactions" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "Van der Waals cutoff distance:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Pair update frequency:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "electrostatic cutoff distance:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "Å" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "\"Energy\" convergence:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "OpenMM Script Builder" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Job script:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "script" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Input Coords:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Input Topology:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Force Field:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Water Model:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Implicit Solvent (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Platform:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Reference" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Precision:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "single" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "mixed" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "double" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Device Index:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "OpenCL Platform Index:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "Nonbonded method:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "NoCutoff" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "CutoffNonPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "CutoffPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Ewald Tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Constraints:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "HBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "AllBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "HAngles" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "Constraint Tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "Rigid water?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "False" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "Nonbonded cutoff:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr " nm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Random initial velocity:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Generation Temp.:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrator:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Brownian" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "VariableLangevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "VariableVerlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "Timestep:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr " fs" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Error tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Collision rate:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "/ps" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Temperature:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Barostat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Pressure:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr " atm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Barostat Interval" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Reporters:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "StateData" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Report Interval:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "Equilibration Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Production Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Minimize?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Max. Minimize Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "StateData options:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Step Index" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Time" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Speed" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Progress" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Potential Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Kinetic Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Total Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "Volume" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "PDF Plot Options" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Maximum Radius:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Step (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Theoretical XRD Pattern Options" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" "

      The broadening of the peak at the base (in degrees)." #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Number of points:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Peak width:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Wavelength:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" "

      The wavelength of the x-ray in Ångstroms.

      Default: 1.50560 Å

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" "

      The number of 2theta points to generate.

      Default: 1000

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "Max 2*theta:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Download Selected" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Critical Point Radius:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Bond Path Radius:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalent" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Constant Size" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Apply Colour" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "Spectra Visualization" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "Scale Factor:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) #, fuzzy #| msgid "Minimum:" msgid "X-Axis Minimum:" msgstr "X-Axis Minimum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) #, fuzzy #| msgid "Minimum:" msgid "Y-Axis Minimum:" msgstr "Y-Axis Minimum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "Peak Width:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "Peak Threshold:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Appearance" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Show" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "Imports a tsv of experimental spectra to overlay on the plot." #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Import..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Set Colour..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Imported Spectra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Export..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Background:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Export Calculated Spectrum" msgid "Calculated Spectra:" msgstr "Calculated Spectra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "Font Size:" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Export Data" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Close" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&Options…" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "&Load data..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Quality: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Very Low" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Low" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Medium" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "High" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Very High" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Create Surfaces" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Surface:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alpha" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Colour by:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "Electrostatic Potential" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolution:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Isosurface Value:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "Smoothing:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Light" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "Strong" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calculate" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molecule" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Symmetrically equivalent atoms:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Lock Symmetry" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operations" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Symmetry elements:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Subgroups" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Subgroups:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolerance:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Tight" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normal" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Loose" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Very Loose" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Detect Symmetry" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "Centres" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "Formal Charge:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "0" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "+1" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "+2" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "+3" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "+4" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "+5" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "+6" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "+7" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "Coordination:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: Octahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: Trigonal Planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: Tetrahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: Square Planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: Trigonal Bipyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: Square Pyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: Trigonal Prism" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: Pentagonal Bipyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: Square Antiprism" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "Ligands" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "Type:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "Monodentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "Bidentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "Tridentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "Tetradentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "Hexadentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "Haptic" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "From Clipboard" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "Ligand:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Groups" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "Group:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "nitro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Vibrational Modes" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitude:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "Start Animation" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "Stop Animation" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Yaehmop Band" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Min y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density-of-states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density-of-states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density-of-" "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "Plot Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "Zero Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "# of k-points connecting special k-points:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Special k-points" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Max y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "

      The Fermi Level

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" "

      Limit the y-range in the plot?

      Default: off

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "Limit y-range?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Number of Dimensions:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "Display Yaehmop Input?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Andres Montejo Martinez,DiegoJ,Edgardo Fredz," "Enterhase,Feder Sáiz,Federico Vera,Gabriel Ruiz,Geoff Hutchison,Gothmog," "Javier García Díaz,Luis J. Claros,Pablo Catarecha,Rogelio Castillo A.," "cocoloco, ,Launchpad Contributions:,Gabriel Ruiz,Geoff Hutchison,Jen Ockwell," "Marcus D. Hanwell,kuede, ,Launchpad Contributions:,Avogadro Team, ,Launchpad " "Contributions:,Avogadro Team,Brian Burns,Geoff Hutchison,Marcus D. Hanwell, ," "Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff Hutchison,Marcus D. " "Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " "Hutchison,Marcus D. Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro " "Team,Brian Burns,Geoff Hutchison,Marcus D. Hanwell,ascenseur, ,Launchpad " "Contributions:,Avogadro Team,Brian Burns,Geoff Hutchison,Ken Sharp,Marcus D. " "Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " "Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad Contributions:," "Avogadro Team,Brian Burns,Geoff Hutchison,Ken Sharp,Marcus D. Hanwell," "ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " "Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad Contributions:," "Andi Chandler,Anthony Harrington,Avogadro Team,Brian Burns,Chris Woollard," "Geoff Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad " "Contributions:,Andi Chandler,Anthony Harrington,Avogadro Team,Brian Burns," "Chris Woollard,Geoff Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ," "Launchpad Contributions:,Andi Chandler,Anthony Harrington,Avogadro Team," "Brian Burns,Chris Woollard,Geoff Hutchison,Ken Sharp,Marcus D. Hanwell," "ascenseur" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,Nathan_chud@hotmail.com,diegojromerolopez@gmail.com,medeshago@gmail.com," "patricio.oshee@gmail.com,federsaiz@googlemail.com,,debianmaster@gmail." "com,,,,,pczoido@gmail.com,,jalvarezrom@gmail.com,,,debianmaster@gmail.com,," "jenfraggleubuntu@googlemail.com,,,,,avogadro-devel@lists.sourceforge.net,,," "avogadro-devel@lists.sourceforge.net,bburns@aundae.com,,,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,joseph.odell@googlemail." "com,,,avogadro-devel@lists.sourceforge.net,bburns@aundae.com,,,joseph." "odell@googlemail.com,,,avogadro-devel@lists.sourceforge.net,bburns@aundae." "com,,,joseph.odell@googlemail.com,,,avogadro-devel@lists.sourceforge.net," "bburns@aundae.com,,,,joseph.odell@googlemail.com,,,avogadro-devel@lists." "sourceforge.net,bburns@aundae.com,,,,joseph.odell@googlemail.com,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,,joseph.odell@googlemail." "com,,,avogadro-devel@lists.sourceforge.net,bburns@aundae.com,,,,joseph." "odell@googlemail.com,,,,untaintableangel@ubuntu.com,avogadro-devel@lists." "sourceforge.net,bburns@aundae.com,cwoollard@gmail.com,,,,joseph." "odell@googlemail.com,,,,untaintableangel@ubuntu.com,avogadro-devel@lists." "sourceforge.net,bburns@aundae.com,cwoollard@gmail.com,,,,joseph." "odell@googlemail.com,,,,,avogadro-devel@lists.sourceforge.net,bburns@aundae." "com,cwoollard@gmail.com,,,,joseph.odell@googlemail.com" #~ msgid "eV" #~ msgstr "eV" #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "Partial Charge" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgid "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgid "Animation Tool" #~ msgstr "Animation Tool" #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals (AO)" #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "Simple display of VdW spheres with ambient occlusion." #~ msgid "Geometry" #~ msgstr "Geometry" #~ msgid "Add Unit Cell" #~ msgstr "Add &Unit Cell" #~ msgid "By Atomic Index" #~ msgstr "By Atomic Index" #~ msgid "By Distance" #~ msgstr "By Distance" #~ msgid "Select Water…" #~ msgstr "Select Water…" #~ msgid "&Copy" #~ msgstr "&Copy" #~ msgid "Molecule Name:" #~ msgstr "Molecule Name:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molecular Mass (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Chemical Formula:" #~ msgid "Number of Atoms:" #~ msgstr "Number of Atoms:" #~ msgid "Number of Bonds:" #~ msgstr "Number of Bonds:" #~ msgid "TODO" #~ msgstr "TODO" #, fuzzy #~| msgid "Line width:" #~ msgid "Line Size:" #~ msgstr "Line width:" #~ msgid "Optimize" #~ msgstr "Optimize" #~ msgid "In." #~ msgstr "In." #~ msgid "El." #~ msgstr "El." #~ msgid "El.&No." #~ msgstr "El.&No." #~ msgid ", " #~ msgstr ", " #~ msgid "ABPS Input (*.in)" #~ msgstr "ABPS Input (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "Select the Python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgid "Set Python Path…" #~ msgstr "Set Python Path…" #~ msgid "Fragment…" #~ msgstr "Fragment…" #~ msgid "Functional Groups" #~ msgstr "Functional Groups" #~ msgid "Help..." #~ msgstr "Help..." #~ msgid "Submit Calculation..." #~ msgstr "Submit Calculation..." #~ msgid "Save File..." #~ msgstr "Save File..." #~ msgid "Download Plugins..." #~ msgstr "Download Plugins..." #~ msgid "Record Movie..." #~ msgstr "Record Movie..." #~ msgid "" #~ "The file name contains invalid characters. Please choose another file " #~ "name." #~ msgstr "" #~ "The file name contains invalid characters. Please choose another file " #~ "name." #~ msgid "Other..." #~ msgstr "Other..." #~ msgid "Connection failed" #~ msgstr "Connection failed" #, fuzzy #~ msgid "Filename" #~ msgstr "Filename:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Load File" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navigate" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navigate" #~ msgid "OK" #~ msgstr "OK" #~ msgid "Cancel" #~ msgstr "Cancel" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Element name" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "All files" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Rhombohedral" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molecule" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "No molecule set" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #~ msgid "Fragment..." #~ msgstr "Fragment..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Crystal..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Add Hydrogens for pH..." #~ msgid "Atom Properties..." #~ msgstr "Atom Properties..." #~ msgid "Bond Properties..." #~ msgstr "Bond Properties..." #~ msgid "Angle Properties..." #~ msgstr "Angle Properties..." #~ msgid "Torsion Properties..." #~ msgstr "Torsion Properties..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Molecule Properties..." #~ msgid "Create Surfaces..." #~ msgstr "Create Surfaces..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Symmetry" #~ msgid "Insert Fragment..." #~ msgstr "Insert Fragment..." #~ msgid "Theory:" #~ msgstr "Theory:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Distance (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Rotatable" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Conformer %1\n" #~ "Length %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angle %1" #~ msgid "Angle" #~ msgstr "Angle" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsion %1" #~ msgid "Torsion" #~ msgstr "Torsion" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energy (kJ/mol)" #~ msgid "Yes" #~ msgstr "Yes" #~ msgid "No" #~ msgstr "No" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Input Generator..." #, fuzzy #~ msgid "Import" #~ msgstr "Import" #~ msgid "Insert SMILES" #~ msgstr "Insert SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Insert SMILES fragment:" #~ msgid "Insert Crystal" #~ msgstr "Insert Crystal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Insert molecular fragments for building larger molecules" #~ msgid "E&xtensions" #~ msgstr "E&xtensions" #~ msgid "Symmetry Properties..." #~ msgstr "Symmetry Properties..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimise Geometry" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometry Optimization" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Add Hydrogens" #, fuzzy #~ msgid "Stopped" #~ msgstr "Stop" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Surfaces" #~ msgid "Color by Index" #~ msgstr "Colour by Index" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Colour by Index (red, orange, yellow, green, blue, violet)." #~ msgid "Color by Partial Charge" #~ msgstr "Colour by Partial Charge" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "Colour by atomic partial charge (blue = positive, red = negative." #~ msgid "Custom Color:" #~ msgstr "Custom Colour:" #~ msgid "Set custom colors for objects" #~ msgstr "Set custom colours for objects" #~ msgid "Color by Distance" #~ msgstr "Colour by Distance" #~ msgid "Color by distance from the first atom." #~ msgstr "Colour by distance from the first atom." #~ msgid "Color by Element" #~ msgstr "Colour by Element" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Colour by Element (carbon = grey, oxygen = red, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Colour by Residue (amino acid type, hydrophobicity, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS Pattern:" #~ msgid "Highlight Color:" #~ msgstr "Highlight Color:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Colour by SMARTS Pattern" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Highlight particular features which match a SMARTS pattern." #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Engines" #~ msgid "Axes" #~ msgstr "Axes" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Renders the x, y and z axes at the origin" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgid "Dipole" #~ msgstr "Dipole" #~ msgid "Hydrogen Bond" #~ msgstr "Hydrogen Bond" #~ msgid "Renders hydrogen bonds" #~ msgstr "Renders hydrogen bonds" #~ msgid "Select Atom Labels Color" #~ msgstr "Select Atom Labels Color" #~ msgid "Select Bond Labels Color" #~ msgstr "Select Bond Labels Colour" #~ msgid "Select Bond Labels Font" #~ msgstr "Select Bond Labels Font" #~ msgid "Polygon" #~ msgstr "Polygon" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Renders protein backbones as ribbons" #~ msgid "Ring" #~ msgstr "Ring" #~ msgid "Renders rings with colored planes" #~ msgstr "Renders rings with coloured planes" #~ msgid "Simple Wireframe" #~ msgstr "Simple Wireframe" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Renders bonds as wires (lines), ideal for large molecules" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waals Spheres" #~ msgid "Stick" #~ msgstr "Stick" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Electron density, isosurface = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosurface = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgid "Trajectory files" #~ msgstr "Trajectory files" #~ msgid "DL-POLY HISTORY files" #~ msgstr "DL-POLY HISTORY files" #~ msgid "Open Trajectory File" #~ msgstr "Open Trajectory File" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Adding .avi extension" #~ msgid "Animation..." #~ msgstr "Animation..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Cannot read file format of file %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Read trajectory file %1 failed." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Must specify a valid .avi file name" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "GL widget was not correctly initialised in order to save video" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "Invalid video filename. Must include full directory path" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Could not determine format from filename: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animate trajectories, reactions, and vibrations." #~ msgid "Cartesian Editor" #~ msgstr "Cartesian Editor" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgid "Cartesian Editor..." #~ msgstr "Cartesian Editor..." #~ msgid "Cartesian editor" #~ msgstr "Cartesian editor" #~ msgid "Number of atoms: %1" #~ msgstr "Number of atoms: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Number of rotatable bonds: %1" #~ msgid "Add constraint" #~ msgstr "Add constraint" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "Your molecule must contain at least one atom to add a constraint" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgid "&Crystallography" #~ msgstr "&Crystallography" #~ msgid "&Reduce" #~ msgstr "&Reduce" #~ msgid "&Length Unit" #~ msgstr "&Length Unit" #~ msgid "&Angle Unit" #~ msgstr "&Angle Unit" #~ msgid "&Coordinate Display" #~ msgstr "&Coordinate Display" #~ msgid "Coordinate &Preservation" #~ msgstr "Coordinate &Preservation" #~ msgid "&Matrix Display" #~ msgstr "&Matrix Display" #~ msgid "Hide &Editors" #~ msgstr "Hide &Editors" #~ msgid "Show &Editors" #~ msgstr "Show &Editors" #~ msgid "Hide &Property Display" #~ msgstr "Hide &Property Display" #~ msgid "Show &Property Display" #~ msgstr "Show &Property Display" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Lattice Type: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Space group: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Unit cell volume: %L1%2" #~ msgid "Undefined" #~ msgstr "Undefined" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triclinic" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoclinic" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Orthorhombic" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonal" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Cubic" #~ msgid "Paste Crystal" #~ msgstr "Paste Crystal" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Niggli-reduction failed. The input structure's lattice is confusing the " #~ "Niggli-reduction algorithm. Try making a small perturbation (approx. 2 " #~ "orders of magnitude smaller than the tolerance) to the input lattices and " #~ "try again." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Rotate To Standard &Orientation" #~ msgid "&Slab..." #~ msgstr "&Slab..." #~ msgid "Perceive Space&group..." #~ msgstr "Perceive Space &group..." #~ msgid "Set &Spacegroup..." #~ msgstr "Set &Space group..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Fill Unit Cell" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Fill the unit cell using current space group." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Reduce to &Asymmetric Unit" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Sy&mmetrise Crystal" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Reduce Cell (&Primitive)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometre" #~ msgid "&Picometer" #~ msgstr "&Picometre" #~ msgid "&Degree" #~ msgstr "&Degree" #~ msgid "&Radian" #~ msgstr "&Radian" #~ msgid "Display &cartesian coordinates" #~ msgstr "Display &cartesian coordinates" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Preserve &Cartesian Coordinates During Cell Modification" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Preserve &Fractional Coordinates During Cell Modification" #~ msgid "Display &cartesian matrix" #~ msgstr "Display &cartesian matrix" #~ msgid "Display &fractional matrix" #~ msgstr "Display &fractional matrix" #~ msgid "Display as &row vectors" #~ msgstr "Display as &row vectors" #~ msgid "Display as &column vectors" #~ msgstr "Display as &column vectors" #~ msgid "&Crystal View Options..." #~ msgstr "&Crystal View Options..." #~ msgid "" #~ "

      Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

      Cell can be symmetrized into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

      " #~ msgstr "" #~ "

      Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

      Cell can be symmetrised into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

      " #~ msgid "Set Spacegroup" #~ msgstr "Set Space group" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "There is not a space group set for this document.\n" #~ "\n" #~ "Would you like to set a space group now?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Space group P1 detected -- cannot symmetrise to this space group.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgid "Symmetrize Crystal" #~ msgstr "Symmetrise Crystal" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Wrap Atoms To Cell" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Reduce to Niggli Cell" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Select tolerance in current cartesian units:" #~ msgid "Crystallography" #~ msgstr "Crystallography" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Construct and analyse periodic structures." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "VASP Format\n" #~ msgid "Bad Compostion" #~ msgstr "Bad Compostion" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Cartesian Coordinates" #~ msgid "Fractional Coordinates" #~ msgstr "Fractional Coordinates" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Cell Matrix (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Set Unit Cell Matrix" #~ msgid "Set Unit Cell Params" #~ msgstr "Set Unit Cell Params" #~ msgid "Working..." #~ msgstr "Working..." #~ msgid "Build" #~ msgstr "Build" #~ msgid "Cut Slab From Crystal" #~ msgstr "Cut Slab From Crystal" #~ msgid "No GLWidget?" #~ msgstr "No GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Please select one or more atoms." #~ msgid "Trajectory..." #~ msgstr "Trajectory..." #~ msgid "Open chemical file format" #~ msgstr "Open chemical file format" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Chemical files (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Open parameter file" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Chemical files (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Import Trajectory" #~ msgid "Import trajectory files" #~ msgstr "Import trajectory files" #~ msgid "Calculate Energy" #~ msgstr "Calculate Energy" #~ msgid "Conformer Search..." #~ msgstr "Conformer Search..." #~ msgid "Constraints..." #~ msgstr "Constraints..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgid "Geometric Optimization" #~ msgstr "Geometric Optimization" #~ msgid "Systematic Rotor Search" #~ msgstr "Systematic Rotor Search" #~ msgid "Random Rotor Search" #~ msgstr "Random Rotor Search" #~ msgid "Weighted Rotor Search" #~ msgstr "Weighted Rotor Search" #~ msgid "Genetic Algorithm Search" #~ msgstr "Genetic Algorithm Search" #~ msgid "ForceField" #~ msgstr "ForceField" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimise molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgid "&Vector Graphics..." #~ msgstr "&Vector Graphics..." #~ msgid "Common vector image formats" #~ msgstr "Common vector image formats" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Vector graphics export" #~ msgid "Change H to Methyl" #~ msgstr "Change H to Methyl" #~ msgid "H to Methyl" #~ msgstr "H to Methyl" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transform hydrogens to methyl groups" #~ msgid "Add or remove hydrogens" #~ msgstr "Add or remove hydrogens" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Insert DNA/RNA chains" #~ msgid "Peptide..." #~ msgstr "Peptide..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Insert oligopeptide sequences" #~ msgid "Invert Chirality" #~ msgstr "Invert Chirality" #~ msgid "InvertChiral" #~ msgstr "InvertChiral" #~ msgid "Invert chiral centers" #~ msgstr "Invert chiral centres" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "unknown" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Estimated Dipole Moment (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Display standard molecular properties." #~ msgid "Fetch by chemical name..." #~ msgstr "Fetch by chemical name..." #~ msgid "Fetch from URL..." #~ msgstr "Fetch from URL..." #~ msgid "PDB Entry" #~ msgstr "PDB Entry" #~ msgid "PDB entry to download." #~ msgstr "PDB entry to download." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL of molecule to download." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Specified molecule could not be loaded: %1" #~ msgid "Network Fetch" #~ msgstr "Network Fetch" #~ msgid "Fetch molecule files over the network." #~ msgstr "Fetch molecule files over the network." #~ msgid "OrcaExtension Warning" #~ msgstr "OrcaExtension Warning" #~ msgid "OrcaExtension" #~ msgstr "OrcaExtension" #~ msgid " No vibration data found!" #~ msgstr " No vibration data found!" #~ msgid " No vibration data found or molecule changed outside Orca Plugin!" #~ msgstr " No vibration data found or molecule changed outside Orca Plugin!" #~ msgid "Selected displacement data don't fit to the actual molecule!" #~ msgstr "Selected displacement data doesn't fit to the actual molecule!" #~ msgid "extended Geometry File" #~ msgstr "extended Geometry File" #~ msgid "Read Orca Outputfile" #~ msgstr "Read Orca Outputfile" #~ msgid "no file found" #~ msgstr "no file found" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Somethings wrong in the file structure" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "Somethings wrong in the file structure - unitcells" #~ msgid "Something is wrong in the IR output! " #~ msgstr "Something is wrong in the IR output! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "Something is wrong in the raman output! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "Something is wrong in the orbital energy output! " #~ msgid "No geometry found in file!" #~ msgstr "No geometry found in file!" #~ msgid "" #~ "Molecule of the file does not fit the actual molecule structure! \n" #~ " Would you like to override the actual molecule?" #~ msgstr "" #~ "Molecule of the file does not fit the actual molecule structure! \n" #~ " Would you like to override the actual molecule?" #~ msgid "Could not read file!" #~ msgstr "Could not read file!" #~ msgid "Analyse Orca Output..." #~ msgstr "Analyse Orca Output..." #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "Orca Test Example" #~ msgstr "Orca Test Example" #~ msgid "Provides a dialog box with the words \"H...\"." #~ msgstr "Provides a dialogue box with the words \"H...\"." #~ msgid "ORCA Input Deck" #~ msgstr "ORCA Input Deck" #~ msgid "Show Preview" #~ msgstr "Show Preview" #~ msgid "Hide Preview" #~ msgstr "Hide Preview" #~ msgid "RijCosX option not available for the selected DFT functional!" #~ msgstr "RijCosX option not available for the selected DFT functional!" #~ msgid "" #~ "RijCosX not available for the selected DFT functional! \n" #~ "RijCosX option reset!" #~ msgstr "" #~ "RijCosX not available for the selected DFT functional! \n" #~ "RijCosX option reset!" #~ msgid "" #~ "Unsaved changes are made in the actual preview text! \n" #~ " Generating a new preview will lose all changes! \n" #~ " Would you like to override them anyway?" #~ msgstr "" #~ "Unsaved changes are made in the actual preview text! \n" #~ " Generating a new preview will lose all changes! \n" #~ " Would you like to override them anyway?" #~ msgid " OrcaSpectra::No vibration data found!" #~ msgstr " OrcaSpectra::No vibration data found!" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Save POV-Ray rendered image" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Image files (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "No valid filename was supplied." #~ msgid "Does not compute." #~ msgstr "Does not compute." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray failed to start." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgid "Conformer Properties..." #~ msgstr "Conformer Properties..." #~ msgid "Python Terminal" #~ msgstr "Python Terminal" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Interactive python scripting terminal" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Abinit Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgid "Abinit_Input_Deck" #~ msgstr "Abinit_Input_Deck" #~ msgid "Abinit Running." #~ msgstr "Abinit Running." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit Not Installed." #~ msgid "The abinit executable cannot be found." #~ msgstr "The abinit executable cannot be found." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "abinit did not start. Perhaps it is not installed correctly." #~ msgid "Running Abinit calculation..." #~ msgstr "Running Abinit calculation..." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Dalton Input File Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgid "QM Matches" #~ msgstr "QM Matches" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP Selection..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM Selection..." #~ msgid "Delete" #~ msgstr "Delete" #~ msgid "You must make a selection!" #~ msgstr "You must make a selection!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES Conversion Unavailable" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES Format Conversion Not Available!" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Create input files for the GAMESS quantum chemistry package" #~ msgid "Advanced Settings Changed" #~ msgstr "Advanced Settings Changed" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgid "Advanced Settings Reset" #~ msgstr "Advanced Settings Reset" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgid "Basic Settings Reset" #~ msgstr "Basic Settings Reset" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "GAMESS-UK Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "GAMESS-UK Input Deck" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussian Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussian Input Deck" #~ msgid "Gaussian Running." #~ msgstr "Gaussian Running." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian Not Installed." #~ msgid "The G03 executable, cannot be found." #~ msgstr "The G03 executable cannot be found." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 did not start. Perhaps it is not installed correctly." #~ msgid "Running Gaussian calculation..." #~ msgstr "Running Gaussian calculation..." #~ msgid "G03 Crashed." #~ msgstr "G03 Crashed." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian did not run correctly. Perhaps it is not correctly installed." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "Lammps Input Deck Generator Warning" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Molpro Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgid "Molpro Input Deck" #~ msgstr "Molpro Input Deck" #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC Input Warning" #~ msgid "MOPAC Input Deck" #~ msgstr "MOPAC Input Deck" #~ msgid "MOPAC Running." #~ msgstr "MOPAC Running." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "MOPAC is already running. Wait until the previous calculation has " #~ "finished." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC Not Installed." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "The MOPAC executable, cannot be found." #~ msgid "MOPAC failed to start." #~ msgstr "MOPAC failed to start." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC did not start. Perhaps it is not installed correctly." #~ msgid "Running MOPAC calculation..." #~ msgstr "Running MOPAC calculation..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC Crashed." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "NWChem Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgid "NWChem Input Deck" #~ msgstr "NWChem Input Deck" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Psi4 Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgid "Psi4 Input Deck" #~ msgstr "Psi4 Input Deck" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgid "QChem Input Deck" #~ msgstr "QChem Input Deck" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "TeraChem Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgid "TeraChem Input Deck" #~ msgstr "TeraChem Input Deck" #~ msgid "Select SMARTS..." #~ msgstr "Select SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Add Named Selection..." #~ msgid "SMARTS Selection" #~ msgstr "SMARTS Selection" #~ msgid "SMARTS pattern to select" #~ msgstr "SMARTS pattern to select" #~ msgid "There is no current selection." #~ msgstr "There is no current selection." #~ msgid "Add Named Selection" #~ msgstr "Add Named Selection" #~ msgid "Name cannot be empty." #~ msgstr "Name cannot be empty." #~ msgid "There is already a selection with this name." #~ msgstr "There is already a selection with this name." #~ msgid "Selections" #~ msgstr "Selections" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Select atoms, bonds, residues..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL Shaders..." #~ msgid "Open a vertex shader source file" #~ msgstr "Open a vertex shader source file" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Vertex shader files (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Open a fragment shader source file" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fragment shader files (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Open a shader parameters file" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Shader parameters files (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL Shaders" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Load and use OpenGL 2.0 GLSL shaders" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensity (arb. units)" #~ msgid "Density of States (states/cell)" #~ msgstr "Density of States (states/cell)" #~ msgid "Density of States (states/atom)" #~ msgstr "Density of States (states/atom)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Density of States (states/valence electron)" #~ msgid "Transmittance (%)" #~ msgstr "Transmittance (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbance (%)" #~ msgid "No intensities" #~ msgstr "No intensities" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualisation." #~ msgid "Activity" #~ msgstr "Activity" #~ msgid "X Axis" #~ msgstr "X Axis" #~ msgid "Y Axis" #~ msgstr "Y Axis" #~ msgid "&Infrared Spectra Settings" #~ msgstr "&Infrared Spectra Settings" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "&NMR Spectra Settings" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "&UV Settings" #~ msgstr "&UV Settings" #~ msgid "&CD Settings" #~ msgstr "&CD Settings" #~ msgid "&Raman Settings" #~ msgstr "&Raman Settings" #~ msgid "No data" #~ msgstr "No data" #~ msgid "Dark" #~ msgstr "Dark" #~ msgid "Publication" #~ msgstr "Publication" #~ msgid "Handdrawn" #~ msgstr "Handdrawn" #~ msgid "New Scheme" #~ msgstr "New Scheme" #~ msgid "Confirm Scheme Removal" #~ msgstr "Confirm Scheme Removal" #~ msgid "Really remove current scheme?" #~ msgstr "Really remove current scheme?" #~ msgid "Change Scheme Name" #~ msgstr "Change Scheme Name" #~ msgid "Enter new name for current scheme:" #~ msgstr "Enter new name for current scheme:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Tab Separated Values (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Tab-Separated Values" #~ msgid "Comma Separated Values" #~ msgstr "Comma-Separated Values" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Spectra Import" #~ msgid "Unknown extension: %1" #~ msgstr "Unknown extension: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR data (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomole IR data (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Turbomole UV data (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Turbomole CD data (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Data Format" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format:" #~ msgid "Load Spectral Data" #~ msgstr "Load Spectral Data" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Turbomole CD file is improperly formatted : %1" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image File Format" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "Save Spectra Image" #~ msgid "Image successfully written to %1" #~ msgstr "Image successfully written to %1" #~ msgid "&Advanced <<" #~ msgstr "&Advanced <<" #~ msgid "&Advanced >>" #~ msgstr "&Advanced >>" #~ msgid "&Spectra..." #~ msgstr "&Spectra..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Visualise spectral data from quantum chemistry calculations" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Vibrational Analysis" #~ msgid "No vibrational displacements exist." #~ msgstr "No vibrational displacements exist." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Visualise vibrational modes from quantum chemistry calculations" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Sorting %1 vibrations by frequency..." #~ msgid "Pause" #~ msgstr "Pause" #~ msgid "Super Cell Builder..." #~ msgstr "Super Cell Builder..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Build and display crystallographic super cells" #~ msgid "Molecular Orbitals..." #~ msgstr "Molecular Orbitals..." #~ msgid "Orbitals" #~ msgstr "Orbitals" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Nothing" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Electron Density" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Error - undefined type" #~ msgid "Calculating VdW Cube" #~ msgstr "Calculating VdW Cube" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Calculating MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "Electrostatic potential surfaces are not yet supported." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Calculate molecular orbitals and other surfaces" #~ msgid "&Nanotube Builder..." #~ msgstr "&Nanotube Builder..." #~ msgid "Nanotube Builder" #~ msgstr "Nanotube Builder" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Invalid Nanotube Specification" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgid "Insert Nanotube" #~ msgstr "Insert Nanotube" #~ msgid "SWCNT Builder" #~ msgstr "SWCNT Builder" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Construct single wall carbon nanotubes." #~ msgid "Building..." #~ msgstr "Building..." #~ msgid "Display point group symmetry." #~ msgstr "Display point group symmetry." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "GL widget was not correctly initialised in order to make a video" #~ msgid "GL widget has no molecule" #~ msgstr "GL widget has no molecule" #~ msgid "Building video " #~ msgstr "Building video " #~ msgid "Could not run mencoder." #~ msgstr "Could not run mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Set Aspect Ratio" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgid "Save VRML rendered files" #~ msgstr "Save VRML rendered files" #~ msgid "VRML..." #~ msgstr "VRML..." #~ msgid "Connect" #~ msgstr "Connect" #~ msgid "Disconnect" #~ msgstr "Disconnect" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Wii Tracking" #~ msgid "Track motion using Wii remotes" #~ msgstr "Track motion using Wii remotes" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgid "Debug Information" #~ msgstr "Debug Information" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "View Size: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Atoms: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: index %1 out of reach." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "File type '%1' is not supported for reading." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "File type for file '%1' is not supported for reading." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Reading molecule with index %1 from file '%2' failed." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "replaceMolecule: index %1 out of reach." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "File type '%1' is not supported for writing." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "File type for file '%1' is not supported for writing." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Could not open file '%1' for reading." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Replacing molecule with index %1 in file '%2' failed." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "File %1 cannot be opened for reading." #~ msgid "File %1 can not be opened for writing." #~ msgstr "File %1 can not be opened for writing." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "Saving molecular file failed - could not rename original file." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "Saving molecular file failed - could not rename new file." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "Saving molecular file failed - could not remove old file." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "File %1 cannot be opened for writing." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Writing conformers to file '%1' failed." #~ msgid "Molecule %1" #~ msgstr "Molecule %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Unknown Python Engine" #~ msgid "N/A" #~ msgstr "N/A" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: checking " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - script has no 'Engine' class defined" #~ msgid " - no module" #~ msgstr " - no module" #~ msgid "Unknown Python Extension" #~ msgstr "Unknown Python Extension" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: checking " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - script has no 'Extension' class defined" #~ msgid "Unknown Python Tool" #~ msgstr "Unknown Python Tool" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: checking " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - script has no 'Tool' class defined" #~ msgid "Conformer %1" #~ msgstr "Conformer %1" #~ msgid "Tools" #~ msgstr "Tools" #~ msgid "Align:" #~ msgstr "Align:" #~ msgid "Everything" #~ msgstr "Everything" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Auto Optimisation Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Could not setup force field...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Num Constraints: %1" #~ msgid "Steps per Update:" #~ msgstr "Steps per Update:" #~ msgid "Algorithm:" #~ msgstr "Algorithm:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Molecular Dynamics (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Molecular Dynamics (900K)" #~ msgid "Start" #~ msgstr "Start" #~ msgid "Fixed atoms are movable" #~ msgstr "Fixed atoms are movable" #~ msgid "Ignored atoms are movable" #~ msgstr "Ignored atoms are movable" #~ msgid "AutoOpt Molecule" #~ msgstr "AutoOpt Molecule" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Automatic optimisation of molecular geometry" #~ msgid "AutoOptimization Settings" #~ msgstr "AutoOptimisation Settings" #~ msgid "Auto Rotation Tool" #~ msgstr "Auto Rotation Tool" #~ msgid "x rotation:" #~ msgstr "x rotation:" #~ msgid "x rotation" #~ msgstr "x rotation" #~ msgid "y rotation:" #~ msgstr "y rotation:" #~ msgid "y rotation" #~ msgstr "y rotation" #~ msgid "z rotation:" #~ msgstr "z rotation:" #~ msgid "z rotation" #~ msgstr "z rotation" #~ msgid "Automatic rotation of molecules" #~ msgstr "Automatic rotation of molecules" #~ msgid "AutoRotate Settings" #~ msgstr "AutoRotate Settings" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Bond Length: %L1" #~ msgid " Show Angles" #~ msgstr " Show Angles" #~ msgid "Snap-to Threshold: " #~ msgstr "Snap-to Threshold: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Bond Centric Manipulate" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulation of bond lengths, angles, and torsions" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Bond Centric Manipulate Settings" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distance (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distance (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Dihedral Angle: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distance(s):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Measure bond lengths, angles, and dihedrals" #~ msgid "Draw Bond" #~ msgstr "Draw Bond" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Draw and edit atoms and bonds" #~ msgid "Draw Settings" #~ msgstr "Draw Settings" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Translate, rotate, and adjust atoms and fragments" #~ msgid "Manipulate Settings" #~ msgstr "Manipulate Settings" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Translate, rotate, and zoom around the current view" #~ msgid "Navigate Settings" #~ msgstr "Navigate Settings" #~ msgid "Selection Mode:" #~ msgstr "Selection Mode:" #~ msgid "Atom/Bond" #~ msgstr "Atom/Bond" #~ msgid "Residue" #~ msgstr "Residue" #~ msgid "Add Center of Atoms" #~ msgstr "Add Centre of Atoms" #~ msgid "Change color of the atom" #~ msgstr "Change colour of the atom" #~ msgid "Change label of the atom" #~ msgstr "Change label of the atom" #~ msgid "Change label of the bond" #~ msgstr "Change label of the bond" #~ msgid "Change radius of the atom" #~ msgstr "Change radius of the atom" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "New Radius, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Select atoms, residues, and molecules" #~ msgid "Symbol" #~ msgstr "Symbol" #~ msgid "Bond Length" #~ msgstr "Bond Length" #~ msgid "Dihedral Angle" #~ msgstr "Dihedral Angle" #~ msgid "Z Matrix Editor..." #~ msgstr "Z Matrix Editor..." #~ msgid "Z-Matrix" #~ msgstr "Z-Matrix" #~ msgid "Create/edit a z-matrix" #~ msgstr "Create/edit a z-matrix" #~ msgid "Z-Matrix Settings" #~ msgstr "Z-Matrix Settings" #~ msgid "Color residues by:" #~ msgstr "Colour residues by:" #~ msgid "Amino Colors" #~ msgstr "Amino Colours" #~ msgid "Hydrophobicity" #~ msgstr "Hydrophobicity" #~ msgid "Axes:" #~ msgstr "Axes:" #~ msgid "Cartesian Axes" #~ msgstr "Cartesian Axes" #~ msgid "Orthogonal Axes" #~ msgstr "Orthogonal Axes" #~ msgid "Axis 1:" #~ msgstr "Axis 1:" #~ msgid "Axis 2:" #~ msgstr "Axis 2:" #~ msgid "Axis 3:" #~ msgstr "Axis 3:" #~ msgid "Origin:" #~ msgstr "Origin:" #~ msgid "Norm" #~ msgstr "Norm" #~ msgid "Preserve vector norms" #~ msgstr "Preserve vector norms" #~ msgid "Atom Radius:" #~ msgstr "Atom Radius:" #~ msgid "Bond Radius:" #~ msgstr "Bond Radius:" #~ msgid "Shape" #~ msgstr "Shape" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Loop" #~ msgid "Dipole:" #~ msgstr "Dipole:" #~ msgid "Custom Vector" #~ msgstr "Custom Vector" #~ msgid "Custom:" #~ msgstr "Custom:" #~ msgid "Width:" #~ msgstr "Width:" #~ msgid "Cut-off radius:" #~ msgstr "Cut-off radius:" #~ msgid "Cut-off angle:" #~ msgstr "Cut-off angle:" #~ msgid "Rendering Engine:" #~ msgstr "Rendering Engine:" #~ msgid "TextRenderer" #~ msgstr "TextRenderer" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Text:" #~ msgid "Symbol & Number in Group" #~ msgstr "Symbol & Number in Group" #~ msgid "Symbol & Atom number" #~ msgstr "Symbol & Atom number" #~ msgid "Partial charge" #~ msgstr "Partial charge" #~ msgid "Residue number" #~ msgstr "Residue number" #~ msgid "Custom data" #~ msgstr "Custom data" #~ msgid "Change Font" #~ msgstr "Change Font" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Label Shift:" #~ msgid "Bond length" #~ msgstr "Bond length" #~ msgid "Bond number" #~ msgstr "Bond number" #~ msgid "Bond order" #~ msgstr "Bond order" #~ msgid "Lines" #~ msgstr "Lines" #~ msgid "Radius:" #~ msgstr "Radio :" #~ msgid "Include Nitrogens" #~ msgstr "Include Nitrogens" #~ msgid "VdW Opacity:" #~ msgstr "VdW Opacity:" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Render:" #~ msgstr "Render:" #~ msgid "Fill" #~ msgstr "Fill" #~ msgid "Points" #~ msgstr "Points" #~ msgid "Draw Box:" #~ msgstr "Draw Box:" #~ msgid "Style:" #~ msgstr "Style:" #~ msgid "Mapped Colors" #~ msgstr "Mapped Colours" #~ msgid "Positive" #~ msgstr "Positive" #~ msgid "Negative" #~ msgstr "Negative" #~ msgid "Show Atoms" #~ msgstr "Show Atoms" #~ msgid "Animate Trajectory" #~ msgstr "Animate Trajectory" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Loop" #~ msgid "Save as .avi..." #~ msgstr "Save as .avi..." #~ msgid "Angstroms" #~ msgstr "Angstroms" #~ msgid "Bohrs" #~ msgstr "Bohrs" #~ msgid "Fractional" #~ msgstr "Fractional" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, coords only" #~ msgid "GAMESS Input #2" #~ msgstr "GAMESS Input #2" #~ msgid "Priroda Input" #~ msgstr "Priroda Input" #~ msgid "Apply Changes" #~ msgstr "Apply Changes" #~ msgid "Cut All" #~ msgstr "Cut All" #~ msgid "Paste to the End" #~ msgstr "Paste to the End" #~ msgid "" #~ "\n" #~ "\n" #~ "

      Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

      " #~ msgstr "" #~ "\n" #~ "\n" #~ "

      Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

      " #~ msgid "(None)" #~ msgstr "(None)" #~ msgid "Sort by " #~ msgstr "Sort by " #~ msgid "Number of atoms:" #~ msgstr "Number of atoms:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Number of rotatable bonds:" #~ msgid "Add Constraints" #~ msgstr "Add Constraints" #~ msgid "Ignore Atom" #~ msgstr "Ignore Atom" #~ msgid "Fix Atom" #~ msgstr "Fix Atom" #~ msgid "Fix Atom X" #~ msgstr "Fix Atom X" #~ msgid "Fix Atom Y" #~ msgstr "Fix Atom Y" #~ msgid "Fix Atom Z" #~ msgstr "Fix Atom Z" #~ msgid "Torsion angle" #~ msgstr "Torsion angle" #~ msgid "Add" #~ msgstr "Add" #~ msgid "Save" #~ msgstr "Save" #~ msgid "Load" #~ msgstr "Load" #~ msgid "Atomic &identites:" #~ msgstr "Atomic &identites:" #~ msgid "Surface Slab Builder" #~ msgstr "Surface Slab Builder" #~ msgid "Plane:" #~ msgstr "Plane:" #~ msgid "&Miller Indices:" #~ msgstr "&Miller Indices:" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Warning: Use non-zero Miller Indices" #~ msgid "Width (x)" #~ msgstr "Width (x)" #~ msgid "Width (y)" #~ msgstr "Width (y)" #~ msgid "Height (z)" #~ msgstr "Height (z)" #~ msgid "length" #~ msgstr "length" #~ msgid "cell repeats" #~ msgstr "cell repeats" #~ msgid "&Translate " #~ msgstr "&Translate " #~ msgid "by arbitrary vector" #~ msgstr "by arbitrary vector" #~ msgid "selected atom to unit cell center" #~ msgstr "selected atom to unit cell centre" #~ msgid "Translation vector:" #~ msgstr "Translation vector:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "&Vector units:" #~ msgid "Cartesian" #~ msgstr "Cartesian" #~ msgid "&Translate" #~ msgstr "&Translate" #~ msgid "Crystal View Options" #~ msgstr "Crystal View Options" #~ msgid "Unit Cell Repeats:" #~ msgstr "Unit Cell Repeats:" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Draw Unit Cell(s)?" #~ msgid "One" #~ msgstr "One" #~ msgid "All" #~ msgstr "All" #~ msgid "Color..." #~ msgstr "Colour..." #~ msgid "View Along:" #~ msgstr "View Along:" #~ msgid "Default View" #~ msgstr "Default View" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Miller Indices" #~ msgid "File Import..." #~ msgstr "File Import..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Attempt to perceive bonds?" #~ msgid "Setup Force Field" #~ msgstr "Setup Force Field" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Number of steps" #~ msgid "Algorithm" #~ msgstr "Algorithm" #~ msgid "10e-" #~ msgstr "10e-" #~ msgid "Alanine" #~ msgstr "Alanine" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Arginine" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Asparagine" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "Aspartic acid" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Cysteine" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "Glutamic acid" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Glutamine" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Glycine" #~ msgid "Gly" #~ msgstr "Gly" #~ msgid "Histidine" #~ msgstr "Histidine" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "Isoleucine" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Valine" #~ msgstr "Valine" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyrosine" #~ msgstr "Tyrosine" #~ msgid "Tyr" #~ msgstr "Tyr" #~ msgid "Tryptophan" #~ msgstr "Tryptophan" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "Threonine" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "Serine" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Proline" #~ msgid "Phenylalanine" #~ msgstr "Phenylalanine" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "Methionine" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Lysine" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "Leucine" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "Sequence (N to C):" #~ msgid "Stereochemistry:" #~ msgstr "Stereochemistry:" #~ msgid "L" #~ msgstr "L" #~ msgid "N Terminus:" #~ msgstr "N Terminus:" #~ msgid "C Terminus:" #~ msgstr "C Terminus:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Structure:" #~ msgstr "Structure:" #~ msgid "Straight Chain" #~ msgstr "Straight Chain" #~ msgid "Alpha Helix" #~ msgstr "Alpha Helix" #~ msgid "Beta Sheet" #~ msgstr "Beta Sheet" #~ msgid "Pi Helix" #~ msgstr "Pi Helix" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "Psi:" #~ msgstr "Psi:" #~ msgid "Chain Number:" #~ msgstr "Chain Number:" #~ msgid "The chain number for the new peptide" #~ msgstr "The chain number for the new peptide" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Number of Residues:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energy (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Dipole Moment (D):" #~ msgid "select Fragment" #~ msgstr "select Fragment" #~ msgid "Basic" #~ msgstr "Basic" #~ msgid "Comment" #~ msgstr "Comment" #~ msgid "Frequency" #~ msgstr "Frequency" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Format" #~ msgstr "Format" #~ msgid "z-Matrix" #~ msgstr "z-Matrix" #~ msgid "z-Matrix compact" #~ msgstr "z-Matrix compact" #~ msgid "Advanced" #~ msgstr "Advanced" #~ msgid "Basis Set" #~ msgstr "Basis Set" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "RijCosX" #~ msgstr "RijCosX" #~ msgid "Aux. Basis Set" #~ msgstr "Aux. Basis Set" #~ msgid "Aux. ECP" #~ msgstr "Aux. ECP" #~ msgid "Relativistic" #~ msgstr "Relativistic" #~ msgid "ZORA" #~ msgstr "ZORA" #~ msgid "IORA" #~ msgstr "IORA" #~ msgid "DKH" #~ msgstr "DKH" #~ msgid "Order" #~ msgstr "Order" #~ msgid "Corr. Aux. Basis Set" #~ msgstr "Corr. Aux. Basis Set" #~ msgid "Corr. ECP" #~ msgstr "Corr. ECP" #~ msgid "Run type" #~ msgstr "Run type" #~ msgid "MOs" #~ msgstr "MOs" #~ msgid "Basis Sets" #~ msgstr "Basis Sets" #~ msgid "Printlevel" #~ msgstr "Printlevel" #~ msgid "Small" #~ msgstr "Small" #~ msgid "Large" #~ msgstr "Large" #~ msgid "Damping" #~ msgstr "Damping" #~ msgid "Factor" #~ msgstr "Factor" #~ msgid "" #~ "

      select only if no defaults are wanted

      " #~ msgstr "" #~ "

      select only if no defaults are wanted

      " #~ msgid "Accuracy" #~ msgstr "Accuracy" #~ msgid "Tight SCF" #~ msgstr "Tight SCF" #~ msgid "Very Tight SCF" #~ msgstr "Very Tight SCF" #~ msgid "Extreme SCF" #~ msgstr "Extreme SCF" #~ msgid "KDIIS" #~ msgstr "KDIIS" #~ msgid "Levelshift " #~ msgstr "Levelshift " #~ msgid "Levelshift" #~ msgstr "Levelshift" #~ msgid "2nd Order" #~ msgstr "2nd Order" #~ msgid "SOSCF" #~ msgstr "SOSCF" #~ msgid "NRSCF" #~ msgstr "NRSCF" #~ msgid "AHSCF" #~ msgstr "AHSCF" #~ msgid "max. SCF iterations" #~ msgstr "max. SCF iterations" #~ msgid "SCF Type" #~ msgstr "SCF Type" #~ msgid "restricted" #~ msgstr "restricted" #~ msgid "unrestricted" #~ msgstr "unrestricted" #~ msgid "restricted open-shell" #~ msgstr "restricted open-shell" #~ msgid "SFitting" #~ msgstr "SFitting" #~ msgid "GridX" #~ msgstr "GridX" #~ msgid "FinalGridX" #~ msgstr "FinalGridX" #~ msgid "Grid" #~ msgstr "Grid" #~ msgid "FinalGrid" #~ msgstr "FinalGrid" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray Export" #~ msgid "Select..." #~ msgstr "Select..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Use full scene antialiasing" #~ msgid "Antialias" #~ msgstr "Antialias" #~ msgid "Set the background color to be transparent" #~ msgstr "Set the background colour to be transparent" #~ msgid "Alpha transparency" #~ msgstr "Alpha transparency" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Render the molecule directly using command line POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Keep the POV-Ray source after rendering has completed" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Keep POV-Ray source after rendering" #~ msgid "Path:" #~ msgstr "Path:" #~ msgid "Abinit Input" #~ msgstr "Abinit Input" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Cartesian (Angstrom)" #~ msgid "Reduced" #~ msgstr "Reduced" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Plane Wave cutoff (Ha):" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Tolerance on forces(Ha/bohr):" #~ msgid "Max lattice expansion:" #~ msgstr "Max lattice expansion:" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "k-point shift:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Number of bands:" #~ msgid "# k-point shifts:" #~ msgstr "# k-point shifts:" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "Double grid PW cutoff (Ha):" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Occupation scheme:" #~ msgid "SCF tolerance type:" #~ msgstr "SCF tolerance type:" #~ msgid "Wave Function norm" #~ msgstr "Wave Function norm" #~ msgid "Total Potential" #~ msgstr "Total Potential" #~ msgid "Relative Force" #~ msgstr "Relative Force" #~ msgid "1 - semiconducting" #~ msgstr "1 - semiconducting" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - Cold Smearing (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 - Gaussian smearing" #~ msgid "Smearing width (Ha):" #~ msgstr "Smearing width (Ha):" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - no moving ions " #~ msgid "1 - viscous damping" #~ msgstr "1 - viscous damping" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS with energy" #~ msgid "# Geometrical time steps:" #~ msgstr "# Geometrical time steps:" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Kinetic Energy smoothing (Ha):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Compute..." #~ msgid "Dalton Input" #~ msgstr "Dalton Input" #~ msgid "Basics" #~ msgstr "Basics" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "Basis Set:" #~ msgstr "Basis Set:" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Pople-style" #~ msgid "Jensen's polarization consistent" #~ msgstr "Jensen's polarisation consistent" #~ msgid "Dunning's correlation consistent" #~ msgstr "Dunning's correlation consistent" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Core correlating functions" #~ msgid "Diffuse functions" #~ msgstr "Diffuse functions" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Direct" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgid "Parallel" #~ msgstr "Parallel" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Grid Specification" #~ msgid "Partitioning Scheme:" #~ msgstr "Partitioning Scheme:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (original)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Grid Quality:" #~ msgid "coarse" #~ msgstr "coarse" #~ msgid "normal" #~ msgstr "normal" #~ msgid "fine" #~ msgstr "fine" #~ msgid "ultrafine" #~ msgstr "ultrafine" #~ msgid "Radial Scheme:" #~ msgstr "Radial Scheme:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Show all functionals" #~ msgid "Property:" #~ msgstr "Property:" #~ msgid "Polarizability" #~ msgstr "Polarisability" #~ msgid "Frequency Dependent" #~ msgstr "Frequency Dependent" #~ msgid "No. excitations:" #~ msgstr "No. excitations:" #~ msgid "EFP Matches" #~ msgstr "EFP Matches" #~ msgid "Group Label:" #~ msgstr "Group Label:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Advanced Setup" #~ msgid "Hessian" #~ msgstr "Hessian" #~ msgid "Stat Point" #~ msgstr "Stat Point" #~ msgid "System" #~ msgstr "System" #~ msgid "MO Guess" #~ msgstr "MO Guess" #~ msgid "Misc" #~ msgstr "Misc" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Heavy Atom Polarisation Functions:" #~ msgid "Read" #~ msgstr "Read" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Diffuse S-Shell on Heavy Atoms" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Diffuse L-Shell on Heavy Atoms" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Double Zeta Valence" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Triple Zeta Valence" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA Valence" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt Valence" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP Type:" #~ msgid "Default" #~ msgstr "Default" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Heavy Atom Polarization Functions:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#light Atom Polarization Functions:" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Max SCF Iterations:" #~ msgstr "Max SCF Iterations:" #~ msgid "Gradient" #~ msgstr "Gradient" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "Saddle Point" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Gradient Extremal" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Radiative Transition mom." #~ msgid "Spin Orbit" #~ msgstr "Spin Orbit" #~ msgid "Finite Electric Field" #~ msgstr "Finite Electric Field" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Global Optimization" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO Optimization" #~ msgid "Raman Intensities" #~ msgstr "Raman Intensities" #~ msgid "Make EFP" #~ msgstr "Make EFP" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "None (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF Type:" #~ msgid "Localization Method:" #~ msgstr "Localization Method:" #~ msgid "Exec Type:" #~ msgstr "Exec Type:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinant" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Occupation Restricted Multiple Active Space" #~ msgid "CI Singles" #~ msgstr "CI Singles" #~ msgid "Full Second Order CI" #~ msgstr "Full Second Order CI" #~ msgid "General CI" #~ msgstr "General CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Linearised CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC with Doubles" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC with Singles and Doubles" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Normal Run" #~ msgid "Check" #~ msgstr "Check" #~ msgid "Debug" #~ msgstr "Debug" #~ msgid "Molecule Charge:" #~ msgstr "Molecule Charge:" #~ msgid "Run Type:" #~ msgstr "Run Type:" #~ msgid "Use MP2" #~ msgstr "Use MP2" #~ msgid "Use DFT" #~ msgstr "Use DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# of Z-Matrix Variables" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Order of Principal Axis:" #~ msgid "Coordinate Type:" #~ msgstr "Coordinate Type:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Unique cartesian Coords." #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrant internals" #~ msgid "MOPAC Z-Matrix" #~ msgstr "MOPAC Z-Matrix" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Use Symmetry During Calculation" #~ msgid "Point Group:" #~ msgstr "Point Group:" #~ msgid "Minutes" #~ msgstr "Minutes" #~ msgid "Hours" #~ msgstr "Hours" #~ msgid "Days" #~ msgstr "Days" #~ msgid "Weeks" #~ msgstr "Weeks" #~ msgid "Years" #~ msgstr "Years" #~ msgid "Millenia" #~ msgstr "Millenia" #~ msgid "MegaWords" #~ msgstr "MegaWords" #~ msgid "MegaBytes" #~ msgstr "MegaBytes" #~ msgid "GigaWords" #~ msgstr "GigaWords" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Force Parallel Methods" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Produce \"core\" file upon abort" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memory:" #~ msgid "Diagonalization Method:" #~ msgstr "Diagonalisation Method:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Parallel Load Balance Type" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Loop" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Next Value" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Use External Data Representation for Messages" #~ msgid "Initial Guess:" #~ msgstr "Initial Guess:" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO Read ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO Saved (DICTNRY)" #~ msgid "Skip" #~ msgstr "Skip" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Rotate Alpha and Beta Orbitals" #~ msgid "Print the Initial Guess" #~ msgstr "Print the Initial Guess" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "GAMESS Interface to Other Codes" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Force a Check Run Type" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK Version)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussian 9x" #~ msgid "Solvate with Water" #~ msgstr "Solvate with Water" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Generate UHF Natural Orbitals" #~ msgid "Direct SCF" #~ msgstr "Direct SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Compute Only Changed in Fock Matrix" #~ msgid "Slater exchange" #~ msgstr "Slater exchange" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 exchange" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr correlation" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater exchange + VWN correlation" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE exchange + VWN5 correlation" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE exchange + LYP correlation" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill 1996 exchange" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: One-parameter Progressive correlation" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP correlation" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE exchange + OP correlation" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL exchange + VWN5 correlation" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL exchange + LYP correlation" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE exchange + VWN6 correlation" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE exchange +LYP correlation" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE exchange + OP correlation" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgid "Grid-Free" #~ msgstr "Grid-Free" #~ msgid "DFT Functional:" #~ msgstr "DFT Functional:" #~ msgid "AO Integral Storage" #~ msgstr "AO Integral Storage" #~ msgid "Duplicated on Each Node" #~ msgstr "Duplicated on Each Node" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distributed Across All Nodes" #~ msgid "words" #~ msgstr "words" #~ msgid "Compute MP2 Properties" #~ msgstr "Compute MP2 Properties" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Integral Retention Cutoff:" #~ msgid "Use Localized Orbitals" #~ msgstr "Use Localised Orbitals" #~ msgid "# of Core Electrons:" #~ msgstr "# of Core Electrons:" #~ msgid "Transformation Method" #~ msgstr "Transformation Method" #~ msgid "Two Phase Bin Sort" #~ msgstr "Two Phase Bin Sort" #~ msgid "Segmented Transformation" #~ msgstr "Segmented Transformation" #~ msgid "Numeric" #~ msgstr "Numeric" #~ msgid "Double Differenced Hessian" #~ msgstr "Double Differenced Hessian" #~ msgid "Print Internal Force Constants" #~ msgstr "Print Internal Force Constants" #~ msgid "Displacement Size:" #~ msgstr "Displacement Size:" #~ msgid "Purify Hessian" #~ msgstr "Purify Hessian" #~ msgid "Frequency Scale Factor:" #~ msgstr "Frequency Scale Factor:" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Initial Hessian" #~ msgid "Guess (+ define)" #~ msgstr "Guess (+ define)" #~ msgid "Read (from $HESS)" #~ msgstr "Read (from $HESS)" #~ msgid "Update Step Size" #~ msgstr "Update Step Size" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Print Orbs at Each Iteration" #~ msgid "Jump Size:" #~ msgstr "Jump Size:" #~ msgid "Stationary Point" #~ msgstr "Stationary Point" #~ msgid "Initial:" #~ msgstr "Initial:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Rational Function Optimisation" #~ msgid "Quadratic Approximation" #~ msgstr "Quadratic Approximation" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Constrained Optimisation" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Recalculate Hessian Every:" #~ msgid "Follow Mode:" #~ msgstr "Follow Mode:" #~ msgid "GAMESS-UK Input" #~ msgstr "GAMESS-UK Input" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "GAMESS-UK input generated by Avogadro" #~ msgid "Transition State Search" #~ msgstr "Transition State Search" #~ msgid "Basis:" #~ msgstr "Basis:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Z-matrix" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgid "Run in direct mode:" #~ msgstr "Run in direct mode:" #~ msgid "Gaussian Input" #~ msgstr "Gaussian Input" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Standard" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Checkpoint:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-matrix (compact)" #~ msgid "MOLPRO Input" #~ msgstr "MOLPRO Input" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Molpro Version:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "MOPAC Input" #~ msgid "Quartet" #~ msgstr "Quartet" #~ msgid "Quintet" #~ msgstr "Quintet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "NWChem Input" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem Input" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "TeraChem Input" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Unrestricted" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "no" #~ msgid "yes" #~ msgstr "yes" #~ msgid "D2" #~ msgstr "D2" #~ msgid "D3" #~ msgstr "D3" #~ msgid "Dispersion:" #~ msgstr "Dispersion:" #~ msgid "Load Shaders" #~ msgstr "Load Shaders" #~ msgid "Shader Name:" #~ msgstr "Shader Name:" #~ msgid "Vertex Shader:" #~ msgstr "Vertex Shader:" #~ msgid "Fragment Shader:" #~ msgstr "Fragment Shader:" #~ msgid "Assign Shader" #~ msgstr "Assign Shader" #~ msgid "Display Type:" #~ msgstr "Display Type:" #~ msgid "Font:" #~ msgstr "Font:" #~ msgid "Change Font..." #~ msgstr "Change Font..." #~ msgid "Foreground:" #~ msgstr "Foreground:" #~ msgid "New..." #~ msgstr "New..." #~ msgid "Rename..." #~ msgstr "Rename..." #~ msgid "&Schemes:" #~ msgstr "&Schemes:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Width:" #~ msgid "&Height" #~ msgstr "&Height" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "px" #~ msgstr "px" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Use an optimised value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Auto-adjust F&ont Size" #~ msgid "Spectra Tab" #~ msgstr "Spectra Tab" #~ msgid "&Gaussian Width:" #~ msgstr "&Gaussian Width:" #~ msgid "&Label peaks" #~ msgstr "&Label peaks" #~ msgid "Rotatory Strength type:" #~ msgstr "Rotatory Strength type:" #~ msgid "Energy units:" #~ msgstr "Energy units:" #~ msgid "Density units" #~ msgstr "Density units" #~ msgid "Fermi Energy: " #~ msgstr "Fermi Energy: " #~ msgid "States / Cell" #~ msgstr "States / Cell" #~ msgid "States / Atom" #~ msgstr "States / Atom" #~ msgid "States / Valence electron" #~ msgstr "States / Valence electron" #~ msgid "Fermi energy at zero" #~ msgstr "Fermi energy at zero" #~ msgid "Scale integrated DOS" #~ msgstr "Scale integrated DOS" #~ msgid "Show integrated DOS" #~ msgstr "Show integrated DOS" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "&Y Axis Units:" #~ msgid "Scaling Type:" #~ msgstr "Scaling Type:" #~ msgid "Relative" #~ msgstr "Relative" #~ msgid "Laser Wavenumber:" #~ msgstr "Laser Wavenumber:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Nucleus:" #~ msgstr "Nucleus:" #~ msgid "Gaussian &Width:" #~ msgstr "Gaussian &Width:" #~ msgid "Reset &Plot Axes" #~ msgstr "Reset &Plot Axes" #~ msgid "Label Peaks:" #~ msgstr "Label Peaks:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Molecular Vibrations" #~ msgid "Filter: " #~ msgstr "Filter: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Activity (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Show Spectra..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "higher frequency vibrations will show faster movement" #~ msgid "Animation speed set by frequency" #~ msgstr "Animation speed set by frequency" #~ msgid "Display force &vectors" #~ msgstr "Display force &vectors" #~ msgid "&Normalize displacements" #~ msgstr "&Normalise displacements" #~ msgid "&Recalculate All" #~ msgstr "&Recalculate All" #~ msgid "Default &Quality:" #~ msgstr "Default &Quality:" #~ msgid "Show occupied orbitals first" #~ msgstr "Show occupied orbitals first" #~ msgid "Limit orbital precalculations to " #~ msgstr "Limit orbital precalculations to " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "orbitals around HOMO/LUMO" #~ msgid "Surface Type:" #~ msgstr "Surface Type:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Low" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Medium" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "High" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Very High" #~ msgid "Isosurface cutoff value" #~ msgstr "Isosurface cutoff value" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "In Display Type:" #~ msgid "New Display" #~ msgstr "New Display" #~ msgid "Advanced..." #~ msgstr "Advanced..." #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "&Length:" #~ msgid "Uni&t:" #~ msgstr "Uni&t:" #~ msgid "periodic units" #~ msgstr "periodic units" #~ msgid "angstrom" #~ msgstr "angstrom" #~ msgid "bohr radii" #~ msgstr "bohr radii" #~ msgid "nanometers" #~ msgstr "nanometres" #~ msgid "&Cap with hydrogen" #~ msgstr "&Cap with hydrogen" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgid "Find &double bonds" #~ msgstr "Find &double bonds" #~ msgid "Molecular Symmetry" #~ msgstr "Molecular Symmetry" #~ msgid "VRML Export" #~ msgstr "VRML Export" #~ msgid "Scale (mm/Å):" #~ msgstr "Scale (mm/Å):" #~ msgid "Smallest sphere (mm): " #~ msgstr "Smallest sphere (mm): " #~ msgid "Thinnest cylinder (mm): " #~ msgstr "Thinnest cylinder (mm): " #~ msgid "Calculate Size..." #~ msgstr "Calculate Size..." #~ msgid "Display visual cues" #~ msgstr "Display visual cues" #~ msgid "Python Settings" #~ msgstr "Python Settings" #~ msgid "Z Matrix Editor" #~ msgstr "Z Matrix Editor" avogadrolibs-1.100.0/i18n/en_CA.po000066400000000000000000013336141474375334400164420ustar00rootroot00000000000000# English (United Kingdom) translation for avogadro # Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 # This file is distributed under the same licence as the avogadro package. # My Random Thoughts , 2021. # J. Lavoie , 2021. # ovari , 2022. # Geoff Hutchison , 2023. # matterhorn103 , 2023. # "Carson Geller (Cart)" , 2024. # Eisuke Kawashima , 2024. # btbt_bt , 2024. # Distant Prince , 2024. msgid "" msgstr "" "Project-Id-Version: _avogadro-en_GB\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2024-12-16 11:14+0000\n" "Last-Translator: Distant Prince \n" "Language-Team: English (Canada) \n" "Language: en_CA\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.9-rc\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Batch Job #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "No message specified." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "Non-string warning returned." #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "'warnings' member is not an array." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Reference file '%1' does not exist." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "Error populating file %1: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Malformed file entry at index %1: Not an object." #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "'files' member not an array." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "'files' member missing." #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "'mainFile' member does not refer to an entry in 'files'." #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "'mainFile' member must be a string." #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "Response must be a JSON object at top-level." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Script output:\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Error saving molecule representation to string: Unrecognized file format: %1" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Error saving molecule representation to string: %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "Input Generator (error)" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "%1 Input Generator" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Continue" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Close" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Unknown" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[1] "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Overwrite modified input files?" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "Problems occurred during input generation:" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "No input files to save!" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "Cannot connect to MoleQueue" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "Submit %1 Calculation" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "Job Failed" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "The job did not complete successfully." #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "Script returns warnings:\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "Hide &Warnings" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "Show &Warnings" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "An error has occurred:" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "Select output filename" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "Internal error: could not find text widget for filename '%1'" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Output Error" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Failed to write to file %1." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Select output directory" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Directory does not exist!" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Directory cannot be read!" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: File will be overwritten." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: File is not writable." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "The input files cannot be written due to an unknown error." #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "The input files cannot be written:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Write input files" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "Configure Job" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Submitting job to MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Job Submission Timeout" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro timed out waiting for a reply from MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Waiting for job %1 “%2” to finish…" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "Stop waiting" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "Fetching completed job information…" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "Job Retrieval Timeout" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro timed out waiting for the finished job details from MoleQueue." #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "Error Submitting Job" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "The job has been rejected by MoleQueue: %1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "No program selected." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "Please select the target program from the \"Queue and Program\" list." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Client failed to submit job to MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Internal error." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Unable to resolve program selection. This is a bug." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "No molecule set in BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "No Io::FileFormat set in BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "No file name set in BackgroundFileFormat!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "Split Horizontal" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "Split Vertical" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Hydrogen" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Lithium" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Beryllium" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Boron" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Carbon" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Nitrogen" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Oxygen" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluorine" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Sodium" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnesium" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Aluminium" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silicon" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Phosphorus" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Sulphur" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Chlorine" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Potassium" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Calcium" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Scandium" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titanium" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadium" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Chromium" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Manganese" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Iron" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Cobalt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nickel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Copper" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Zinc" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsenic" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selenium" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Bromine" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Yttrium" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirconium" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niobium" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molybdenum" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Technetium" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Ruthenium" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rhodium" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Silver" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Cadmium" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Tin" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimony" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Tellurium" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Iodine" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Caesium" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lanthanum" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cerium" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodymium" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodymium" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Promethium" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Thulium" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantalum" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Tungsten" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Rhenium" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platinum" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Gold" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Mercury" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Thallium" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Lead" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bismuth" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astatine" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Actinium" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Thorium" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protactinium" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uranium" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Americium" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Californium" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Roentgenium" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Copernicium" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moscovium" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tennessine" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "Browse" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "Select file:" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "Select executable:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "Unable to find a suitable file reader for the selected file." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "Unable to find a suitable file writer for the selected format." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "handlers" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "handle" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "readers" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "read" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "writers" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "write" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "Multiple %1 found that can %2 this format. Which should be used?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "All files" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "All supported formats" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "Error reading molecule representation: Unrecognized file format: %1" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "%1 Message" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Error writing molecule representation to string: Unrecognized file format: %1" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Error writing molecule representation to string: %1" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "'userOptions' missing." #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "Option '%1' does not refer to an object." #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type' is not a string for option '%1'." #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "Could not find option '%1'." #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "Tab %1" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Title" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "Filename Base" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "Processor Cores" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "Calculation Type" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "Theory" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Basis" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "Charge" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "Multiplicity" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "Error: value must be object for key '%1'." #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Unrecognized option type '%1' for option '%2'." #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "Error setting default for option '%1'. Bad widget type." #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "Error setting default for option '%1'. Bad default value:" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Unhandled widget in collectOptions for option '%1'." #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "[no molecule]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "Layer %1" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Ball and Stick" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Cartoons" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Close Contacts" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Crystal Lattice" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipole Moment" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Force" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "Labels" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Licorice" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "Meshes" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "Non-Covalent" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Symmetry Elements" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Wireframe" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "Untitled" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "Create a new view" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodic Table" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "Error running script '%1 %2': Timed out waiting for start (%3)." #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "Error running script '%1 %2': Timed out waiting for finish (%3)." #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "Warning '%1'" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "Script failed to start." #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "Script crashed." #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "Script timed out." #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "Read error." #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "Write error." #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "Unknown error." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Modify Layers" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Remove Layer" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Remove Layer Info" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Add Layer" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Add Layer Info" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "Change Layer" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Add Atom" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Remove Atom" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "Clear Atoms" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Adjust Hydrogens" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Change Elements" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Change Element" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "Change Atom Hybridization" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "Change Atom Formal Charge" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "Change Atom Color" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "Change Atom Layer" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Add Bond" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "Removed Bond" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "Clear Bonds" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "Set Bond Orders" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Change Bond Order" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "Update Bonds" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "Update Bond" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "Add Unit Cell…" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "Remove Unit Cell" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "Edit Unit Cell" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "&Wrap Atoms to Cell" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "Scale Cell Volume" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "Build Super Cell" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "Niggli Reduction" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "Rotate to Standard Orientation" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "Reduce to Primitive" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "Conventionalize Cell" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "Symmetrize Cell" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Fill Unit Cell" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "Reduce Cell to Asymmetric Unit" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "Change Atom Positions" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "Change Atom Position" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "Change Atom Label" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "Change Selection" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Modify Molecule" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "Settings" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "Cannot load script %1" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "Checking for %1 scripts in path %2" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3DMol HTML Block." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&File" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "&Export" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Build" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Align" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centred at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCentre the atom at the origin." #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Axis:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Align at Origin" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "Align to Axis" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "Center the atom at the origin." #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "Rotate the molecule to align the atom to the specified axis." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Align tool" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Align molecules to a Cartesian axis" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "Run APBS…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Open Output File…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "&Input" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "Open Output File" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX File (*.dx)" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "IO Error" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "Error reading structure file (%1)." #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "OpenDX Error" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Error reading OpenDX file: %1" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "Error reading OpenDX file: No cube found" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Interact with APBS utilities." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Open PDB File" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB Files (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Open PQR File" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR Files (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Error" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Error running APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Please specify PDB file" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Save APBS Input File" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "APBS Input (*.in)" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "Success" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Input file written to '%1'" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "By Custom Colour…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "By Atomic Index…" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "By Distance…" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "By Element" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "By Chain" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "By Partial Charge…" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "By Secondary Structure" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "By Amino Acid" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "By Shapely Scheme" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "Heat" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "Hot" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "Grey" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "Spectral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "Coolwarm" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "Balance" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Blue-DarkRed" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "Apply colour schemes to atoms and residues." #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&View" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "Colour Atoms" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "Colour Residues" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "Select Colourmap" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "Colourmap:" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "ApplyColours" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Atom scale" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Bond scale" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "Opacity" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Show multiple bonds" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Show hydrogens" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Render atoms as spheres and bonds as cylinders." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Bond-Centric Manipulation" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "%L1°" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "%L1 Å" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Bond centric manipulation tool." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Tool used to edit molecular geometry by changing bond lengths and angles." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Bond Atoms" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "Perceive Bond Orders" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Remove Bonds" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Configure Bonding…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "Bond Selected Atoms" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "Bond" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "Remove bonds from all or selected atoms." #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "Create bonds between all or selected atoms." #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "Perceive bond orders." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Bonding" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Perform bonding operations." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "Backbone" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Trace" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Tube" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Ribbon" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Simple Cartoon" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Cartoon" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Rope" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Display of biomolecule ribbons/cartoons." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Add Centroid" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Add Centre of Mass" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Add Perpendicular" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Centroid" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Add centroids and centre-of-mass." #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "Maximum distance:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Line width:" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Render close contacts between atoms." #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "Contact" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "Salt Bridge" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "Repulsive" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "Edit Colour Opacity Map…" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Extensions" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "ColourOpacityMap" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "Edit colour opacity maps, primarily for volume rendering." #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Error reading output file '%1':\n" "%2" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "Processing %1" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "Set path to Python interpreter:" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Select the Python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "Command scripts" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "Run external script commands" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "Python Settings…" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "Install Python" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Python is used for many Avogadro features. Do you want to download Python?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "ConfigurePython" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Configure Python environments." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "Other…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Atomic &Coordinate Editor…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Coordinate editor" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Text editing of atomic coordinates." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Overwrite changes?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Too few entries on line." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Invalid element name." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Element name." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Invalid element symbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Element symbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "Invalid atom label." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Invalid atomic index." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Atomic index." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Invalid atomic number." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Atomic number." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Invalid coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Error applying geometry" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Edit Atomic Coordinates" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Custom" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ format (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ format (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ format (atomic numbers)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Lattice coordinates (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Lattice coordinates (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Lattice coordinates (atomic numbers)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "GAMESS format (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "GAMESS format (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Turbomole format" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "Copy" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "InChI" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "Cut" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "Clear" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "&Paste" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "&Edit" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "Copy As" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "Error Clipping Molecule" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "Error generating clipboard data." #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Output format: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Reader error:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "Error Pasting Molecule" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Cannot paste molecule: Clipboard empty!" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "Error reading clipboard data." #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Detected format: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Copy and paste" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Interact with the clipboard." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2K input" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "Generate input for CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energy" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "Energy and Forces" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "Molecular Dynamics" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "Geometry Optimization" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "Electronic structure methods (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "Molecular Mechanics" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Hybrid quantum classical (Not yet supported)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "NONE" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "ATOMIC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "CORE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "DENSITIES" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "HISTORY_RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "RANDOM" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "SPARSE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "Conjugate Gradients" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "Steepest descent" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "Overwrite modified input file?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "Save CP2K input file" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "Submit CP2K Calculation" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Import Crystal from Clipboard…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Toggle Unit Cell" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Edit Unit Cell…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Wrap Atoms to Unit Cell" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Rotate to Standard &Orientation" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Scale Cell &Volume…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "Build &Supercell…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Reduce Cell (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "&Crystal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Remove &Unit Cell" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Add &Unit Cell" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "Import Crystal from Clipboard" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "Wrap atoms into the unit cell." #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "Rotate the unit cell to the standard orientation." #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "Niggli Reduce Crystal" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "The unit cell is already reduced." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Crystal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Tools for crystal-specific editing/analysis." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "Colour axes:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Line colour:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Render the unit cell boundaries." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Cannot Parse Text" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Failed to read the data with the supplied format." #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "No unit cell present." #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "Reassign &Custom Elements…" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "Manipulate custom element types in the current molecule." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Custom Elements" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "Render the dipole moment of the molecule." #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Draw" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Draw Atom" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "Change Bond Type" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "Remove Bond" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Distance:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "%1 %L2" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Editor tool" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "Automatic" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Single" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Double" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Triple" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "&Import" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "Fetch PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "Could not read the PDB molecule: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB Code" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Chemical structure to download." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Invalid PDB Code" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "The PDB code must be exactly 4 characters long." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "The first character of the PDB code must be 1-9." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "Querying for %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Network Download Failed" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Network timeout or other error." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Specified molecule could not be found: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Fetch from PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "Download PDB models from the Protein Data Bank" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "Focus Selection" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "Unfocus" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Focus" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Focus the view on specific features." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Render the force field visualizations for the atoms of the molecule." #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "Optimize Geometry" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "Forces" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "Configure…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "Freeze Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "Unfreeze Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "&Calculate" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "No atoms provided for optimization" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 Energy = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 Force Norm = %L2" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "Force field optimization" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "Force field minimization, including scripts" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Autodetect (%1)" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "Universal Force Field" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "Generalized Amber Force Field" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "Merck Molecular Force Field 94" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "Error retrieving metadata for energy script: %1" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "Error parsing metadata for energy script: %1" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESS input" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Generate input for GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "Single Point" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Equilibrium Geometry" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Transition State" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Frequencies" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Core Potential" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Water" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Doublet" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Dication" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Cation" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neutral" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "Save GAMESS input file" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "Submit GAMESS Calculation" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Adjust Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Add Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Remove E&xtra Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Remove All Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "Add/remove hydrogens from the current molecule." #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "&Hydrogens" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hydrogens" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "&Search PQR…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Import From PQR" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Download a molecule from PQR." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Insert" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "Insert DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "Uracil" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "Thymine" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "Insert Molecule…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "Generating 3D molecule…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "Insert DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "Insert DNA / RNA fragments through a dialog." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "Molecule…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Crystal…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "Error reading file (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "Import Crystal" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Insert Fragment" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Insert Fragment" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Insert molecular fragments for building larger molecules." #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "Colour:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "Distance from center:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "None" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "Index" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "Unique ID" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "Element & Number" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "Element & ID" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "Partial Charge" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "Atom Label:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "Name" #: qtplugins/label/label.cpp:236 msgid " & " msgstr " & " #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "Residue Label:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Display labels on ball-and-stick style." #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "Edit Labels" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "Create Label" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "Label editor tool" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPS input" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Generate input for LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Opacity:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "Render atoms as licorice/sticks." #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "No descriptors found!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "No line format readers found!" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "Unable to load requested format reader." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "LineFormatInput" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "Load single-line molecule descriptors through an input dialog." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipulate" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Manipulate tool" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Measure" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Dihedral:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Angle:" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "Angles:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Measure tool" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "Render polygon meshes." #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(pending)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "unknown molecule" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "Property" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "Molecule Name" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "Molecular Mass (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "Chemical Formula" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "Number of Atoms" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "Number of Bonds" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "Coordinate Sets" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "Number of Residues" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "Number of Chains" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "Net Charge" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "Net Spin Multiplicity" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "Dipole Moment (Debye)" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "HOMO Energy (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "LUMO Energy (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "SOMO Energy (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "Total Energy (Hartree)" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "Zero Point Energy (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "Enthalpy (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "Entropy (kcal/mol•K)" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "Gibbs Free Energy (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "Point Group" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "&Molecular…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "View general properties of a molecule." #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "&Analysis" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Properties" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Molecular Properties" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Molecule Properties" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "Export CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV Files (*.csv);;All Files (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "Could not open the file for writing." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "Error writing to the file." #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "Export…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigate" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "Rotate the scene along the x, y, or z axes." #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "Zoom the scene." #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "Translate the scene." #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "Reverse Direction of Zoom on Scroll" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Navigate tool" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Chemical Name" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Network Databases" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Interact with online databases, query structures etc." #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "Angle tolerance:" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Render a few non-covalent interactions." #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "Halogen" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "Chalcogen" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "Configure Force Field…" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "Conformer Search…" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "Perceive Bonds" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "Add Hydrogens for pH…" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "Remove Hydrogens" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1 not found! Disabling Open Babel plugin actions." #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "The Open Babel file formats are not ready to be added." #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "Loading molecule from Open Babel…" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "An error occurred while running Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "Error parsing openbabel output." #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "An error occurred while retrieving the list of supported force fields. " "(using '%1')." #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molecule invalid. Cannot optimize geometry." #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "Cannot optimize geometry with Open Babel." #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "Optimizing Geometry (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "Generating…" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Starting %1…" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "Updating molecule…" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "Error interpreting Open Babel output." #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "Molecule invalid. Cannot generate conformers." #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "Cannot generate conformers with Open Babel." #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "Generating Conformers (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "Generate Conformers" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "Cannot open file with Open Babel." #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Invalid molecule: Cannot perceive bonds." #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "Perceiving Bonds (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "Generating XYZ representation…" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "Error generating XYZ string." #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Converting XYZ to Open Babel with %1…" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "Updating molecule from Open Babel…" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "Cannot add hydrogens with Open Babel." #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "Adding Hydrogens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "Generating Open Babel input…" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "Error generating Open Babel input." #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "Running %1…" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "Add hydrogens for pH" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "Generating obabel input…" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "Cannot remove hydrogens with Open Babel." #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "Removing Hydrogens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "Error generating Open Babel data." #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "Reading obabel output…" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Already running Open Babel. Wait for the other operation to complete and try " "again." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Interact with OpenBabel utilities." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "&OpenMM Script…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMM input" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Generate input for OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "True" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "Reference Axes" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "Reference Axes Overlay" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "Render reference axes in the corner of the display." #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "Player" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "Animation Tool \t(%1)" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "Play" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Stop" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "Frame rate:" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "Frame:" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " of %0" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "Dynamic bonding?" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "Record Movie…" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "Movie (*.mp4)" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "Export Bitmap Graphics" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "GIF FPS support warning" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "The GIF file format does not support frame rates over 100 FPS." #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "Movie (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "Error: cannot add frame to video." #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "Cannot save file %1." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Player tool" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Play back trajectories" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "Plot Pair Distribution Function…" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "Failed to generate PDF pattern" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "Error message: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Generate and plot a Pair Distribution Function curve." #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "Plot RMSD curve…" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "PlotRmsd" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "Generate and plot an RMSD curve." #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "Plot Theoretical XRD Pattern…" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "Failed to generate XRD pattern" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "Failed to convert molecule to CIF format." #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Data read from genXrdPattern appears to be corrupt!" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "Error: could not find genXrdPattern executable!" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "Error: " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Generate and plot a theoretical XRD pattern using ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "Update" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "Version" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "Description" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "Error downloading plugin data." #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "Error parsing plugin data." #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "Always" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "Never" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "Failed to download from %1: status code %2, %3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Downloading %1 to %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Extracting %1 to %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "Finished %1 files\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "Extraction successful\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "Error while extracting: %1" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "Download Plugins…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Download Plugins" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Download plugins from GitHub repositories." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY Render…" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "Save File" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Text file (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "Render the scene using PLY." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray Render…" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Text file (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Render the scene using POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Valence" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "Formal Charge" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "%1 Partial Charge" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "Colour" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Type" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "Start Atom" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "End Atom" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "Bond Order" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Length (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "Chain" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "Secondary Structure" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "Heterogen" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "Atom 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Vertex" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "Atom 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "Angle (°)" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "Atom 2" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "Atom 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "Energy (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "Adjust Fragment" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "π-Helix" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "Bend" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "α-Helix" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "β-Sheet" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 helix" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "β-Bridge" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "Turn" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "Coil" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Atom Properties…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Bond Properties…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Angle Properties…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Torsion Properties…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Residue Properties…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "Conformer Properties…" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" "Tables for displaying and editng atom, bond, angle, and torsion properties." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "PropertyTables" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Atom Properties" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Bond Properties" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Angle Properties" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Torsion Properties" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Conformer Properties" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "Residue Properties" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Renders primitives using QTAIM properties" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Molecular Graph…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "Molecular Graph with Lone Pairs…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "Atomic Charge…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Open WFN File" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN files (*.wfn);;All files (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM extension" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "Quantum input" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "Generate input for quantum codes." #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "Centre" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "Align View to Axes" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "Align view to axes." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Reset view" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Manipulate the view camera." #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "Script Charge Models" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "Load electrostatic models from external scripts." #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "Script File Formats" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "Load file reader/writers from external scripts." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Select All" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Select None" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Invert Selection" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Select by Element…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Select by Atom Index…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Select by Residue…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "Select Backbone Atoms…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "Select Sidechain Atoms…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "Select Water" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "Enlarge Selection" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "Shrink Selection" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "Create New Layer from Selection" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Change selections" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Select" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Select Element" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "Select Backbone" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "Select Sidechain" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Select Atoms by Index" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Atoms to Select:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Select Atom" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Select Atoms by Residue" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Residues to Select:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "Select Residue" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "Select" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Selection" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "Paint Atoms" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Selection tool" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "New Layer" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "Perceive Space Group…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "Symmetrise" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "Fill Unit Cell…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "Reduce to Asymmetric Unit" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "Set Tolerance…" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "Space Group" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "Fill symmetric atoms based on the crystal space group." #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "Perceive Space Group" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "Failure" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "Primitive Reduction" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "Select tolerance in Å:" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "International" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "Select Space Group" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "SpaceGroup" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "Space group features for crystals." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "Plot Spectra…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "Spectra" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "Display spectra plots." #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "Infrared" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "Electronic" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "Circular Dichroism" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "Density of States" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Select Background Colour" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Select Foreground Colour" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "Select Calculated Spectra Colour" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "Select Imported Spectra Colour" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "Vibrational Spectra" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "Wavenumbers (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "Transmission" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "Raman Spectra" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "Intensity" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "NMR Spectra" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "Chemical Shift (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "Electronic Spectra" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Energy (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "Circular Dichroism Spectra" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "Density" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Symmetry" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Status" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "Solvent Accessible" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "Solvent Excluded" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Molecular Orbital" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Electron Density" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "Spin Density" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "From File" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "Create Surfaces…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "Render the van der Waals surface." #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "Render the van der Waals molecular surface." #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "Render the solvent-accessible molecular surface." #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "Render the solvent-excluded molecular surface." #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "Render a molecular orbital." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "Render the electron density." #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "Render the spin density." #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "Render a cube supplied with the file." #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "Calculating electron density" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "Calculating spin density" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Calculating molecular orbital %L1" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "Movie AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "Export Movie" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Surfaces" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Read and render surfaces." #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Render the scene in a SVG file." #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "Class" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "Symmetry…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Provide symmetry functionality." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Render symmetry elements." #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "Group %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "Template" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centres.\n" "Select an element and coordination geometry, then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and click on a hydrogen atom to attach " "it." #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "Clipboard" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "Insert Template" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "Insert Ligand" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "Template tool" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Simple display of VdW spheres." #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "Vibrational Modes…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "Show the vibrational modes dialog." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Set the vibrational mode." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "Set the vibrational amplitude." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "Start the vibrational animation." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "Stop the vibrational animation." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "Vibrations" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "Display vibrational modes." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "VRML Render…" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Text file (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Render the scene using VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Render the molecule as a wireframe." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "Calculate Band Structure…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "Cannot calculate band structure: no unit cell!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "Yaehmop execution failed with the following error:\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "Failed to read band structure output from Yaehmop!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "Band %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "Fermi Level" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "Cannot find Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "Error: %1 failed to start" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "Yaehmop Input" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Perform extended Hückel calculations with yaehmop." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dialogue" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Form" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Calculation Settings" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "Placeholder text…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Reset" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "Debug Script…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "Submit Calculation…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Save Input…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Queue and Program:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "Refresh" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" "

      Number of processor cores to reserve for this job." #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Processor cores:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Delete remote files when finished:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Hide job in MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" "

      Show a system popup notification when the job's status " "changes.

      " #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Show progress notifications:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Open output when finished:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Rename Elements" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "Insert Fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filter:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "Type a name or part of a name to show only matching files." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Insert" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "3DMol HTML Snippet" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Copy to Clipboard" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Structure Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Generate Input From PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB File:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Force Field:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Run PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Load Existing PQR File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR File:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "APBS Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Save Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Run APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Success!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Load Structure File" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Load Cube File" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "Partial Charges" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "Charge Model:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Distance Tolerance:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Minimum Distance:" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "Volume Rendering" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "Cube" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "Enable volume rendering" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "Enable surface rendering" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "Isovalue" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "Environment name:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "Environment:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Coordinate Editor" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Preset:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Distance Unit:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Ångstrom" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "Help…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Paste" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Revert" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Apply" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2K Input" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Reset All" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Defaults" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "Save File…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Basic Setup" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Title:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "Filename Base:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "job" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Calculate:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Method:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Basis set:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Functional" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Emax Spline Spin" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Poisson EWALD type" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Poisson EWALD Alpha" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "Poisson EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "TRUE" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "OUTER EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "File extension for Open Babel conversion (default - Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Supercell Parameters" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Super Cell Options" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A repeat:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B repeat:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C repeat:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "Unit Cell Editor" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Cell Matrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Fractional Matrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "&Transform Atoms" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Apply" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Revert" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Hide" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Scale Unit Cell Volume" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "New &Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Scaling Factor:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Current Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "TextLabel" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Bond Order:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Geometry Optimization Parameters" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Convergence Criteria" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "Energy convergence:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Step limit:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " units" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " steps" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "Gradient convergence:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Optimization Method" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Force field:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Autodetect" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS Input" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "In:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicity:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "With:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Charge:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "Import From PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Search" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "name" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "tag" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "synonym" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "formula" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Search By: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Formula:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Download" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Name:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Insert Nucleic Acids" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "DNA/RNA Builder" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Nucleic Acids:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Cytosine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Sequence:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "the number of base pairs per helix turn" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "Other" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Bases Per Turn:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Strands:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "Single" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Double" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPS Input" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Input file comments" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Select the unit style to be used during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Units" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "real" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "electron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Water Potential" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Select atom_style used by the data file." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Atom Style" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "angle" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomic" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "bond" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "charge" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipole" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "ellipsoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "full" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molecular" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "sphere" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "wavepacket" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Specify the name to be used for the coordinate file." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Coordinate Data File" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Ensemble" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperature" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Select the number of Nosé-Hoover chains in the NVT ensemble." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "NH Chains" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Time step for the simulation in units according to \"Units\" specification." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Time Step" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Filename of the XYZ file to write during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Dump XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Number of dimensions in the system." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensions" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Change Z boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "fm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Change Y boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Change X boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "Select boundary Styles in X, Y and Z directions." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Boundary" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Number of replicants in X, Y and Z directions." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Replicate" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Replicate the X direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Replicate the Y direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Replicate the Z direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Total number of timesteps to run the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Total Steps" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Dump Interval" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Set the initial atom velocities for the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Initial Velocities" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Select the distribution of initial atom velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussian" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "uniform" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "Set the initial atom velocities to match this temperature." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Remove system linear momentum from initial velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Zero Linear Momentum" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Remove system angular momentum from initial velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Zero Angular Momentum" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Control the thermodynamic output during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Output" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Output Interval" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Thermodynamic output style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "One Line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Multi Line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Use Form" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "Generate…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Descriptor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Translate by:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Rotate around:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Origin" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "Centre of Molecule" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "Centre of Selection" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "Move:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "Selected Atoms" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "Everything Else" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Conformer Search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Method" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "Number of conformers:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Systematic rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Random rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Weighted rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Genetic algorithm search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "Optimization per conformer:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Genetic Algorithm Options" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "number of children for each parent geometry" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "Children:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "mutation frequency (lower = more frequent mutations)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "Mutability:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "number of identical generations before convergence is reached" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "Convergence:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "Scoring method:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "RMSD" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Optimization algorithm:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Line search technique:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Steepest Descent" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "Conjugate Gradient" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Simple" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Newton's Method" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "Limit Non-Bonded Interactions" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "Van der Waals cutoff distance:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Pair update frequency:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "electrostatic cutoff distance:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "Å" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "\"Energy\" convergence:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "OpenMM Script Builder" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Job script:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "script" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Input Coords:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Input Topology:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Force Field:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Water Model:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Implicit Solvent (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Platform:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Reference" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Precision:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "single" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "mixed" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "double" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Device Index:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "OpenCL Platform Index:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "Nonbonded method:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "NoCutoff" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "CutoffNonPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "CutoffPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Ewald Tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Constraints:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "HBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "AllBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "HAngles" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "Constraint Tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "Rigid water?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "False" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "Nonbonded cutoff:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr " nm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Random initial velocity:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Generation Temp.:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrator:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Brownian" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "VariableLangevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "VariableVerlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "Timestep:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr " fs" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Error tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Collision rate:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "/ps" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Temperature:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Barostat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Pressure:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr " atm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Barostat Interval" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Reporters:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "StateData" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Report Interval:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "Equilibration Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Production Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Minimize?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Max. Minimize Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "StateData options:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Step Index" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Time" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Speed" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Progress" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Potential Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Kinetic Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Total Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "Volume" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "PDF Plot Options" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Maximum Radius:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Step (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Theoretical XRD Pattern Options" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" "

      The broadening of the peak at the base (in degrees)." #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Number of points:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Peak width:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Wavelength:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" "

      The wavelength of the x-ray in Ångstroms.

      Default: 1.50560 Å

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" "

      The number of 2theta points to generate.

      Default: 1000

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "Max 2*theta:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Download Selected" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Critical Point Radius:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Bond Path Radius:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalent" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Constant Size" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Apply Colour" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "Spectra Visualization" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "Scale Factor:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "X-Axis Minimum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "X-Axis Maximum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "Offset:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "Y-Axis Maximum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "Y-Axis Minimum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "Peak Width:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "Peak Threshold:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Appearance" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Show" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "Imports a tsv of experimental spectra to overlay on the plot." #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Import..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Set Colour..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Imported Spectra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Export..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Background:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "Calculated Spectra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "Font Size:" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "Line Width:" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Export Data" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Close" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&Options…" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "&Load data..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Quality: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Very Low" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Low" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Medium" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "High" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Very High" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Create Surfaces" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Surface:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alpha" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Colour by:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "Electrostatic Potential" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolution:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Isosurface Value:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "Smoothing:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Light" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "Strong" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calculate" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molecule" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Symmetrically equivalent atoms:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Lock Symmetry" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operations" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Symmetry elements:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Subgroups" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Subgroups:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolerance:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Tight" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normal" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Loose" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Very Loose" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Detect Symmetry" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "Centres" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "Formal Charge:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "0" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "+1" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "+2" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "+3" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "+4" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "+5" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "+6" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "+7" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "Coordination:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: Octahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: Trigonal Planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: Tetrahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: Square Planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: Trigonal Bipyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: Square Pyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: Trigonal Prism" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: Pentagonal Bipyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: Square Antiprism" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "Ligands" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "Type:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "Monodentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "Bidentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "Tridentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "Tetradentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "Hexadentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "Haptic" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "From Clipboard" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "Ligand:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Groups" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "Group:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "amide" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "carboxylate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "ester" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "ethylene" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "ethyne" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "nitro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "phenyl" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "phosphate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "sulfonate" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Vibrational Modes" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitude:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "Start Animation" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "Stop Animation" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Yaehmop Band" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Min y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density-of-states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density-of-states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density-of-" "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "Plot Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "Zero Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "# of k-points connecting special k-points:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Special k-points" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Max y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "

      The Fermi Level

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" "

      Limit the y-range in the plot?

      Default: off

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "Limit y-range?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Number of Dimensions:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "Display Yaehmop Input?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Andres Montejo Martinez,DiegoJ,Edgardo Fredz," "Enterhase,Feder Sáiz,Federico Vera,Gabriel Ruiz,Geoff Hutchison,Gothmog," "Javier García Díaz,Luis J. Claros,Pablo Catarecha,Rogelio Castillo A.," "cocoloco, ,Launchpad Contributions:,Gabriel Ruiz,Geoff Hutchison,Jen Ockwell," "Marcus D. Hanwell,kuede, ,Launchpad Contributions:,Avogadro Team, ,Launchpad " "Contributions:,Avogadro Team,Brian Burns,Geoff Hutchison,Marcus D. Hanwell, ," "Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff Hutchison,Marcus D. " "Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " "Hutchison,Marcus D. Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro " "Team,Brian Burns,Geoff Hutchison,Marcus D. Hanwell,ascenseur, ,Launchpad " "Contributions:,Avogadro Team,Brian Burns,Geoff Hutchison,Ken Sharp,Marcus D. " "Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " "Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad Contributions:," "Avogadro Team,Brian Burns,Geoff Hutchison,Ken Sharp,Marcus D. Hanwell," "ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " "Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad Contributions:," "Andi Chandler,Anthony Harrington,Avogadro Team,Brian Burns,Chris Woollard," "Geoff Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad " "Contributions:,Andi Chandler,Anthony Harrington,Avogadro Team,Brian Burns," "Chris Woollard,Geoff Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ," "Launchpad Contributions:,Andi Chandler,Anthony Harrington,Avogadro Team," "Brian Burns,Chris Woollard,Geoff Hutchison,Ken Sharp,Marcus D. Hanwell," "ascenseur" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,Nathan_chud@hotmail.com,diegojromerolopez@gmail.com,medeshago@gmail.com," "patricio.oshee@gmail.com,federsaiz@googlemail.com,,debianmaster@gmail." "com,,,,,pczoido@gmail.com,,jalvarezrom@gmail.com,,,debianmaster@gmail.com,," "jenfraggleubuntu@googlemail.com,,,,,avogadro-devel@lists.sourceforge.net,,," "avogadro-devel@lists.sourceforge.net,bburns@aundae.com,,,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,joseph.odell@googlemail." "com,,,avogadro-devel@lists.sourceforge.net,bburns@aundae.com,,,joseph." "odell@googlemail.com,,,avogadro-devel@lists.sourceforge.net,bburns@aundae." "com,,,joseph.odell@googlemail.com,,,avogadro-devel@lists.sourceforge.net," "bburns@aundae.com,,,,joseph.odell@googlemail.com,,,avogadro-devel@lists." "sourceforge.net,bburns@aundae.com,,,,joseph.odell@googlemail.com,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,,joseph.odell@googlemail." "com,,,avogadro-devel@lists.sourceforge.net,bburns@aundae.com,,,,joseph." "odell@googlemail.com,,,,untaintableangel@ubuntu.com,avogadro-devel@lists." "sourceforge.net,bburns@aundae.com,cwoollard@gmail.com,,,,joseph." "odell@googlemail.com,,,,untaintableangel@ubuntu.com,avogadro-devel@lists." "sourceforge.net,bburns@aundae.com,cwoollard@gmail.com,,,,joseph." "odell@googlemail.com,,,,,avogadro-devel@lists.sourceforge.net,bburns@aundae." "com,cwoollard@gmail.com,,,,joseph.odell@googlemail.com" #~ msgid "eV" #~ msgstr "eV" #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "Partial Charge" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgid "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgid "Animation Tool" #~ msgstr "Animation Tool" #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals (AO)" #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "Simple display of VdW spheres with ambient occlusion." #~ msgid "Geometry" #~ msgstr "Geometry" #~ msgid "Add Unit Cell" #~ msgstr "Add &Unit Cell" #~ msgid "By Atomic Index" #~ msgstr "By Atomic Index" #~ msgid "By Distance" #~ msgstr "By Distance" #~ msgid "Select Water…" #~ msgstr "Select Water…" #~ msgid "&Copy" #~ msgstr "&Copy" #~ msgid "Molecule Name:" #~ msgstr "Molecule Name:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molecular Mass (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Chemical Formula:" #~ msgid "Number of Atoms:" #~ msgstr "Number of Atoms:" #~ msgid "Number of Bonds:" #~ msgstr "Number of Bonds:" #~ msgid "TODO" #~ msgstr "TODO" #, fuzzy #~| msgid "Line width:" #~ msgid "Line Size:" #~ msgstr "Line width:" #~ msgid "Optimize" #~ msgstr "Optimize" #~ msgid "In." #~ msgstr "In." #~ msgid "El." #~ msgstr "El." #~ msgid "El.&No." #~ msgstr "El.&No." #~ msgid ", " #~ msgstr ", " #~ msgid "ABPS Input (*.in)" #~ msgstr "ABPS Input (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "Select the Python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgid "Set Python Path…" #~ msgstr "Set Python Path…" #~ msgid "Fragment…" #~ msgstr "Fragment…" #~ msgid "Functional Groups" #~ msgstr "Functional Groups" #~ msgid "Help..." #~ msgstr "Help..." #~ msgid "Submit Calculation..." #~ msgstr "Submit Calculation..." #~ msgid "Save File..." #~ msgstr "Save File..." #~ msgid "Download Plugins..." #~ msgstr "Download Plugins..." #~ msgid "Record Movie..." #~ msgstr "Record Movie..." #~ msgid "" #~ "The file name contains invalid characters. Please choose another file " #~ "name." #~ msgstr "" #~ "The file name contains invalid characters. Please choose another file " #~ "name." #~ msgid "Other..." #~ msgstr "Other..." #~ msgid "Connection failed" #~ msgstr "Connection failed" #, fuzzy #~ msgid "Filename" #~ msgstr "Filename:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Load File" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navigate" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navigate" #~ msgid "OK" #~ msgstr "OK" #~ msgid "Cancel" #~ msgstr "Cancel" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Element name" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "All files" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Rhombohedral" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molecule" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "No molecule set" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #~ msgid "Fragment..." #~ msgstr "Fragment..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Crystal..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Add Hydrogens for pH..." #~ msgid "Atom Properties..." #~ msgstr "Atom Properties..." #~ msgid "Bond Properties..." #~ msgstr "Bond Properties..." #~ msgid "Angle Properties..." #~ msgstr "Angle Properties..." #~ msgid "Torsion Properties..." #~ msgstr "Torsion Properties..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Molecule Properties..." #~ msgid "Create Surfaces..." #~ msgstr "Create Surfaces..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Symmetry" #~ msgid "Insert Fragment..." #~ msgstr "Insert Fragment..." #~ msgid "Theory:" #~ msgstr "Theory:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Distance (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Rotatable" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Conformer %1\n" #~ "Length %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angle %1" #~ msgid "Angle" #~ msgstr "Angle" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsion %1" #~ msgid "Torsion" #~ msgstr "Torsion" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energy (kJ/mol)" #~ msgid "Yes" #~ msgstr "Yes" #~ msgid "No" #~ msgstr "No" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Input Generator..." #, fuzzy #~ msgid "Import" #~ msgstr "Import" #~ msgid "Insert SMILES" #~ msgstr "Insert SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Insert SMILES fragment:" #~ msgid "Insert Crystal" #~ msgstr "Insert Crystal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Insert molecular fragments for building larger molecules" #~ msgid "E&xtensions" #~ msgstr "E&xtensions" #~ msgid "Symmetry Properties..." #~ msgstr "Symmetry Properties..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimise Geometry" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometry Optimization" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Add Hydrogens" #, fuzzy #~ msgid "Stopped" #~ msgstr "Stop" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Surfaces" #~ msgid "Color by Index" #~ msgstr "Colour by Index" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Colour by Index (red, orange, yellow, green, blue, violet)." #~ msgid "Color by Partial Charge" #~ msgstr "Colour by Partial Charge" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "Colour by atomic partial charge (blue = positive, red = negative." #~ msgid "Custom Color:" #~ msgstr "Custom Colour:" #~ msgid "Set custom colors for objects" #~ msgstr "Set custom colours for objects" #~ msgid "Color by Distance" #~ msgstr "Colour by Distance" #~ msgid "Color by distance from the first atom." #~ msgstr "Colour by distance from the first atom." #~ msgid "Color by Element" #~ msgstr "Colour by Element" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Colour by Element (carbon = grey, oxygen = red, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Colour by Residue (amino acid type, hydrophobicity, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS Pattern:" #~ msgid "Highlight Color:" #~ msgstr "Highlight Color:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Colour by SMARTS Pattern" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Highlight particular features which match a SMARTS pattern." #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Engines" #~ msgid "Axes" #~ msgstr "Axes" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Renders the x, y and z axes at the origin" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgid "Dipole" #~ msgstr "Dipole" #~ msgid "Hydrogen Bond" #~ msgstr "Hydrogen Bond" #~ msgid "Renders hydrogen bonds" #~ msgstr "Renders hydrogen bonds" #~ msgid "Select Atom Labels Color" #~ msgstr "Select Atom Labels Color" #~ msgid "Select Bond Labels Color" #~ msgstr "Select Bond Labels Colour" #~ msgid "Select Bond Labels Font" #~ msgstr "Select Bond Labels Font" #~ msgid "Polygon" #~ msgstr "Polygon" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Renders protein backbones as ribbons" #~ msgid "Ring" #~ msgstr "Ring" #~ msgid "Renders rings with colored planes" #~ msgstr "Renders rings with coloured planes" #~ msgid "Simple Wireframe" #~ msgstr "Simple Wireframe" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Renders bonds as wires (lines), ideal for large molecules" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waals Spheres" #~ msgid "Stick" #~ msgstr "Stick" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Electron density, isosurface = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosurface = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgid "Trajectory files" #~ msgstr "Trajectory files" #~ msgid "DL-POLY HISTORY files" #~ msgstr "DL-POLY HISTORY files" #~ msgid "Open Trajectory File" #~ msgstr "Open Trajectory File" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Adding .avi extension" #~ msgid "Animation..." #~ msgstr "Animation..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Cannot read file format of file %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Read trajectory file %1 failed." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Must specify a valid .avi file name" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "GL widget was not correctly initialised in order to save video" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "Invalid video filename. Must include full directory path" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Could not determine format from filename: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animate trajectories, reactions, and vibrations." #~ msgid "Cartesian Editor" #~ msgstr "Cartesian Editor" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgid "Cartesian Editor..." #~ msgstr "Cartesian Editor..." #~ msgid "Cartesian editor" #~ msgstr "Cartesian editor" #~ msgid "Number of atoms: %1" #~ msgstr "Number of atoms: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Number of rotatable bonds: %1" #~ msgid "Add constraint" #~ msgstr "Add constraint" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "Your molecule must contain at least one atom to add a constraint" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgid "&Crystallography" #~ msgstr "&Crystallography" #~ msgid "&Reduce" #~ msgstr "&Reduce" #~ msgid "&Length Unit" #~ msgstr "&Length Unit" #~ msgid "&Angle Unit" #~ msgstr "&Angle Unit" #~ msgid "&Coordinate Display" #~ msgstr "&Coordinate Display" #~ msgid "Coordinate &Preservation" #~ msgstr "Coordinate &Preservation" #~ msgid "&Matrix Display" #~ msgstr "&Matrix Display" #~ msgid "Hide &Editors" #~ msgstr "Hide &Editors" #~ msgid "Show &Editors" #~ msgstr "Show &Editors" #~ msgid "Hide &Property Display" #~ msgstr "Hide &Property Display" #~ msgid "Show &Property Display" #~ msgstr "Show &Property Display" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Lattice Type: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Space group: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Unit cell volume: %L1%2" #~ msgid "Undefined" #~ msgstr "Undefined" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triclinic" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoclinic" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Orthorhombic" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonal" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Cubic" #~ msgid "Paste Crystal" #~ msgstr "Paste Crystal" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Niggli-reduction failed. The input structure's lattice is confusing the " #~ "Niggli-reduction algorithm. Try making a small perturbation (approx. 2 " #~ "orders of magnitude smaller than the tolerance) to the input lattices and " #~ "try again." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Rotate To Standard &Orientation" #~ msgid "&Slab..." #~ msgstr "&Slab..." #~ msgid "Perceive Space&group..." #~ msgstr "Perceive Space &group..." #~ msgid "Set &Spacegroup..." #~ msgstr "Set &Space group..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Fill Unit Cell" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Fill the unit cell using current space group." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Reduce to &Asymmetric Unit" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Sy&mmetrise Crystal" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Reduce Cell (&Primitive)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometre" #~ msgid "&Picometer" #~ msgstr "&Picometre" #~ msgid "&Degree" #~ msgstr "&Degree" #~ msgid "&Radian" #~ msgstr "&Radian" #~ msgid "Display &cartesian coordinates" #~ msgstr "Display &cartesian coordinates" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Preserve &Cartesian Coordinates During Cell Modification" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Preserve &Fractional Coordinates During Cell Modification" #~ msgid "Display &cartesian matrix" #~ msgstr "Display &cartesian matrix" #~ msgid "Display &fractional matrix" #~ msgstr "Display &fractional matrix" #~ msgid "Display as &row vectors" #~ msgstr "Display as &row vectors" #~ msgid "Display as &column vectors" #~ msgstr "Display as &column vectors" #~ msgid "&Crystal View Options..." #~ msgstr "&Crystal View Options..." #~ msgid "" #~ "

      Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

      Cell can be symmetrized into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

      " #~ msgstr "" #~ "

      Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

      Cell can be symmetrised into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

      " #~ msgid "Set Spacegroup" #~ msgstr "Set Space group" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "There is not a space group set for this document.\n" #~ "\n" #~ "Would you like to set a space group now?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Space group P1 detected -- cannot symmetrise to this space group.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgid "Symmetrize Crystal" #~ msgstr "Symmetrise Crystal" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Wrap Atoms To Cell" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Reduce to Niggli Cell" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Select tolerance in current cartesian units:" #~ msgid "Crystallography" #~ msgstr "Crystallography" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Construct and analyse periodic structures." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "VASP Format\n" #~ msgid "Bad Compostion" #~ msgstr "Bad Compostion" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Cartesian Coordinates" #~ msgid "Fractional Coordinates" #~ msgstr "Fractional Coordinates" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Cell Matrix (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Set Unit Cell Matrix" #~ msgid "Set Unit Cell Params" #~ msgstr "Set Unit Cell Params" #~ msgid "Working..." #~ msgstr "Working..." #~ msgid "Build" #~ msgstr "Build" #~ msgid "Cut Slab From Crystal" #~ msgstr "Cut Slab From Crystal" #~ msgid "No GLWidget?" #~ msgstr "No GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Please select one or more atoms." #~ msgid "Trajectory..." #~ msgstr "Trajectory..." #~ msgid "Open chemical file format" #~ msgstr "Open chemical file format" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Chemical files (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Open parameter file" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Chemical files (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Import Trajectory" #~ msgid "Import trajectory files" #~ msgstr "Import trajectory files" #~ msgid "Calculate Energy" #~ msgstr "Calculate Energy" #~ msgid "Conformer Search..." #~ msgstr "Conformer Search..." #~ msgid "Constraints..." #~ msgstr "Constraints..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgid "Geometric Optimization" #~ msgstr "Geometric Optimization" #~ msgid "Systematic Rotor Search" #~ msgstr "Systematic Rotor Search" #~ msgid "Random Rotor Search" #~ msgstr "Random Rotor Search" #~ msgid "Weighted Rotor Search" #~ msgstr "Weighted Rotor Search" #~ msgid "Genetic Algorithm Search" #~ msgstr "Genetic Algorithm Search" #~ msgid "ForceField" #~ msgstr "ForceField" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimise molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgid "&Vector Graphics..." #~ msgstr "&Vector Graphics..." #~ msgid "Common vector image formats" #~ msgstr "Common vector image formats" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Vector graphics export" #~ msgid "Change H to Methyl" #~ msgstr "Change H to Methyl" #~ msgid "H to Methyl" #~ msgstr "H to Methyl" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transform hydrogens to methyl groups" #~ msgid "Add or remove hydrogens" #~ msgstr "Add or remove hydrogens" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Insert DNA/RNA chains" #~ msgid "Peptide..." #~ msgstr "Peptide..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Insert oligopeptide sequences" #~ msgid "Invert Chirality" #~ msgstr "Invert Chirality" #~ msgid "InvertChiral" #~ msgstr "InvertChiral" #~ msgid "Invert chiral centers" #~ msgstr "Invert chiral centres" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "unknown" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Estimated Dipole Moment (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Display standard molecular properties." #~ msgid "Fetch by chemical name..." #~ msgstr "Fetch by chemical name..." #~ msgid "Fetch from URL..." #~ msgstr "Fetch from URL..." #~ msgid "PDB Entry" #~ msgstr "PDB Entry" #~ msgid "PDB entry to download." #~ msgstr "PDB entry to download." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL of molecule to download." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Specified molecule could not be loaded: %1" #~ msgid "Network Fetch" #~ msgstr "Network Fetch" #~ msgid "Fetch molecule files over the network." #~ msgstr "Fetch molecule files over the network." #~ msgid "OrcaExtension Warning" #~ msgstr "OrcaExtension Warning" #~ msgid "OrcaExtension" #~ msgstr "OrcaExtension" #~ msgid " No vibration data found!" #~ msgstr " No vibration data found!" #~ msgid " No vibration data found or molecule changed outside Orca Plugin!" #~ msgstr " No vibration data found or molecule changed outside Orca Plugin!" #~ msgid "Selected displacement data don't fit to the actual molecule!" #~ msgstr "Selected displacement data doesn't fit to the actual molecule!" #~ msgid "extended Geometry File" #~ msgstr "extended Geometry File" #~ msgid "Read Orca Outputfile" #~ msgstr "Read Orca Outputfile" #~ msgid "no file found" #~ msgstr "no file found" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Somethings wrong in the file structure" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "Somethings wrong in the file structure - unitcells" #~ msgid "Something is wrong in the IR output! " #~ msgstr "Something is wrong in the IR output! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "Something is wrong in the raman output! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "Something is wrong in the orbital energy output! " #~ msgid "No geometry found in file!" #~ msgstr "No geometry found in file!" #~ msgid "" #~ "Molecule of the file does not fit the actual molecule structure! \n" #~ " Would you like to override the actual molecule?" #~ msgstr "" #~ "Molecule of the file does not fit the actual molecule structure! \n" #~ " Would you like to override the actual molecule?" #~ msgid "Could not read file!" #~ msgstr "Could not read file!" #~ msgid "Analyse Orca Output..." #~ msgstr "Analyse Orca Output..." #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "Orca Test Example" #~ msgstr "Orca Test Example" #~ msgid "Provides a dialog box with the words \"H...\"." #~ msgstr "Provides a dialogue box with the words \"H...\"." #~ msgid "ORCA Input Deck" #~ msgstr "ORCA Input Deck" #~ msgid "Show Preview" #~ msgstr "Show Preview" #~ msgid "Hide Preview" #~ msgstr "Hide Preview" #~ msgid "RijCosX option not available for the selected DFT functional!" #~ msgstr "RijCosX option not available for the selected DFT functional!" #~ msgid "" #~ "RijCosX not available for the selected DFT functional! \n" #~ "RijCosX option reset!" #~ msgstr "" #~ "RijCosX not available for the selected DFT functional! \n" #~ "RijCosX option reset!" #~ msgid "" #~ "Unsaved changes are made in the actual preview text! \n" #~ " Generating a new preview will lose all changes! \n" #~ " Would you like to override them anyway?" #~ msgstr "" #~ "Unsaved changes are made in the actual preview text! \n" #~ " Generating a new preview will lose all changes! \n" #~ " Would you like to override them anyway?" #~ msgid " OrcaSpectra::No vibration data found!" #~ msgstr " OrcaSpectra::No vibration data found!" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Save POV-Ray rendered image" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Image files (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "No valid filename was supplied." #~ msgid "Does not compute." #~ msgstr "Does not compute." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray failed to start." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgid "Conformer Properties..." #~ msgstr "Conformer Properties..." #~ msgid "Python Terminal" #~ msgstr "Python Terminal" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Interactive python scripting terminal" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Abinit Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgid "Abinit_Input_Deck" #~ msgstr "Abinit_Input_Deck" #~ msgid "Abinit Running." #~ msgstr "Abinit Running." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit Not Installed." #~ msgid "The abinit executable cannot be found." #~ msgstr "The abinit executable cannot be found." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "abinit did not start. Perhaps it is not installed correctly." #~ msgid "Running Abinit calculation..." #~ msgstr "Running Abinit calculation..." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Dalton Input File Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgid "QM Matches" #~ msgstr "QM Matches" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP Selection..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM Selection..." #~ msgid "Delete" #~ msgstr "Delete" #~ msgid "You must make a selection!" #~ msgstr "You must make a selection!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES Conversion Unavailable" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES Format Conversion Not Available!" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Create input files for the GAMESS quantum chemistry package" #~ msgid "Advanced Settings Changed" #~ msgstr "Advanced Settings Changed" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgid "Advanced Settings Reset" #~ msgstr "Advanced Settings Reset" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgid "Basic Settings Reset" #~ msgstr "Basic Settings Reset" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "GAMESS-UK Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "GAMESS-UK Input Deck" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussian Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussian Input Deck" #~ msgid "Gaussian Running." #~ msgstr "Gaussian Running." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian Not Installed." #~ msgid "The G03 executable, cannot be found." #~ msgstr "The G03 executable cannot be found." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 did not start. Perhaps it is not installed correctly." #~ msgid "Running Gaussian calculation..." #~ msgstr "Running Gaussian calculation..." #~ msgid "G03 Crashed." #~ msgstr "G03 Crashed." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian did not run correctly. Perhaps it is not correctly installed." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "Lammps Input Deck Generator Warning" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Molpro Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgid "Molpro Input Deck" #~ msgstr "Molpro Input Deck" #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC Input Warning" #~ msgid "MOPAC Input Deck" #~ msgstr "MOPAC Input Deck" #~ msgid "MOPAC Running." #~ msgstr "MOPAC Running." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "MOPAC is already running. Wait until the previous calculation has " #~ "finished." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC Not Installed." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "The MOPAC executable, cannot be found." #~ msgid "MOPAC failed to start." #~ msgstr "MOPAC failed to start." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC did not start. Perhaps it is not installed correctly." #~ msgid "Running MOPAC calculation..." #~ msgstr "Running MOPAC calculation..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC Crashed." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "NWChem Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgid "NWChem Input Deck" #~ msgstr "NWChem Input Deck" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Psi4 Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgid "Psi4 Input Deck" #~ msgstr "Psi4 Input Deck" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgid "QChem Input Deck" #~ msgstr "QChem Input Deck" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "TeraChem Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgid "TeraChem Input Deck" #~ msgstr "TeraChem Input Deck" #~ msgid "Select SMARTS..." #~ msgstr "Select SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Add Named Selection..." #~ msgid "SMARTS Selection" #~ msgstr "SMARTS Selection" #~ msgid "SMARTS pattern to select" #~ msgstr "SMARTS pattern to select" #~ msgid "There is no current selection." #~ msgstr "There is no current selection." #~ msgid "Add Named Selection" #~ msgstr "Add Named Selection" #~ msgid "Name cannot be empty." #~ msgstr "Name cannot be empty." #~ msgid "There is already a selection with this name." #~ msgstr "There is already a selection with this name." #~ msgid "Selections" #~ msgstr "Selections" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Select atoms, bonds, residues..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL Shaders..." #~ msgid "Open a vertex shader source file" #~ msgstr "Open a vertex shader source file" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Vertex shader files (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Open a fragment shader source file" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fragment shader files (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Open a shader parameters file" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Shader parameters files (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL Shaders" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Load and use OpenGL 2.0 GLSL shaders" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensity (arb. units)" #~ msgid "Density of States (states/cell)" #~ msgstr "Density of States (states/cell)" #~ msgid "Density of States (states/atom)" #~ msgstr "Density of States (states/atom)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Density of States (states/valence electron)" #~ msgid "Transmittance (%)" #~ msgstr "Transmittance (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbance (%)" #~ msgid "No intensities" #~ msgstr "No intensities" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualisation." #~ msgid "Activity" #~ msgstr "Activity" #~ msgid "X Axis" #~ msgstr "X Axis" #~ msgid "Y Axis" #~ msgstr "Y Axis" #~ msgid "&Infrared Spectra Settings" #~ msgstr "&Infrared Spectra Settings" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "&NMR Spectra Settings" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "&UV Settings" #~ msgstr "&UV Settings" #~ msgid "&CD Settings" #~ msgstr "&CD Settings" #~ msgid "&Raman Settings" #~ msgstr "&Raman Settings" #~ msgid "No data" #~ msgstr "No data" #~ msgid "Dark" #~ msgstr "Dark" #~ msgid "Publication" #~ msgstr "Publication" #~ msgid "Handdrawn" #~ msgstr "Handdrawn" #~ msgid "New Scheme" #~ msgstr "New Scheme" #~ msgid "Confirm Scheme Removal" #~ msgstr "Confirm Scheme Removal" #~ msgid "Really remove current scheme?" #~ msgstr "Really remove current scheme?" #~ msgid "Change Scheme Name" #~ msgstr "Change Scheme Name" #~ msgid "Enter new name for current scheme:" #~ msgstr "Enter new name for current scheme:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Tab Separated Values (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Tab-Separated Values" #~ msgid "Comma Separated Values" #~ msgstr "Comma-Separated Values" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Spectra Import" #~ msgid "Unknown extension: %1" #~ msgstr "Unknown extension: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR data (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomole IR data (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Turbomole UV data (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Turbomole CD data (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Data Format" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format:" #~ msgid "Load Spectral Data" #~ msgstr "Load Spectral Data" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Turbomole CD file is improperly formatted : %1" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image File Format" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "Save Spectra Image" #~ msgid "Image successfully written to %1" #~ msgstr "Image successfully written to %1" #~ msgid "&Advanced <<" #~ msgstr "&Advanced <<" #~ msgid "&Advanced >>" #~ msgstr "&Advanced >>" #~ msgid "&Spectra..." #~ msgstr "&Spectra..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Visualise spectral data from quantum chemistry calculations" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Vibrational Analysis" #~ msgid "No vibrational displacements exist." #~ msgstr "No vibrational displacements exist." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Visualise vibrational modes from quantum chemistry calculations" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Sorting %1 vibrations by frequency..." #~ msgid "Pause" #~ msgstr "Pause" #~ msgid "Super Cell Builder..." #~ msgstr "Super Cell Builder..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Build and display crystallographic super cells" #~ msgid "Molecular Orbitals..." #~ msgstr "Molecular Orbitals..." #~ msgid "Orbitals" #~ msgstr "Orbitals" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Nothing" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Electron Density" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Error - undefined type" #~ msgid "Calculating VdW Cube" #~ msgstr "Calculating VdW Cube" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Calculating MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "Electrostatic potential surfaces are not yet supported." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Calculate molecular orbitals and other surfaces" #~ msgid "&Nanotube Builder..." #~ msgstr "&Nanotube Builder..." #~ msgid "Nanotube Builder" #~ msgstr "Nanotube Builder" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Invalid Nanotube Specification" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgid "Insert Nanotube" #~ msgstr "Insert Nanotube" #~ msgid "SWCNT Builder" #~ msgstr "SWCNT Builder" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Construct single wall carbon nanotubes." #~ msgid "Building..." #~ msgstr "Building..." #~ msgid "Display point group symmetry." #~ msgstr "Display point group symmetry." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "GL widget was not correctly initialised in order to make a video" #~ msgid "GL widget has no molecule" #~ msgstr "GL widget has no molecule" #~ msgid "Building video " #~ msgstr "Building video " #~ msgid "Could not run mencoder." #~ msgstr "Could not run mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Set Aspect Ratio" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgid "Save VRML rendered files" #~ msgstr "Save VRML rendered files" #~ msgid "VRML..." #~ msgstr "VRML..." #~ msgid "Connect" #~ msgstr "Connect" #~ msgid "Disconnect" #~ msgstr "Disconnect" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Wii Tracking" #~ msgid "Track motion using Wii remotes" #~ msgstr "Track motion using Wii remotes" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgid "Debug Information" #~ msgstr "Debug Information" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "View Size: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Atoms: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: index %1 out of reach." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "File type '%1' is not supported for reading." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "File type for file '%1' is not supported for reading." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Reading molecule with index %1 from file '%2' failed." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "replaceMolecule: index %1 out of reach." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "File type '%1' is not supported for writing." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "File type for file '%1' is not supported for writing." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Could not open file '%1' for reading." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Replacing molecule with index %1 in file '%2' failed." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "File %1 cannot be opened for reading." #~ msgid "File %1 can not be opened for writing." #~ msgstr "File %1 can not be opened for writing." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "Saving molecular file failed - could not rename original file." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "Saving molecular file failed - could not rename new file." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "Saving molecular file failed - could not remove old file." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "File %1 cannot be opened for writing." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Writing conformers to file '%1' failed." #~ msgid "Molecule %1" #~ msgstr "Molecule %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Unknown Python Engine" #~ msgid "N/A" #~ msgstr "N/A" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: checking " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - script has no 'Engine' class defined" #~ msgid " - no module" #~ msgstr " - no module" #~ msgid "Unknown Python Extension" #~ msgstr "Unknown Python Extension" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: checking " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - script has no 'Extension' class defined" #~ msgid "Unknown Python Tool" #~ msgstr "Unknown Python Tool" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: checking " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - script has no 'Tool' class defined" #~ msgid "Conformer %1" #~ msgstr "Conformer %1" #~ msgid "Tools" #~ msgstr "Tools" #~ msgid "Align:" #~ msgstr "Align:" #~ msgid "Everything" #~ msgstr "Everything" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Auto Optimisation Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Could not setup force field...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Num Constraints: %1" #~ msgid "Steps per Update:" #~ msgstr "Steps per Update:" #~ msgid "Algorithm:" #~ msgstr "Algorithm:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Molecular Dynamics (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Molecular Dynamics (900K)" #~ msgid "Start" #~ msgstr "Start" #~ msgid "Fixed atoms are movable" #~ msgstr "Fixed atoms are movable" #~ msgid "Ignored atoms are movable" #~ msgstr "Ignored atoms are movable" #~ msgid "AutoOpt Molecule" #~ msgstr "AutoOpt Molecule" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Automatic optimisation of molecular geometry" #~ msgid "AutoOptimization Settings" #~ msgstr "AutoOptimisation Settings" #~ msgid "Auto Rotation Tool" #~ msgstr "Auto Rotation Tool" #~ msgid "x rotation:" #~ msgstr "x rotation:" #~ msgid "x rotation" #~ msgstr "x rotation" #~ msgid "y rotation:" #~ msgstr "y rotation:" #~ msgid "y rotation" #~ msgstr "y rotation" #~ msgid "z rotation:" #~ msgstr "z rotation:" #~ msgid "z rotation" #~ msgstr "z rotation" #~ msgid "Automatic rotation of molecules" #~ msgstr "Automatic rotation of molecules" #~ msgid "AutoRotate Settings" #~ msgstr "AutoRotate Settings" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Bond Length: %L1" #~ msgid " Show Angles" #~ msgstr " Show Angles" #~ msgid "Snap-to Threshold: " #~ msgstr "Snap-to Threshold: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Bond Centric Manipulate" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulation of bond lengths, angles, and torsions" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Bond Centric Manipulate Settings" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distance (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distance (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Dihedral Angle: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distance(s):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Measure bond lengths, angles, and dihedrals" #~ msgid "Draw Bond" #~ msgstr "Draw Bond" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Draw and edit atoms and bonds" #~ msgid "Draw Settings" #~ msgstr "Draw Settings" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Translate, rotate, and adjust atoms and fragments" #~ msgid "Manipulate Settings" #~ msgstr "Manipulate Settings" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Translate, rotate, and zoom around the current view" #~ msgid "Navigate Settings" #~ msgstr "Navigate Settings" #~ msgid "Selection Mode:" #~ msgstr "Selection Mode:" #~ msgid "Atom/Bond" #~ msgstr "Atom/Bond" #~ msgid "Residue" #~ msgstr "Residue" #~ msgid "Add Center of Atoms" #~ msgstr "Add Centre of Atoms" #~ msgid "Change color of the atom" #~ msgstr "Change colour of the atom" #~ msgid "Change label of the atom" #~ msgstr "Change label of the atom" #~ msgid "Change label of the bond" #~ msgstr "Change label of the bond" #~ msgid "Change radius of the atom" #~ msgstr "Change radius of the atom" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "New Radius, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Select atoms, residues, and molecules" #~ msgid "Symbol" #~ msgstr "Symbol" #~ msgid "Bond Length" #~ msgstr "Bond Length" #~ msgid "Dihedral Angle" #~ msgstr "Dihedral Angle" #~ msgid "Z Matrix Editor..." #~ msgstr "Z Matrix Editor..." #~ msgid "Z-Matrix" #~ msgstr "Z-Matrix" #~ msgid "Create/edit a z-matrix" #~ msgstr "Create/edit a z-matrix" #~ msgid "Z-Matrix Settings" #~ msgstr "Z-Matrix Settings" #~ msgid "Color residues by:" #~ msgstr "Colour residues by:" #~ msgid "Amino Colors" #~ msgstr "Amino Colours" #~ msgid "Hydrophobicity" #~ msgstr "Hydrophobicity" #~ msgid "Axes:" #~ msgstr "Axes:" #~ msgid "Cartesian Axes" #~ msgstr "Cartesian Axes" #~ msgid "Orthogonal Axes" #~ msgstr "Orthogonal Axes" #~ msgid "Axis 1:" #~ msgstr "Axis 1:" #~ msgid "Axis 2:" #~ msgstr "Axis 2:" #~ msgid "Axis 3:" #~ msgstr "Axis 3:" #~ msgid "Origin:" #~ msgstr "Origin:" #~ msgid "Norm" #~ msgstr "Norm" #~ msgid "Preserve vector norms" #~ msgstr "Preserve vector norms" #~ msgid "Atom Radius:" #~ msgstr "Atom Radius:" #~ msgid "Bond Radius:" #~ msgstr "Bond Radius:" #~ msgid "Shape" #~ msgstr "Shape" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Loop" #~ msgid "Dipole:" #~ msgstr "Dipole:" #~ msgid "Custom Vector" #~ msgstr "Custom Vector" #~ msgid "Custom:" #~ msgstr "Custom:" #~ msgid "Width:" #~ msgstr "Width:" #~ msgid "Cut-off radius:" #~ msgstr "Cut-off radius:" #~ msgid "Cut-off angle:" #~ msgstr "Cut-off angle:" #~ msgid "Rendering Engine:" #~ msgstr "Rendering Engine:" #~ msgid "TextRenderer" #~ msgstr "TextRenderer" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Text:" #~ msgid "Symbol & Number in Group" #~ msgstr "Symbol & Number in Group" #~ msgid "Symbol & Atom number" #~ msgstr "Symbol & Atom number" #~ msgid "Partial charge" #~ msgstr "Partial charge" #~ msgid "Residue number" #~ msgstr "Residue number" #~ msgid "Custom data" #~ msgstr "Custom data" #~ msgid "Change Font" #~ msgstr "Change Font" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Label Shift:" #~ msgid "Bond length" #~ msgstr "Bond length" #~ msgid "Bond number" #~ msgstr "Bond number" #~ msgid "Bond order" #~ msgstr "Bond order" #~ msgid "Lines" #~ msgstr "Lines" #~ msgid "Radius:" #~ msgstr "Radio :" #~ msgid "Include Nitrogens" #~ msgstr "Include Nitrogens" #~ msgid "VdW Opacity:" #~ msgstr "VdW Opacity:" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Render:" #~ msgstr "Render:" #~ msgid "Fill" #~ msgstr "Fill" #~ msgid "Points" #~ msgstr "Points" #~ msgid "Draw Box:" #~ msgstr "Draw Box:" #~ msgid "Style:" #~ msgstr "Style:" #~ msgid "Mapped Colors" #~ msgstr "Mapped Colours" #~ msgid "Positive" #~ msgstr "Positive" #~ msgid "Negative" #~ msgstr "Negative" #~ msgid "Show Atoms" #~ msgstr "Show Atoms" #~ msgid "Animate Trajectory" #~ msgstr "Animate Trajectory" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Loop" #~ msgid "Save as .avi..." #~ msgstr "Save as .avi..." #~ msgid "Angstroms" #~ msgstr "Angstroms" #~ msgid "Bohrs" #~ msgstr "Bohrs" #~ msgid "Fractional" #~ msgstr "Fractional" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, coords only" #~ msgid "GAMESS Input #2" #~ msgstr "GAMESS Input #2" #~ msgid "Priroda Input" #~ msgstr "Priroda Input" #~ msgid "Apply Changes" #~ msgstr "Apply Changes" #~ msgid "Cut All" #~ msgstr "Cut All" #~ msgid "Paste to the End" #~ msgstr "Paste to the End" #~ msgid "" #~ "\n" #~ "\n" #~ "

      Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

      " #~ msgstr "" #~ "\n" #~ "\n" #~ "

      Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

      " #~ msgid "(None)" #~ msgstr "(None)" #~ msgid "Sort by " #~ msgstr "Sort by " #~ msgid "Number of atoms:" #~ msgstr "Number of atoms:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Number of rotatable bonds:" #~ msgid "Add Constraints" #~ msgstr "Add Constraints" #~ msgid "Ignore Atom" #~ msgstr "Ignore Atom" #~ msgid "Fix Atom" #~ msgstr "Fix Atom" #~ msgid "Fix Atom X" #~ msgstr "Fix Atom X" #~ msgid "Fix Atom Y" #~ msgstr "Fix Atom Y" #~ msgid "Fix Atom Z" #~ msgstr "Fix Atom Z" #~ msgid "Torsion angle" #~ msgstr "Torsion angle" #~ msgid "Add" #~ msgstr "Add" #~ msgid "Save" #~ msgstr "Save" #~ msgid "Load" #~ msgstr "Load" #~ msgid "Atomic &identites:" #~ msgstr "Atomic &identites:" #~ msgid "Surface Slab Builder" #~ msgstr "Surface Slab Builder" #~ msgid "Plane:" #~ msgstr "Plane:" #~ msgid "&Miller Indices:" #~ msgstr "&Miller Indices:" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Warning: Use non-zero Miller Indices" #~ msgid "Width (x)" #~ msgstr "Width (x)" #~ msgid "Width (y)" #~ msgstr "Width (y)" #~ msgid "Height (z)" #~ msgstr "Height (z)" #~ msgid "length" #~ msgstr "length" #~ msgid "cell repeats" #~ msgstr "cell repeats" #~ msgid "&Translate " #~ msgstr "&Translate " #~ msgid "by arbitrary vector" #~ msgstr "by arbitrary vector" #~ msgid "selected atom to unit cell center" #~ msgstr "selected atom to unit cell centre" #~ msgid "Translation vector:" #~ msgstr "Translation vector:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "&Vector units:" #~ msgid "Cartesian" #~ msgstr "Cartesian" #~ msgid "&Translate" #~ msgstr "&Translate" #~ msgid "Crystal View Options" #~ msgstr "Crystal View Options" #~ msgid "Unit Cell Repeats:" #~ msgstr "Unit Cell Repeats:" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Draw Unit Cell(s)?" #~ msgid "One" #~ msgstr "One" #~ msgid "All" #~ msgstr "All" #~ msgid "Color..." #~ msgstr "Colour..." #~ msgid "View Along:" #~ msgstr "View Along:" #~ msgid "Default View" #~ msgstr "Default View" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Miller Indices" #~ msgid "File Import..." #~ msgstr "File Import..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Attempt to perceive bonds?" #~ msgid "Setup Force Field" #~ msgstr "Setup Force Field" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Number of steps" #~ msgid "Algorithm" #~ msgstr "Algorithm" #~ msgid "10e-" #~ msgstr "10e-" #~ msgid "Alanine" #~ msgstr "Alanine" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Arginine" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Asparagine" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "Aspartic acid" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Cysteine" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "Glutamic acid" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Glutamine" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Glycine" #~ msgid "Gly" #~ msgstr "Gly" #~ msgid "Histidine" #~ msgstr "Histidine" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "Isoleucine" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Valine" #~ msgstr "Valine" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyrosine" #~ msgstr "Tyrosine" #~ msgid "Tyr" #~ msgstr "Tyr" #~ msgid "Tryptophan" #~ msgstr "Tryptophan" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "Threonine" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "Serine" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Proline" #~ msgid "Phenylalanine" #~ msgstr "Phenylalanine" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "Methionine" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Lysine" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "Leucine" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "Sequence (N to C):" #~ msgid "Stereochemistry:" #~ msgstr "Stereochemistry:" #~ msgid "L" #~ msgstr "L" #~ msgid "N Terminus:" #~ msgstr "N Terminus:" #~ msgid "C Terminus:" #~ msgstr "C Terminus:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Structure:" #~ msgstr "Structure:" #~ msgid "Straight Chain" #~ msgstr "Straight Chain" #~ msgid "Alpha Helix" #~ msgstr "Alpha Helix" #~ msgid "Beta Sheet" #~ msgstr "Beta Sheet" #~ msgid "Pi Helix" #~ msgstr "Pi Helix" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "Psi:" #~ msgstr "Psi:" #~ msgid "Chain Number:" #~ msgstr "Chain Number:" #~ msgid "The chain number for the new peptide" #~ msgstr "The chain number for the new peptide" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Number of Residues:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energy (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Dipole Moment (D):" #~ msgid "select Fragment" #~ msgstr "select Fragment" #~ msgid "Basic" #~ msgstr "Basic" #~ msgid "Comment" #~ msgstr "Comment" #~ msgid "Frequency" #~ msgstr "Frequency" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Format" #~ msgstr "Format" #~ msgid "z-Matrix" #~ msgstr "z-Matrix" #~ msgid "z-Matrix compact" #~ msgstr "z-Matrix compact" #~ msgid "Advanced" #~ msgstr "Advanced" #~ msgid "Basis Set" #~ msgstr "Basis Set" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "RijCosX" #~ msgstr "RijCosX" #~ msgid "Aux. Basis Set" #~ msgstr "Aux. Basis Set" #~ msgid "Aux. ECP" #~ msgstr "Aux. ECP" #~ msgid "Relativistic" #~ msgstr "Relativistic" #~ msgid "ZORA" #~ msgstr "ZORA" #~ msgid "IORA" #~ msgstr "IORA" #~ msgid "DKH" #~ msgstr "DKH" #~ msgid "Order" #~ msgstr "Order" #~ msgid "Corr. Aux. Basis Set" #~ msgstr "Corr. Aux. Basis Set" #~ msgid "Corr. ECP" #~ msgstr "Corr. ECP" #~ msgid "Run type" #~ msgstr "Run type" #~ msgid "MOs" #~ msgstr "MOs" #~ msgid "Basis Sets" #~ msgstr "Basis Sets" #~ msgid "Printlevel" #~ msgstr "Printlevel" #~ msgid "Small" #~ msgstr "Small" #~ msgid "Large" #~ msgstr "Large" #~ msgid "Damping" #~ msgstr "Damping" #~ msgid "Factor" #~ msgstr "Factor" #~ msgid "" #~ "

      select only if no defaults are wanted

      " #~ msgstr "" #~ "

      select only if no defaults are wanted

      " #~ msgid "Accuracy" #~ msgstr "Accuracy" #~ msgid "Tight SCF" #~ msgstr "Tight SCF" #~ msgid "Very Tight SCF" #~ msgstr "Very Tight SCF" #~ msgid "Extreme SCF" #~ msgstr "Extreme SCF" #~ msgid "KDIIS" #~ msgstr "KDIIS" #~ msgid "Levelshift " #~ msgstr "Levelshift " #~ msgid "Levelshift" #~ msgstr "Levelshift" #~ msgid "2nd Order" #~ msgstr "2nd Order" #~ msgid "SOSCF" #~ msgstr "SOSCF" #~ msgid "NRSCF" #~ msgstr "NRSCF" #~ msgid "AHSCF" #~ msgstr "AHSCF" #~ msgid "max. SCF iterations" #~ msgstr "max. SCF iterations" #~ msgid "SCF Type" #~ msgstr "SCF Type" #~ msgid "restricted" #~ msgstr "restricted" #~ msgid "unrestricted" #~ msgstr "unrestricted" #~ msgid "restricted open-shell" #~ msgstr "restricted open-shell" #~ msgid "SFitting" #~ msgstr "SFitting" #~ msgid "GridX" #~ msgstr "GridX" #~ msgid "FinalGridX" #~ msgstr "FinalGridX" #~ msgid "Grid" #~ msgstr "Grid" #~ msgid "FinalGrid" #~ msgstr "FinalGrid" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray Export" #~ msgid "Select..." #~ msgstr "Select..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Use full scene antialiasing" #~ msgid "Antialias" #~ msgstr "Antialias" #~ msgid "Set the background color to be transparent" #~ msgstr "Set the background colour to be transparent" #~ msgid "Alpha transparency" #~ msgstr "Alpha transparency" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Render the molecule directly using command line POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Keep the POV-Ray source after rendering has completed" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Keep POV-Ray source after rendering" #~ msgid "Path:" #~ msgstr "Path:" #~ msgid "Abinit Input" #~ msgstr "Abinit Input" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Cartesian (Angstrom)" #~ msgid "Reduced" #~ msgstr "Reduced" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Plane Wave cutoff (Ha):" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Tolerance on forces(Ha/bohr):" #~ msgid "Max lattice expansion:" #~ msgstr "Max lattice expansion:" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "k-point shift:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Number of bands:" #~ msgid "# k-point shifts:" #~ msgstr "# k-point shifts:" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "Double grid PW cutoff (Ha):" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Occupation scheme:" #~ msgid "SCF tolerance type:" #~ msgstr "SCF tolerance type:" #~ msgid "Wave Function norm" #~ msgstr "Wave Function norm" #~ msgid "Total Potential" #~ msgstr "Total Potential" #~ msgid "Relative Force" #~ msgstr "Relative Force" #~ msgid "1 - semiconducting" #~ msgstr "1 - semiconducting" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - Cold Smearing (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 - Gaussian smearing" #~ msgid "Smearing width (Ha):" #~ msgstr "Smearing width (Ha):" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - no moving ions " #~ msgid "1 - viscous damping" #~ msgstr "1 - viscous damping" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS with energy" #~ msgid "# Geometrical time steps:" #~ msgstr "# Geometrical time steps:" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Kinetic Energy smoothing (Ha):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Compute..." #~ msgid "Dalton Input" #~ msgstr "Dalton Input" #~ msgid "Basics" #~ msgstr "Basics" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "Basis Set:" #~ msgstr "Basis Set:" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Pople-style" #~ msgid "Jensen's polarization consistent" #~ msgstr "Jensen's polarisation consistent" #~ msgid "Dunning's correlation consistent" #~ msgstr "Dunning's correlation consistent" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Core correlating functions" #~ msgid "Diffuse functions" #~ msgstr "Diffuse functions" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Direct" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgid "Parallel" #~ msgstr "Parallel" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Grid Specification" #~ msgid "Partitioning Scheme:" #~ msgstr "Partitioning Scheme:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (original)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Grid Quality:" #~ msgid "coarse" #~ msgstr "coarse" #~ msgid "normal" #~ msgstr "normal" #~ msgid "fine" #~ msgstr "fine" #~ msgid "ultrafine" #~ msgstr "ultrafine" #~ msgid "Radial Scheme:" #~ msgstr "Radial Scheme:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Show all functionals" #~ msgid "Property:" #~ msgstr "Property:" #~ msgid "Polarizability" #~ msgstr "Polarisability" #~ msgid "Frequency Dependent" #~ msgstr "Frequency Dependent" #~ msgid "No. excitations:" #~ msgstr "No. excitations:" #~ msgid "EFP Matches" #~ msgstr "EFP Matches" #~ msgid "Group Label:" #~ msgstr "Group Label:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Advanced Setup" #~ msgid "Hessian" #~ msgstr "Hessian" #~ msgid "Stat Point" #~ msgstr "Stat Point" #~ msgid "System" #~ msgstr "System" #~ msgid "MO Guess" #~ msgstr "MO Guess" #~ msgid "Misc" #~ msgstr "Misc" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Heavy Atom Polarisation Functions:" #~ msgid "Read" #~ msgstr "Read" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Diffuse S-Shell on Heavy Atoms" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Diffuse L-Shell on Heavy Atoms" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Double Zeta Valence" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Triple Zeta Valence" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA Valence" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt Valence" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP Type:" #~ msgid "Default" #~ msgstr "Default" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Heavy Atom Polarization Functions:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#light Atom Polarization Functions:" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Max SCF Iterations:" #~ msgstr "Max SCF Iterations:" #~ msgid "Gradient" #~ msgstr "Gradient" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "Saddle Point" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Gradient Extremal" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Radiative Transition mom." #~ msgid "Spin Orbit" #~ msgstr "Spin Orbit" #~ msgid "Finite Electric Field" #~ msgstr "Finite Electric Field" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Global Optimization" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO Optimization" #~ msgid "Raman Intensities" #~ msgstr "Raman Intensities" #~ msgid "Make EFP" #~ msgstr "Make EFP" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "None (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF Type:" #~ msgid "Localization Method:" #~ msgstr "Localization Method:" #~ msgid "Exec Type:" #~ msgstr "Exec Type:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinant" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Occupation Restricted Multiple Active Space" #~ msgid "CI Singles" #~ msgstr "CI Singles" #~ msgid "Full Second Order CI" #~ msgstr "Full Second Order CI" #~ msgid "General CI" #~ msgstr "General CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Linearised CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC with Doubles" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC with Singles and Doubles" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Normal Run" #~ msgid "Check" #~ msgstr "Check" #~ msgid "Debug" #~ msgstr "Debug" #~ msgid "Molecule Charge:" #~ msgstr "Molecule Charge:" #~ msgid "Run Type:" #~ msgstr "Run Type:" #~ msgid "Use MP2" #~ msgstr "Use MP2" #~ msgid "Use DFT" #~ msgstr "Use DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# of Z-Matrix Variables" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Order of Principal Axis:" #~ msgid "Coordinate Type:" #~ msgstr "Coordinate Type:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Unique cartesian Coords." #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrant internals" #~ msgid "MOPAC Z-Matrix" #~ msgstr "MOPAC Z-Matrix" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Use Symmetry During Calculation" #~ msgid "Point Group:" #~ msgstr "Point Group:" #~ msgid "Minutes" #~ msgstr "Minutes" #~ msgid "Hours" #~ msgstr "Hours" #~ msgid "Days" #~ msgstr "Days" #~ msgid "Weeks" #~ msgstr "Weeks" #~ msgid "Years" #~ msgstr "Years" #~ msgid "Millenia" #~ msgstr "Millenia" #~ msgid "MegaWords" #~ msgstr "MegaWords" #~ msgid "MegaBytes" #~ msgstr "MegaBytes" #~ msgid "GigaWords" #~ msgstr "GigaWords" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Force Parallel Methods" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Produce \"core\" file upon abort" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memory:" #~ msgid "Diagonalization Method:" #~ msgstr "Diagonalisation Method:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Parallel Load Balance Type" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Loop" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Next Value" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Use External Data Representation for Messages" #~ msgid "Initial Guess:" #~ msgstr "Initial Guess:" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO Read ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO Saved (DICTNRY)" #~ msgid "Skip" #~ msgstr "Skip" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Rotate Alpha and Beta Orbitals" #~ msgid "Print the Initial Guess" #~ msgstr "Print the Initial Guess" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "GAMESS Interface to Other Codes" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Force a Check Run Type" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK Version)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussian 9x" #~ msgid "Solvate with Water" #~ msgstr "Solvate with Water" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Generate UHF Natural Orbitals" #~ msgid "Direct SCF" #~ msgstr "Direct SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Compute Only Changed in Fock Matrix" #~ msgid "Slater exchange" #~ msgstr "Slater exchange" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 exchange" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr correlation" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater exchange + VWN correlation" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE exchange + VWN5 correlation" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE exchange + LYP correlation" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill 1996 exchange" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: One-parameter Progressive correlation" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP correlation" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE exchange + OP correlation" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL exchange + VWN5 correlation" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL exchange + LYP correlation" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE exchange + VWN6 correlation" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE exchange +LYP correlation" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE exchange + OP correlation" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgid "Grid-Free" #~ msgstr "Grid-Free" #~ msgid "DFT Functional:" #~ msgstr "DFT Functional:" #~ msgid "AO Integral Storage" #~ msgstr "AO Integral Storage" #~ msgid "Duplicated on Each Node" #~ msgstr "Duplicated on Each Node" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distributed Across All Nodes" #~ msgid "words" #~ msgstr "words" #~ msgid "Compute MP2 Properties" #~ msgstr "Compute MP2 Properties" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Integral Retention Cutoff:" #~ msgid "Use Localized Orbitals" #~ msgstr "Use Localised Orbitals" #~ msgid "# of Core Electrons:" #~ msgstr "# of Core Electrons:" #~ msgid "Transformation Method" #~ msgstr "Transformation Method" #~ msgid "Two Phase Bin Sort" #~ msgstr "Two Phase Bin Sort" #~ msgid "Segmented Transformation" #~ msgstr "Segmented Transformation" #~ msgid "Numeric" #~ msgstr "Numeric" #~ msgid "Double Differenced Hessian" #~ msgstr "Double Differenced Hessian" #~ msgid "Print Internal Force Constants" #~ msgstr "Print Internal Force Constants" #~ msgid "Displacement Size:" #~ msgstr "Displacement Size:" #~ msgid "Purify Hessian" #~ msgstr "Purify Hessian" #~ msgid "Frequency Scale Factor:" #~ msgstr "Frequency Scale Factor:" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Initial Hessian" #~ msgid "Guess (+ define)" #~ msgstr "Guess (+ define)" #~ msgid "Read (from $HESS)" #~ msgstr "Read (from $HESS)" #~ msgid "Update Step Size" #~ msgstr "Update Step Size" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Print Orbs at Each Iteration" #~ msgid "Jump Size:" #~ msgstr "Jump Size:" #~ msgid "Stationary Point" #~ msgstr "Stationary Point" #~ msgid "Initial:" #~ msgstr "Initial:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Rational Function Optimisation" #~ msgid "Quadratic Approximation" #~ msgstr "Quadratic Approximation" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Constrained Optimisation" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Recalculate Hessian Every:" #~ msgid "Follow Mode:" #~ msgstr "Follow Mode:" #~ msgid "GAMESS-UK Input" #~ msgstr "GAMESS-UK Input" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "GAMESS-UK input generated by Avogadro" #~ msgid "Transition State Search" #~ msgstr "Transition State Search" #~ msgid "Basis:" #~ msgstr "Basis:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Z-matrix" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgid "Run in direct mode:" #~ msgstr "Run in direct mode:" #~ msgid "Gaussian Input" #~ msgstr "Gaussian Input" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Standard" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Checkpoint:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-matrix (compact)" #~ msgid "MOLPRO Input" #~ msgstr "MOLPRO Input" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Molpro Version:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "MOPAC Input" #~ msgid "Quartet" #~ msgstr "Quartet" #~ msgid "Quintet" #~ msgstr "Quintet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "NWChem Input" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem Input" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "TeraChem Input" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Unrestricted" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "no" #~ msgid "yes" #~ msgstr "yes" #~ msgid "D2" #~ msgstr "D2" #~ msgid "D3" #~ msgstr "D3" #~ msgid "Dispersion:" #~ msgstr "Dispersion:" #~ msgid "Load Shaders" #~ msgstr "Load Shaders" #~ msgid "Shader Name:" #~ msgstr "Shader Name:" #~ msgid "Vertex Shader:" #~ msgstr "Vertex Shader:" #~ msgid "Fragment Shader:" #~ msgstr "Fragment Shader:" #~ msgid "Assign Shader" #~ msgstr "Assign Shader" #~ msgid "Display Type:" #~ msgstr "Display Type:" #~ msgid "Font:" #~ msgstr "Font:" #~ msgid "Change Font..." #~ msgstr "Change Font..." #~ msgid "Foreground:" #~ msgstr "Foreground:" #~ msgid "New..." #~ msgstr "New..." #~ msgid "Rename..." #~ msgstr "Rename..." #~ msgid "&Schemes:" #~ msgstr "&Schemes:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Width:" #~ msgid "&Height" #~ msgstr "&Height" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "px" #~ msgstr "px" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Use an optimised value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Auto-adjust F&ont Size" #~ msgid "Spectra Tab" #~ msgstr "Spectra Tab" #~ msgid "&Gaussian Width:" #~ msgstr "&Gaussian Width:" #~ msgid "&Label peaks" #~ msgstr "&Label peaks" #~ msgid "Rotatory Strength type:" #~ msgstr "Rotatory Strength type:" #~ msgid "Energy units:" #~ msgstr "Energy units:" #~ msgid "Density units" #~ msgstr "Density units" #~ msgid "Fermi Energy: " #~ msgstr "Fermi Energy: " #~ msgid "States / Cell" #~ msgstr "States / Cell" #~ msgid "States / Atom" #~ msgstr "States / Atom" #~ msgid "States / Valence electron" #~ msgstr "States / Valence electron" #~ msgid "Fermi energy at zero" #~ msgstr "Fermi energy at zero" #~ msgid "Scale integrated DOS" #~ msgstr "Scale integrated DOS" #~ msgid "Show integrated DOS" #~ msgstr "Show integrated DOS" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "&Y Axis Units:" #~ msgid "Scaling Type:" #~ msgstr "Scaling Type:" #~ msgid "Relative" #~ msgstr "Relative" #~ msgid "Laser Wavenumber:" #~ msgstr "Laser Wavenumber:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Nucleus:" #~ msgstr "Nucleus:" #~ msgid "Gaussian &Width:" #~ msgstr "Gaussian &Width:" #~ msgid "Reset &Plot Axes" #~ msgstr "Reset &Plot Axes" #~ msgid "Label Peaks:" #~ msgstr "Label Peaks:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Molecular Vibrations" #~ msgid "Filter: " #~ msgstr "Filter: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Activity (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Show Spectra..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "higher frequency vibrations will show faster movement" #~ msgid "Animation speed set by frequency" #~ msgstr "Animation speed set by frequency" #~ msgid "Display force &vectors" #~ msgstr "Display force &vectors" #~ msgid "&Normalize displacements" #~ msgstr "&Normalise displacements" #~ msgid "&Recalculate All" #~ msgstr "&Recalculate All" #~ msgid "Default &Quality:" #~ msgstr "Default &Quality:" #~ msgid "Show occupied orbitals first" #~ msgstr "Show occupied orbitals first" #~ msgid "Limit orbital precalculations to " #~ msgstr "Limit orbital precalculations to " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "orbitals around HOMO/LUMO" #~ msgid "Surface Type:" #~ msgstr "Surface Type:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Low" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Medium" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "High" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Very High" #~ msgid "Isosurface cutoff value" #~ msgstr "Isosurface cutoff value" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "In Display Type:" #~ msgid "New Display" #~ msgstr "New Display" #~ msgid "Advanced..." #~ msgstr "Advanced..." #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "&Length:" #~ msgid "Uni&t:" #~ msgstr "Uni&t:" #~ msgid "periodic units" #~ msgstr "periodic units" #~ msgid "angstrom" #~ msgstr "angstrom" #~ msgid "bohr radii" #~ msgstr "bohr radii" #~ msgid "nanometers" #~ msgstr "nanometres" #~ msgid "&Cap with hydrogen" #~ msgstr "&Cap with hydrogen" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgid "Find &double bonds" #~ msgstr "Find &double bonds" #~ msgid "Molecular Symmetry" #~ msgstr "Molecular Symmetry" #~ msgid "VRML Export" #~ msgstr "VRML Export" #~ msgid "Scale (mm/Å):" #~ msgstr "Scale (mm/Å):" #~ msgid "Smallest sphere (mm): " #~ msgstr "Smallest sphere (mm): " #~ msgid "Thinnest cylinder (mm): " #~ msgstr "Thinnest cylinder (mm): " #~ msgid "Calculate Size..." #~ msgstr "Calculate Size..." #~ msgid "Display visual cues" #~ msgstr "Display visual cues" #~ msgid "Python Settings" #~ msgstr "Python Settings" #~ msgid "Z Matrix Editor" #~ msgstr "Z Matrix Editor" avogadrolibs-1.100.0/i18n/en_GB.po000066400000000000000000013312001474375334400164340ustar00rootroot00000000000000# English (United Kingdom) translation for avogadro # Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 # This file is distributed under the same licence as the avogadro package. # My Random Thoughts , 2021. # J. Lavoie , 2021. # ovari , 2022. # Geoff Hutchison , 2023. # matterhorn103 , 2023. # Andi Chandler , 2024. # Eisuke Kawashima , 2024. msgid "" msgstr "" "Project-Id-Version: _avogadro-en_GB\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2024-11-24 01:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: English (United Kingdom) \n" "Language: en_GB\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.9-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Batch Job #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "No message specified." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "Non-string warning returned." #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "'warnings' member is not an array." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Reference file '%1' does not exist." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "Error populating file %1: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Malformed file entry at index %1: Not an object." #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "'files' member not an array." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "'files' member missing." #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "'mainFile' member does not refer to an entry in 'files'." #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "'mainFile' member must be a string." #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "Response must be a JSON object at top-level." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Script output:\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Error saving molecule representation to string: Unrecognized file format: %1" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Error saving molecule representation to string: %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "Input Generator (error)" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "%1 Input Generator" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Continue" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Close" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Unknown" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[1] "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Overwrite modified input files?" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "Problems occurred during input generation:" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "No input files to save!" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "Cannot connect to MoleQueue" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "Submit %1 Calculation" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "Job Failed" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "The job did not complete successfully." #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "Script returns warnings:\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "Hide &Warnings" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "Show &Warnings" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "An error has occurred:" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "Select output filename" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "Internal error: could not find text widget for filename '%1'" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Output Error" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Failed to write to file %1." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Select output directory" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Directory does not exist!" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Directory cannot be read!" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: File will be overwritten." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: File is not writable." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "The input files cannot be written due to an unknown error." #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "The input files cannot be written:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Write input files" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "Configure Job" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Submitting job to MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Job Submission Timeout" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro timed out waiting for a reply from MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Waiting for job %1 “%2” to finish…" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "Stop waiting" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "Fetching completed job information…" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "Job Retrieval Timeout" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro timed out waiting for the finished job details from MoleQueue." #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "Error Submitting Job" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "The job has been rejected by MoleQueue: %1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "No program selected." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "Please select the target program from the \"Queue and Program\" list." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Client failed to submit job to MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Internal error." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Unable to resolve program selection. This is a bug." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "No molecule set in BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "No Io::FileFormat set in BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "No file name set in BackgroundFileFormat!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "Split Horizontal" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "Split Vertical" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Hydrogen" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Lithium" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Beryllium" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Boron" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Carbon" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Nitrogen" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Oxygen" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluorine" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Sodium" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnesium" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Aluminium" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silicon" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Phosphorus" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Sulphur" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Chlorine" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Potassium" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Calcium" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Scandium" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titanium" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadium" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Chromium" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Manganese" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Iron" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Cobalt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nickel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Copper" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Zinc" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsenic" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selenium" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Bromine" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Yttrium" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirconium" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niobium" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molybdenum" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Technetium" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Ruthenium" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rhodium" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Silver" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Cadmium" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Tin" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimony" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Tellurium" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Iodine" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Caesium" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lanthanum" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cerium" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodymium" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodymium" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Promethium" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Thulium" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantalum" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Tungsten" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Rhenium" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platinum" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Gold" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Mercury" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Thallium" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Lead" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bismuth" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astatine" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Actinium" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Thorium" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protactinium" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uranium" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Americium" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Californium" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Roentgenium" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Copernicium" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moscovium" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tennessine" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "Browse" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "Select file:" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "Select executable:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "Unable to find a suitable file reader for the selected file." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "Unable to find a suitable file writer for the selected format." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "handlers" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "handle" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "readers" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "read" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "writers" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "write" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "Multiple %1 found that can %2 this format. Which should be used?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "All files" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "All supported formats" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "Error reading molecule representation: Unrecognized file format: %1" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "%1 Message" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Error writing molecule representation to string: Unrecognized file format: %1" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Error writing molecule representation to string: %1" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "'userOptions' missing." #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "Option '%1' does not refer to an object." #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type' is not a string for option '%1'." #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "Could not find option '%1'." #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "Tab %1" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Title" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "Filename Base" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "Processor Cores" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "Calculation Type" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "Theory" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Basis" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "Charge" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "Multiplicity" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "Error: value must be object for key '%1'." #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Unrecognized option type '%1' for option '%2'." #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "Error setting default for option '%1'. Bad widget type." #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "Error setting default for option '%1'. Bad default value:" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Unhandled widget in collectOptions for option '%1'." #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "[no molecule]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "Layer %1" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Ball and Stick" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Cartoons" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Close Contacts" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Crystal Lattice" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipole Moment" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Force" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "Labels" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Licorice" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "Meshes" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "Non-Covalent" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Symmetry Elements" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Wireframe" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "Untitled" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "Create a new view" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodic Table" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "Error running script '%1 %2': Timed out waiting for start (%3)." #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "Error running script '%1 %2': Timed out waiting for finish (%3)." #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "Warning '%1'" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "Script failed to start." #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "Script crashed." #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "Script timed out." #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "Read error." #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "Write error." #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "Unknown error." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Modify Layers" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Remove Layer" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Remove Layer Info" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Add Layer" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Add Layer Info" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "Change Layer" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Add Atom" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Remove Atom" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "Clear Atoms" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Adjust Hydrogens" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Change Elements" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Change Element" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "Change Atom Hybridization" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "Change Atom Formal Charge" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "Change Atom Colour" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "Change Atom Layer" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Add Bond" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "Removed Bond" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "Clear Bonds" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "Set Bond Orders" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Change Bond Order" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "Update Bonds" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "Update Bond" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "Add Unit Cell…" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "Remove Unit Cell" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "Edit Unit Cell" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "Wrap Atoms to Cell" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "Scale Cell Volume" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "Build Super Cell" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "Niggli Reduction" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "Rotate to Standard Orientation" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "Reduce to Primitive" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "Conventionalize Cell" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "Symmetrize Cell" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Fill Unit Cell" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "Reduce Cell to Asymmetric Unit" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "Change Atom Positions" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "Change Atom Position" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "Change Atom Label" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "Change Selection" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Modify Molecule" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "Settings" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "Cannot load script %1" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "Checking for %1 scripts in path %2" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3DMol HTML Block." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&File" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "&Export" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Build" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Align" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centred at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCentre the atom at the origin." #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Axis:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Align at Origin" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "Align to Axis" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "Centre the atom at the origin." #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "Rotate the molecule to align the atom to the specified axis." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Align tool" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Align molecules to a Cartesian axis" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "Run APBS…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Open Output File…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "&Input" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "Open Output File" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX File (*.dx)" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "IO Error" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "Error reading structure file (%1)." #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "OpenDX Error" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Error reading OpenDX file: %1" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "Error reading OpenDX file: No cube found" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Interact with APBS utilities." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Open PDB File" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB Files (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Open PQR File" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR Files (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Error" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Error running APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Please specify PDB file" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Save APBS Input File" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "APBS Input (*.in)" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "Success" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Input file written to '%1'" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "By Custom Colour…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "By Atomic Index…" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "By Distance…" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "By Element" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "By Chain" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "By Partial Charge…" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "By Secondary Structure" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "By Amino Acid" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "By Shapely Scheme" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "Heat" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "Hot" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "Grey" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "Spectral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "Coolwarm" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "Balance" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Blue-DarkRed" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "Apply colour schemes to atoms and residues." #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&View" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "Colour Atoms" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "Colour Residues" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "Select Colourmap" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "Colourmap:" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "ApplyColours" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Atom scale" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Bond scale" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "Opacity" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Show multiple bonds" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Show hydrogens" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Render atoms as spheres and bonds as cylinders." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Bond-Centric Manipulation" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "%L1°" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "%L1 Å" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Bond centric manipulation tool." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Tool used to edit molecular geometry by changing bond lengths and angles." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Bond Atoms" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "Perceive Bond Orders" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Remove Bonds" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Configure Bonding…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "Bond Selected Atoms" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "Bond" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "Remove bonds from all or selected atoms." #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "Create bonds between all or selected atoms." #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "Perceive bond orders." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Bonding" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Perform bonding operations." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "Backbone" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Trace" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Tube" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Ribbon" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Simple Cartoon" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Cartoon" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Rope" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Display of biomolecule ribbons/cartoons." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Add Centroid" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Add Centre of Mass" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Add Perpendicular" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Centroid" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Add centroids and centre-of-mass." #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "Maximum distance:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Line width:" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Render close contacts between atoms." #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "Contact" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "Salt Bridge" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "Repulsive" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "Edit Colour Opacity Map…" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Extensions" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "ColourOpacityMap" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "Edit colour opacity maps, primarily for volume rendering." #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Error reading output file '%1':\n" "%2" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "Processing %1" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "Set path to Python interpreter:" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Select the Python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "Command scripts" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "Run external script commands" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "Python Settings…" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "Install Python" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Python is used for many Avogadro features. Do you want to download Python?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "ConfigurePython" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Configure Python environments." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "Other…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Atomic &Coordinate Editor…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Coordinate editor" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Text editing of atomic coordinates." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Overwrite changes?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Too few entries on line." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Invalid element name." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Element name." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Invalid element symbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Element symbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "Invalid atom label." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Invalid atomic index." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Atomic index." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Invalid atomic number." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Atomic number." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Invalid coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' lattice coordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Error applying geometry" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Edit Atomic Coordinates" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Custom" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ format (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ format (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ format (atomic numbers)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Lattice coordinates (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Lattice coordinates (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Lattice coordinates (atomic numbers)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "GAMESS format (symbols)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "GAMESS format (names)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Turbomole format" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "Copy" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "InChI" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "Cut" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "Clear" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "&Paste" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "&Edit" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "Copy As" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "Error Clipping Molecule" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "Error generating clipboard data." #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Output format: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Reader error:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "Error Pasting Molecule" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Cannot paste molecule: Clipboard empty!" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "Error reading clipboard data." #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Detected format: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Copy and paste" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Interact with the clipboard." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2K input" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "Generate input for CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energy" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "Energy and Forces" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "Molecular Dynamics" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "Geometry Optimization" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "Electronic structure methods (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "Molecular Mechanics" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Hybrid quantum classical (Not yet supported)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "NONE" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "ATOMIC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "CORE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "DENSITIES" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "HISTORY_RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "RANDOM" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "SPARSE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "Conjugate Gradients" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "Steepest descent" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "Overwrite modified input file?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "Save CP2K input file" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "Submit CP2K Calculation" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Import Crystal from Clipboard…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Toggle Unit Cell" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Edit Unit Cell…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Wrap Atoms to Unit Cell" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Rotate to Standard &Orientation" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Scale Cell &Volume…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "Build &Supercell…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Reduce Cell (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "&Crystal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Remove &Unit Cell" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Add &Unit Cell" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "Import Crystal from Clipboard" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "Wrap atoms into the unit cell." #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "Rotate the unit cell to the standard orientation." #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "Niggli Reduce Crystal" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "The unit cell is already reduced." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Crystal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Tools for crystal-specific editing/analysis." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "Colour axes:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Line colour:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Render the unit cell boundaries." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Cannot Parse Text" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Failed to read the data with the supplied format." #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "No unit cell present." #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "Reassign &Custom Elements…" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "Manipulate custom element types in the current molecule." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Custom Elements" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Draw" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Draw Atom" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "Change Bond Type" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "Remove Bond" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Distance:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "%1 %L2" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Editor tool" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "Automatic" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Single" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Double" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Triple" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "&Import" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "Fetch PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "Could not read the PDB molecule: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB Code" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Chemical structure to download." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Invalid PDB Code" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "The PDB code must be exactly 4 characters long." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "The first character of the PDB code must be 1-9." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "Querying for %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Network Download Failed" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Network timeout or other error." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Specified molecule could not be found: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Fetch from PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "Download PDB models from the Protein Data Bank" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "Focus Selection" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "Unfocus" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Focus" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Focus the view on specific features." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Render the force field visualizations for the atoms of the molecule." #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "Optimize Geometry" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "Forces" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "Configure…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "Freeze Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "Unfreeze Selected Atoms" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "&Calculate" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "No atoms provided for optimisation" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 Energy = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 Force Norm = %L2" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "Force field optimization" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "Force field minimization, including scripts" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Autodetect (%1)" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "Universal Force Field" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "Generalized Amber Force Field" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "Merck Molecular Force Field 94" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "Error retrieving metadata for energy script: %1" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "Error parsing metadata for energy script: %1" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESS input" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Generate input for GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "Single Point" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Equilibrium Geometry" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Transition State" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Frequencies" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Core Potential" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Water" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Doublet" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Dication" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Cation" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neutral" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "Save GAMESS input file" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "Submit GAMESS Calculation" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Adjust Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Add Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Remove E&xtra Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Remove All Hydrogens" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "Add/remove hydrogens from the current molecule." #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "&Hydrogens" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hydrogens" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "&Search PQR…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Import From PQR" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Download a molecule from PQR." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Insert" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "Insert DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "Uracil" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "Thymine" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "Insert Molecule…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "Generating 3D molecule…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "Insert DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "Insert DNA / RNA fragments through a dialog." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "Molecule…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Crystal…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "Error reading file (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "Import Crystal" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Insert Fragment" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Insert Fragment" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Insert molecular fragments for building larger molecules." #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "Colour:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "Distance from centre:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "None" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "Index" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "Unique ID" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "Element & Number" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "Element & ID" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "Partial Charge" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "Atom Label:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "Name" #: qtplugins/label/label.cpp:236 msgid " & " msgstr " & " #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "Residue Label:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Display labels on ball-and-stick style." #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "Edit Labels" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "Create Label" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "Label editor tool" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPS input" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Generate input for LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Opacity:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "Render atoms as licorice/sticks." #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "No descriptors found!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "No line format readers found!" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "Unable to load requested format reader." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "LineFormatInput" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "Load single-line molecule descriptors through an input dialog." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipulate" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Manipulate tool" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Measure" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Dihedral:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Angle:" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "Angles:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Measure tool" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "Render polygon meshes." #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(pending)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "unknown molecule" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "Property" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "Molecule Name" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "Molecular Mass (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "Chemical Formula" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "Number of Atoms" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "Number of Bonds" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "Coordinate Sets" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "Number of Residues" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "Number of Chains" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "Net Charge" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "Net Spin Multiplicity" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "HOMO Energy (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "LUMO Energy (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "SOMO Energy (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "Total Energy (Hartree)" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "Zero Point Energy (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "Enthalpy (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "Entropy (kcal/mol•K)" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "Gibbs Free Energy (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "&Molecular…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "View general properties of a molecule." #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "&Analysis" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Properties" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Molecular Properties" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Molecule Properties" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "Export CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV Files (*.csv);;All Files (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "Could not open the file for writing." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "Error writing to the file." #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "Export…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigate" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "Rotate the scene along the x, y, or z axes." #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "Zoom the scene." #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "Translate the scene." #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "Reverse Direction of Zoom on Scroll" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Navigate tool" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Chemical Name" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Network Databases" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Interact with online databases, query structures etc." #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "Angle tolerance:" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Render a few non-covalent interactions." #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "Halogen" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "Chalcogen" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "Configure Force Field…" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "Conformer Search…" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "Perceive Bonds" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "Add Hydrogens for pH…" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "Remove Hydrogens" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1 not found! Disabling Open Babel plugin actions." #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "The Open Babel file formats are not ready to be added." #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "Loading molecule from Open Babel…" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "An error occurred while running Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "Error parsing openbabel output." #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "An error occurred while retrieving the list of supported force fields. " "(using '%1')." #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molecule invalid. Cannot optimize geometry." #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "Cannot optimize geometry with Open Babel." #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "Optimizing Geometry (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "Generating…" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Starting %1…" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "Updating molecule…" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "Error interpreting Open Babel output." #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "Molecule invalid. Cannot generate conformers." #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "Cannot generate conformers with Open Babel." #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "Generating Conformers (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "Generate Conformers" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "Cannot open file with Open Babel." #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Invalid molecule: Cannot perceive bonds." #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "Perceiving Bonds (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "Generating XYZ representation…" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "Error generating XYZ string." #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Converting XYZ to Open Babel with %1…" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "Updating molecule from Open Babel…" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "Cannot add hydrogens with Open Babel." #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "Adding Hydrogens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "Generating Open Babel input…" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "Error generating Open Babel input." #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "Running %1…" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "Add hydrogens for pH" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "Generating obabel input…" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "Cannot remove hydrogens with Open Babel." #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "Removing Hydrogens (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "Error generating Open Babel data." #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "Reading obabel output…" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Already running Open Babel. Wait for the other operation to complete and try " "again." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Interact with OpenBabel utilities." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "&OpenMM Script…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMM input" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Generate input for OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "True" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "Reference Axes" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "Reference Axes Overlay" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "Render reference axes in the corner of the display." #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "Player" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "Play" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Stop" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "Frame rate:" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "Frame:" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " of %0" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "Dynamic bonding?" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "Record Movie…" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "Movie (*.mp4)" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "Export Bitmap Graphics" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "GIF FPS support warning" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "The GIF file format does not support frame rates over 100 FPS." #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "Movie (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "Error: cannot add frame to video." #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "Cannot save file %1." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Player tool" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Play back trajectories" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "Plot Pair Distribution Function…" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "Failed to generate PDF pattern" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "Error message: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Generate and plot a Pair Distribution Function curve." #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "Plot RMSD curve…" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "PlotRmsd" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "Generate and plot an RMSD curve." #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "Plot Theoretical XRD Pattern…" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "Failed to generate XRD pattern" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "Failed to convert molecule to CIF format." #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Data read from genXrdPattern appears to be corrupt!" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "Error: could not find genXrdPattern executable!" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "Error: " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Generate and plot a theoretical XRD pattern using ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "Update" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "Version" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "Description" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "Error downloading plugin data." #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "Error parsing plugin data." #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "Always" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "Never" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "Failed to download from %1: status code %2, %3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Downloading %1 to %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Extracting %1 to %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "Finished %1 files\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "Extraction successful\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "Error while extracting: %1" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "Download Plugins…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Download Plugins" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Download plugins from GitHub repositories." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY Render…" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "Save File" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Text file (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "Render the scene using PLY." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray Render…" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Text file (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Render the scene using POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Valence" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "Formal Charge" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "Colour" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Type" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "Start Atom" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "End Atom" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "Bond Order" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Length (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "Chain" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "Secondary Structure" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "Heterogen" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "Atom 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Vertex" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "Atom 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "Angle (°)" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "Atom 2" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "Atom 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "Adjust Fragment" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "π-Helix" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "Bend" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "α-Helix" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "β-Sheet" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 helix" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "β-Bridge" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "Turn" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "Coil" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Atom Properties…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Bond Properties…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Angle Properties…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Torsion Properties…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Residue Properties…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" "Tables for displaying and editng atom, bond, angle, and torsion properties." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "PropertyTables" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Atom Properties" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Bond Properties" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Angle Properties" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Torsion Properties" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Conformer Properties" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "Residue Properties" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Renders primitives using QTAIM properties" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Molecular Graph…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "Molecular Graph with Lone Pairs…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "Atomic Charge…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Open WFN File" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN files (*.wfn);;All files (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM extension" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "Quantum input" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "Generate input for quantum codes." #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "Centre" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "Align View to Axes" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "Align view to axes." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Reset view" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Manipulate the view camera." #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "Script Charge Models" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "Load electrostatic models from external scripts." #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "Script File Formats" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "Load file reader/writers from external scripts." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Select All" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Select None" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Invert Selection" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Select by Element…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Select by Atom Index…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Select by Residue…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "Select Backbone Atoms…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "Select Sidechain Atoms…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "Select Water" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "Enlarge Selection" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "Shrink Selection" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "Create New Layer from Selection" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Change selections" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Select" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Select Element" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "Select Backbone" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "Select Sidechain" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Select Atoms by Index" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Atoms to Select:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Select Atom" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Select Atoms by Residue" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Residues to Select:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "Select Residue" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "Select" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Selection" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "Paint Atoms" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Selection tool" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "New Layer" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "Perceive Space Group…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "Symmetrise" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "Fill Unit Cell…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "Reduce to Asymmetric Unit" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "Set Tolerance…" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "Space Group" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "Fill symmetric atoms based on the crystal space group." #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "Perceive Space Group" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "Failure" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "Primitive Reduction" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "Select tolerance in Å:" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "International" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "Select Space Group" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "SpaceGroup" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "Space group features for crystals." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "Plot Spectra…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "Spectra" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "Display spectra plots." #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "Infrared" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "Electronic" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "Circular Dichroism" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "Density of States" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Select Background Colour" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Select Foreground Colour" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "Select Calculated Spectra Colour" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "Select Imported Spectra Colour" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "Vibrational Spectra" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "Wavenumbers (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "Transmission" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "Raman Spectra" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "Intensity" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "NMR Spectra" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "Chemical Shift (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "Electronic Spectra" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Energy (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "Circular Dichroism Spectra" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "Density" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Symmetry" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Status" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "Solvent Accessible" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "Solvent Excluded" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Molecular Orbital" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Electron Density" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "Spin Density" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "From File" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "Create Surfaces…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "Render the van der Waals surface." #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "Render the van der Waals molecular surface." #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "Render the solvent-accessible molecular surface." #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "Render the solvent-excluded molecular surface." #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "Render a molecular orbital." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "Render the electron density." #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "Render the spin density." #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "Render a cube supplied with the file." #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "Calculating electron density" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "Calculating spin density" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Calculating molecular orbital %L1" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "Movie AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "Export Movie" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Surfaces" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Read and render surfaces." #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Render the scene in a SVG file." #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "Class" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "Symmetry…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Provide symmetry functionality." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Render symmetry elements." #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "Group %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "Template" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "Clipboard" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "Insert Template" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "Insert Ligand" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "Template tool" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Simple display of VdW spheres." #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "Vibrational Modes…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "Show the vibrational modes dialog." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Set the vibrational mode." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "Set the vibrational amplitude." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "Start the vibrational animation." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "Stop the vibrational animation." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "Vibrations" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "Display vibrational modes." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "VRML Render…" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Text file (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Render the scene using VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Render the molecule as a wireframe." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "Calculate Band Structure…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "Cannot calculate band structure: no unit cell!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "Yaehmop execution failed with the following error:\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "Failed to read band structure output from Yaehmop!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "Band %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "Fermi Level" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "Cannot find Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "Error: %1 failed to start" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "Yaehmop Input" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Perform extended Hückel calculations with yaehmop." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dialogue" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Form" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Calculation Settings" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "Placeholder text…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Reset" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "Debug Script…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "Submit Calculation…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Save Input…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Queue and Program:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "Refresh" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" "

      Number of processor cores to reserve for this job." #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Processor cores:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Delete remote files when finished:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Hide job in MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" "

      Show a system popup notification when the job's status " "changes.

      " #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Show progress notifications:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Open output when finished:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Rename Elements" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "Insert Fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filter:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "Type a name or part of a name to show only matching files." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Insert" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "3DMol HTML Snippet" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Copy to Clipboard" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Structure Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Generate Input From PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB File:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Force Field:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Run PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Load Existing PQR File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR File:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "APBS Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Save Input File" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Run APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Success!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Load Structure File" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Load Cube File" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "Partial Charges" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "Charge Model:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Distance Tolerance:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Minimum Distance:" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "Volume Rendering" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "Cube" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "Enable volume rendering" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "Enable surface rendering" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "Isovalue" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "Environment name:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "Environment:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Coordinate Editor" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Preset:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Distance Unit:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Ångstrom" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "Help…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Paste" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Revert" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Apply" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2K Input" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Reset All" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Defaults" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "Save File…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Basic Setup" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Title:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "Filename Base:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "job" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Calculate:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Method:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Basis set:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Functional" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Emax Spline Spin" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Poisson EWALD type" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Poisson EWALD Alpha" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "Poisson EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "TRUE" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "OUTER EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "File extension for Open Babel conversion (default - Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Supercell Parameters" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Super Cell Options" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A repeat:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B repeat:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C repeat:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "Unit Cell Editor" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Cell Matrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Fractional Matrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "&Transform Atoms" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Apply" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Revert" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Hide" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Scale Unit Cell Volume" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "New &Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Scaling Factor:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Current Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "TextLabel" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Bond Order:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Geometry Optimization Parameters" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Convergence Criteria" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "Energy convergence:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Step limit:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " units" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " steps" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "Gradient convergence:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Optimization Method" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Force field:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Autodetect" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS Input" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "In:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicity:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "With:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Charge:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "Import From PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Search" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "name" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "tag" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "synonym" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "formula" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Search By: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Formula:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Download" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Name:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Insert Nucleic Acids" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "DNA/RNA Builder" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Nucleic Acids:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Cytosine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Sequence:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "the number of base pairs per helix turn" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "Other" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Bases Per Turn:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Strands:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "Single" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Double" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPS Input" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Input file comments" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Select the unit style to be used during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Units" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "real" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "electron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Water Potential" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Select atom_style used by the data file." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Atom Style" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "angle" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomic" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "bond" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "charge" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipole" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "ellipsoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "full" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molecular" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "sphere" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "wavepacket" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Specify the name to be used for the coordinate file." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Coordinate Data File" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Ensemble" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperature" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Select the number of Nosé-Hoover chains in the NVT ensemble." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "NH Chains" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Time step for the simulation in units according to \"Units\" specification." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Time Step" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Filename of the XYZ file to write during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Dump XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Number of dimensions in the system." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensions" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Change Z boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "fm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Change Y boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Change X boundary style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "Select boundary Styles in X, Y and Z directions." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Boundary" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Number of replicants in X, Y and Z directions." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Replicate" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Replicate the X direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Replicate the Y direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Replicate the Z direction." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Total number of timesteps to run the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Total Steps" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Dump Interval" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Set the initial atom velocities for the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Initial Velocities" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Select the distribution of initial atom velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussian" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "uniform" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "Set the initial atom velocities to match this temperature." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Remove system linear momentum from initial velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Zero Linear Momentum" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Remove system angular momentum from initial velocities." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Zero Angular Momentum" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Control the thermodynamic output during the simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Output" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Output Interval" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Thermodynamic output style." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "One Line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Multi Line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Use Form" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "Generate…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Descriptor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Translate by:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Rotate around:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Origin" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "Centre of Molecule" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "Centre of Selection" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z-axis" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "Move:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "Selected Atoms" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "Everything Else" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Conformer Search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Method" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "Number of conformers:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Systematic rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Random rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Weighted rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Genetic algorithm search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "Optimisation per conformer:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Genetic Algorithm Options" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "number of children for each parent geometry" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "Children:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "mutation frequency (lower = more frequent mutations)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "Mutability:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "number of identical generations before convergence is reached" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "Convergence:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "Scoring method:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "RMSD" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Optimization algorithm:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Line search technique:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Steepest Descent" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "Conjugate Gradient" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Simple" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Newton's Method" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "Limit Non-Bonded Interactions" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "Van der Waals cutoff distance:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Pair update frequency:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "electrostatic cutoff distance:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "Å" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "\"Energy\" convergence:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "OpenMM Script Builder" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Job script:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "script" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Input Coords:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Input Topology:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Force Field:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Water Model:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Implicit Solvent (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Platform:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Reference" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Precision:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "single" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "mixed" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "double" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Device Index:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "OpenCL Platform Index:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "Nonbonded method:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "NoCutoff" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "CutoffNonPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "CutoffPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Ewald Tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Constraints:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "HBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "AllBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "HAngles" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "Constraint Tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "Rigid water?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "False" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "Nonbonded cutoff:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr " nm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Random initial velocity:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Generation Temp.:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrator:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Brownian" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "VariableLangevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "VariableVerlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "Timestep:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr " fs" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Error tolerance:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Collision rate:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "/ps" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Temperature:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Barostat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Pressure:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr " atm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Barostat Interval" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Reporters:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "StateData" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Report Interval:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "Equilibration Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Production Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Minimize?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Max. Minimize Steps:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "StateData options:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Step Index" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Time" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Speed" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Progress" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Potential Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Kinetic Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Total Energy" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "Volume" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "PDF Plot Options" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Maximum Radius:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Step (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Theoretical XRD Pattern Options" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" "

      The broadening of the peak at the base (in degrees)." #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Number of points:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Peak width:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Wavelength:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" "

      The wavelength of the x-ray in Ångstroms.

      Default: 1.50560 Å

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" "

      The number of 2theta points to generate.

      Default: 1000

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "Max 2*theta:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Download Selected" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Critical Point Radius:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Bond Path Radius:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalent" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Constant Size" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Apply Colour" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "Spectra Visualisation" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "Scale Factor:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "X-Axis Minimum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "X-Axis Maximum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "Offset:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "Y-Axis Maximum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "Y-Axis Minimum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "Peak Width:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "Peak Threshold:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Appearance" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Show" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "Imports a tsv of experimental spectra to overlay on the plot." #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Import..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Set Colour..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Imported Spectra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Export..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Background:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "Calculated Spectra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "Font Size:" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "Line Width:" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Export Data" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Close" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&Options…" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "&Load data..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Quality: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Very Low" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Low" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Medium" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "High" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Very High" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Create Surfaces" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Surface:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alpha" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Colour by:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "Electrostatic Potential" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolution:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Isosurface Value:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "Smoothing:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Light" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "Strong" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calculate" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molecule" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Symmetrically equivalent atoms:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Lock Symmetry" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operations" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Symmetry elements:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Subgroups" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Subgroups:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolerance:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Tight" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normal" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Loose" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Very Loose" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Detect Symmetry" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "Centres" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "Formal Charge:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "0" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "+1" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "+2" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "+3" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "+4" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "+5" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "+6" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "+7" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "Coordination:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: Octahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: Trigonal Planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: Tetrahedral" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: Square Planar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: Trigonal Bipyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: Square Pyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: Trigonal Prism" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: Pentagonal Bipyramidal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: Square Antiprism" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "Ligands" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "Type:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "Monodentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "Bidentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "Tridentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "Tetradentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "Hexadentate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "Haptic" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "From Clipboard" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "Ligand:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Groups" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "Group:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "amide" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "carboxylate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "ester" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "ethylene" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "ethyne" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "nitro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "phenyl" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "phosphate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "sulfonate" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Vibrational Modes" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitude:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "Start Animation" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "Stop Animation" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Yaehmop Band" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Min y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density-of-states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density-of-states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density-of-" "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "Plot Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "Zero Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "# of k-points connecting special k-points:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Special k-points" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Max y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "

      The Fermi Level

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" "

      Limit the y-range in the plot?

      Default: off

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "Limit y-range?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Number of Dimensions:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "Display Yaehmop Input?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Andres Montejo Martinez,DiegoJ,Edgardo Fredz," "Enterhase,Feder Sáiz,Federico Vera,Gabriel Ruiz,Geoff Hutchison,Gothmog," "Javier García Díaz,Luis J. Claros,Pablo Catarecha,Rogelio Castillo A.," "cocoloco, ,Launchpad Contributions:,Gabriel Ruiz,Geoff Hutchison,Jen Ockwell," "Marcus D. Hanwell,kuede, ,Launchpad Contributions:,Avogadro Team, ,Launchpad " "Contributions:,Avogadro Team,Brian Burns,Geoff Hutchison,Marcus D. Hanwell, ," "Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff Hutchison,Marcus D. " "Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " "Hutchison,Marcus D. Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro " "Team,Brian Burns,Geoff Hutchison,Marcus D. Hanwell,ascenseur, ,Launchpad " "Contributions:,Avogadro Team,Brian Burns,Geoff Hutchison,Ken Sharp,Marcus D. " "Hanwell,ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " "Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad Contributions:," "Avogadro Team,Brian Burns,Geoff Hutchison,Ken Sharp,Marcus D. Hanwell," "ascenseur, ,Launchpad Contributions:,Avogadro Team,Brian Burns,Geoff " "Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad Contributions:," "Andi Chandler,Anthony Harrington,Avogadro Team,Brian Burns,Chris Woollard," "Geoff Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ,Launchpad " "Contributions:,Andi Chandler,Anthony Harrington,Avogadro Team,Brian Burns," "Chris Woollard,Geoff Hutchison,Ken Sharp,Marcus D. Hanwell,ascenseur, ," "Launchpad Contributions:,Andi Chandler,Anthony Harrington,Avogadro Team," "Brian Burns,Chris Woollard,Geoff Hutchison,Ken Sharp,Marcus D. Hanwell," "ascenseur" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,Nathan_chud@hotmail.com,diegojromerolopez@gmail.com,medeshago@gmail.com," "patricio.oshee@gmail.com,federsaiz@googlemail.com,,debianmaster@gmail." "com,,,,,pczoido@gmail.com,,jalvarezrom@gmail.com,,,debianmaster@gmail.com,," "jenfraggleubuntu@googlemail.com,,,,,avogadro-devel@lists.sourceforge.net,,," "avogadro-devel@lists.sourceforge.net,bburns@aundae.com,,,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,joseph.odell@googlemail." "com,,,avogadro-devel@lists.sourceforge.net,bburns@aundae.com,,,joseph." "odell@googlemail.com,,,avogadro-devel@lists.sourceforge.net,bburns@aundae." "com,,,joseph.odell@googlemail.com,,,avogadro-devel@lists.sourceforge.net," "bburns@aundae.com,,,,joseph.odell@googlemail.com,,,avogadro-devel@lists." "sourceforge.net,bburns@aundae.com,,,,joseph.odell@googlemail.com,,,avogadro-" "devel@lists.sourceforge.net,bburns@aundae.com,,,,joseph.odell@googlemail." "com,,,avogadro-devel@lists.sourceforge.net,bburns@aundae.com,,,,joseph." "odell@googlemail.com,,,,untaintableangel@ubuntu.com,avogadro-devel@lists." "sourceforge.net,bburns@aundae.com,cwoollard@gmail.com,,,,joseph." "odell@googlemail.com,,,,untaintableangel@ubuntu.com,avogadro-devel@lists." "sourceforge.net,bburns@aundae.com,cwoollard@gmail.com,,,,joseph." "odell@googlemail.com,,,,,avogadro-devel@lists.sourceforge.net,bburns@aundae." "com,cwoollard@gmail.com,,,,joseph.odell@googlemail.com" #~ msgid "eV" #~ msgstr "eV" #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "Partial Charge" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgid "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate atoms.\n" #~ msgstr "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate atoms.\n" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgid "Animation Tool" #~ msgstr "Animation Tool" #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgid "" #~ "Template Tool\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "Template Tool\n" #~ "\n" #~ "Insert fragments, including metal centres.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals (AO)" #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "Simple display of VdW spheres with ambient occlusion." #~ msgid "Geometry" #~ msgstr "Geometry" #~ msgid "Add Unit Cell" #~ msgstr "Add &Unit Cell" #~ msgid "By Atomic Index" #~ msgstr "By Atomic Index" #~ msgid "By Distance" #~ msgstr "By Distance" #~ msgid "Select Water…" #~ msgstr "Select Water…" #~ msgid "&Copy" #~ msgstr "&Copy" #~ msgid "Molecule Name:" #~ msgstr "Molecule Name:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molecular Mass (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Chemical Formula:" #~ msgid "Number of Atoms:" #~ msgstr "Number of Atoms:" #~ msgid "Number of Bonds:" #~ msgstr "Number of Bonds:" #~ msgid "TODO" #~ msgstr "TODO" #~ msgid "Line Size:" #~ msgstr "Line Size:" #~ msgid "Optimize" #~ msgstr "Optimize" #~ msgid "In." #~ msgstr "In." #~ msgid "El." #~ msgstr "El." #~ msgid "El.&No." #~ msgstr "El.&No." #~ msgid ", " #~ msgstr ", " #~ msgid "ABPS Input (*.in)" #~ msgstr "ABPS Input (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "Select the Python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgid "Set Python Path…" #~ msgstr "Set Python Path…" #~ msgid "Fragment…" #~ msgstr "Fragment…" #~ msgid "Functional Groups" #~ msgstr "Functional Groups" #~ msgid "Help..." #~ msgstr "Help..." #~ msgid "Submit Calculation..." #~ msgstr "Submit Calculation..." #~ msgid "Save File..." #~ msgstr "Save File..." #~ msgid "Download Plugins..." #~ msgstr "Download Plugins..." #~ msgid "Record Movie..." #~ msgstr "Record Movie..." #~ msgid "" #~ "The file name contains invalid characters. Please choose another file " #~ "name." #~ msgstr "" #~ "The file name contains invalid characters. Please choose another file " #~ "name." #~ msgid "Other..." #~ msgstr "Other..." #~ msgid "Connection failed" #~ msgstr "Connection failed" #, fuzzy #~ msgid "Filename" #~ msgstr "Filename:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Load File" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navigate" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navigate" #~ msgid "OK" #~ msgstr "OK" #~ msgid "Cancel" #~ msgstr "Cancel" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Element name" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "All files" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Rhombohedral" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molecule" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "No molecule set" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #~ msgid "Fragment..." #~ msgstr "Fragment..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Crystal..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Add Hydrogens for pH..." #~ msgid "Atom Properties..." #~ msgstr "Atom Properties..." #~ msgid "Bond Properties..." #~ msgstr "Bond Properties..." #~ msgid "Angle Properties..." #~ msgstr "Angle Properties..." #~ msgid "Torsion Properties..." #~ msgstr "Torsion Properties..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Molecule Properties..." #~ msgid "Create Surfaces..." #~ msgstr "Create Surfaces..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Symmetry" #~ msgid "Insert Fragment..." #~ msgstr "Insert Fragment..." #~ msgid "Theory:" #~ msgstr "Theory:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Distance (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Rotatable" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Conformer %1\n" #~ "Length %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angle %1" #~ msgid "Angle" #~ msgstr "Angle" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsion %1" #~ msgid "Torsion" #~ msgstr "Torsion" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energy (kJ/mol)" #~ msgid "Yes" #~ msgstr "Yes" #~ msgid "No" #~ msgstr "No" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Input Generator..." #, fuzzy #~ msgid "Import" #~ msgstr "Import" #~ msgid "Insert SMILES" #~ msgstr "Insert SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Insert SMILES fragment:" #~ msgid "Insert Crystal" #~ msgstr "Insert Crystal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Insert molecular fragments for building larger molecules" #~ msgid "E&xtensions" #~ msgstr "E&xtensions" #~ msgid "Symmetry Properties..." #~ msgstr "Symmetry Properties..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimise Geometry" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometry Optimization" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Add Hydrogens" #, fuzzy #~ msgid "Stopped" #~ msgstr "Stop" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Surfaces" #~ msgid "Color by Index" #~ msgstr "Colour by Index" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Colour by Index (red, orange, yellow, green, blue, violet)." #~ msgid "Color by Partial Charge" #~ msgstr "Colour by Partial Charge" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "Colour by atomic partial charge (blue = positive, red = negative." #~ msgid "Custom Color:" #~ msgstr "Custom Colour:" #~ msgid "Set custom colors for objects" #~ msgstr "Set custom colours for objects" #~ msgid "Color by Distance" #~ msgstr "Colour by Distance" #~ msgid "Color by distance from the first atom." #~ msgstr "Colour by distance from the first atom." #~ msgid "Color by Element" #~ msgstr "Colour by Element" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Colour by Element (carbon = grey, oxygen = red, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Colour by Residue (amino acid type, hydrophobicity, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS Pattern:" #~ msgid "Highlight Color:" #~ msgstr "Highlight Color:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Colour by SMARTS Pattern" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Highlight particular features which match a SMARTS pattern." #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Engines" #~ msgid "Axes" #~ msgstr "Axes" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Renders the x, y and z axes at the origin" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgid "Dipole" #~ msgstr "Dipole" #~ msgid "Hydrogen Bond" #~ msgstr "Hydrogen Bond" #~ msgid "Renders hydrogen bonds" #~ msgstr "Renders hydrogen bonds" #~ msgid "Select Atom Labels Color" #~ msgstr "Select Atom Labels Color" #~ msgid "Select Bond Labels Color" #~ msgstr "Select Bond Labels Colour" #~ msgid "Select Bond Labels Font" #~ msgstr "Select Bond Labels Font" #~ msgid "Polygon" #~ msgstr "Polygon" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Renders protein backbones as ribbons" #~ msgid "Ring" #~ msgstr "Ring" #~ msgid "Renders rings with colored planes" #~ msgstr "Renders rings with coloured planes" #~ msgid "Simple Wireframe" #~ msgstr "Simple Wireframe" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Renders bonds as wires (lines), ideal for large molecules" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waals Spheres" #~ msgid "Stick" #~ msgstr "Stick" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Electron density, isosurface = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosurface = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgid "Trajectory files" #~ msgstr "Trajectory files" #~ msgid "DL-POLY HISTORY files" #~ msgstr "DL-POLY HISTORY files" #~ msgid "Open Trajectory File" #~ msgstr "Open Trajectory File" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Adding .avi extension" #~ msgid "Animation..." #~ msgstr "Animation..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Cannot read file format of file %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Read trajectory file %1 failed." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Must specify a valid .avi file name" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "GL widget was not correctly initialised in order to save video" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "Invalid video filename. Must include full directory path" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Could not determine format from filename: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animate trajectories, reactions, and vibrations." #~ msgid "Cartesian Editor" #~ msgstr "Cartesian Editor" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgid "Cartesian Editor..." #~ msgstr "Cartesian Editor..." #~ msgid "Cartesian editor" #~ msgstr "Cartesian editor" #~ msgid "Number of atoms: %1" #~ msgstr "Number of atoms: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Number of rotatable bonds: %1" #~ msgid "Add constraint" #~ msgstr "Add constraint" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "Your molecule must contain at least one atom to add a constraint" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgid "&Crystallography" #~ msgstr "&Crystallography" #~ msgid "&Reduce" #~ msgstr "&Reduce" #~ msgid "&Length Unit" #~ msgstr "&Length Unit" #~ msgid "&Angle Unit" #~ msgstr "&Angle Unit" #~ msgid "&Coordinate Display" #~ msgstr "&Coordinate Display" #~ msgid "Coordinate &Preservation" #~ msgstr "Coordinate &Preservation" #~ msgid "&Matrix Display" #~ msgstr "&Matrix Display" #~ msgid "Hide &Editors" #~ msgstr "Hide &Editors" #~ msgid "Show &Editors" #~ msgstr "Show &Editors" #~ msgid "Hide &Property Display" #~ msgstr "Hide &Property Display" #~ msgid "Show &Property Display" #~ msgstr "Show &Property Display" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Lattice Type: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Space group: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Unit cell volume: %L1%2" #~ msgid "Undefined" #~ msgstr "Undefined" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triclinic" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoclinic" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Orthorhombic" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonal" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Cubic" #~ msgid "Paste Crystal" #~ msgstr "Paste Crystal" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Niggli-reduction failed. The input structure's lattice is confusing the " #~ "Niggli-reduction algorithm. Try making a small perturbation (approx. 2 " #~ "orders of magnitude smaller than the tolerance) to the input lattices and " #~ "try again." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Rotate To Standard &Orientation" #~ msgid "&Slab..." #~ msgstr "&Slab..." #~ msgid "Perceive Space&group..." #~ msgstr "Perceive Space &group..." #~ msgid "Set &Spacegroup..." #~ msgstr "Set &Space group..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Fill Unit Cell" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Fill the unit cell using current space group." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Reduce to &Asymmetric Unit" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Sy&mmetrise Crystal" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Reduce Cell (&Primitive)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometre" #~ msgid "&Picometer" #~ msgstr "&Picometre" #~ msgid "&Degree" #~ msgstr "&Degree" #~ msgid "&Radian" #~ msgstr "&Radian" #~ msgid "Display &cartesian coordinates" #~ msgstr "Display &cartesian coordinates" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Preserve &Cartesian Coordinates During Cell Modification" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Preserve &Fractional Coordinates During Cell Modification" #~ msgid "Display &cartesian matrix" #~ msgstr "Display &cartesian matrix" #~ msgid "Display &fractional matrix" #~ msgstr "Display &fractional matrix" #~ msgid "Display as &row vectors" #~ msgstr "Display as &row vectors" #~ msgid "Display as &column vectors" #~ msgstr "Display as &column vectors" #~ msgid "&Crystal View Options..." #~ msgstr "&Crystal View Options..." #~ msgid "" #~ "

      Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

      Cell can be symmetrized into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

      " #~ msgstr "" #~ "

      Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

      Cell can be symmetrised into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

      " #~ msgid "Set Spacegroup" #~ msgstr "Set Space group" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "There is not a space group set for this document.\n" #~ "\n" #~ "Would you like to set a space group now?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Space group P1 detected -- cannot symmetrise to this space group.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgid "Symmetrize Crystal" #~ msgstr "Symmetrise Crystal" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Wrap Atoms To Cell" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Reduce to Niggli Cell" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Select tolerance in current cartesian units:" #~ msgid "Crystallography" #~ msgstr "Crystallography" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Construct and analyse periodic structures." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "VASP Format\n" #~ msgid "Bad Compostion" #~ msgstr "Bad Compostion" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Cartesian Coordinates" #~ msgid "Fractional Coordinates" #~ msgstr "Fractional Coordinates" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Cell Matrix (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Set Unit Cell Matrix" #~ msgid "Set Unit Cell Params" #~ msgstr "Set Unit Cell Params" #~ msgid "Working..." #~ msgstr "Working..." #~ msgid "Build" #~ msgstr "Build" #~ msgid "Cut Slab From Crystal" #~ msgstr "Cut Slab From Crystal" #~ msgid "No GLWidget?" #~ msgstr "No GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Please select one or more atoms." #~ msgid "Trajectory..." #~ msgstr "Trajectory..." #~ msgid "Open chemical file format" #~ msgstr "Open chemical file format" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Chemical files (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Open parameter file" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Chemical files (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Import Trajectory" #~ msgid "Import trajectory files" #~ msgstr "Import trajectory files" #~ msgid "Calculate Energy" #~ msgstr "Calculate Energy" #~ msgid "Conformer Search..." #~ msgstr "Conformer Search..." #~ msgid "Constraints..." #~ msgstr "Constraints..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgid "Geometric Optimization" #~ msgstr "Geometric Optimization" #~ msgid "Systematic Rotor Search" #~ msgstr "Systematic Rotor Search" #~ msgid "Random Rotor Search" #~ msgstr "Random Rotor Search" #~ msgid "Weighted Rotor Search" #~ msgstr "Weighted Rotor Search" #~ msgid "Genetic Algorithm Search" #~ msgstr "Genetic Algorithm Search" #~ msgid "ForceField" #~ msgstr "ForceField" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimise molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgid "&Vector Graphics..." #~ msgstr "&Vector Graphics..." #~ msgid "Common vector image formats" #~ msgstr "Common vector image formats" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Vector graphics export" #~ msgid "Change H to Methyl" #~ msgstr "Change H to Methyl" #~ msgid "H to Methyl" #~ msgstr "H to Methyl" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transform hydrogens to methyl groups" #~ msgid "Add or remove hydrogens" #~ msgstr "Add or remove hydrogens" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Insert DNA/RNA chains" #~ msgid "Peptide..." #~ msgstr "Peptide..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Insert oligopeptide sequences" #~ msgid "Invert Chirality" #~ msgstr "Invert Chirality" #~ msgid "InvertChiral" #~ msgstr "InvertChiral" #~ msgid "Invert chiral centers" #~ msgstr "Invert chiral centres" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "unknown" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Estimated Dipole Moment (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Display standard molecular properties." #~ msgid "Fetch by chemical name..." #~ msgstr "Fetch by chemical name..." #~ msgid "Fetch from URL..." #~ msgstr "Fetch from URL..." #~ msgid "PDB Entry" #~ msgstr "PDB Entry" #~ msgid "PDB entry to download." #~ msgstr "PDB entry to download." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL of molecule to download." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Specified molecule could not be loaded: %1" #~ msgid "Network Fetch" #~ msgstr "Network Fetch" #~ msgid "Fetch molecule files over the network." #~ msgstr "Fetch molecule files over the network." #~ msgid "OrcaExtension Warning" #~ msgstr "OrcaExtension Warning" #~ msgid "OrcaExtension" #~ msgstr "OrcaExtension" #~ msgid " No vibration data found!" #~ msgstr " No vibration data found!" #~ msgid " No vibration data found or molecule changed outside Orca Plugin!" #~ msgstr " No vibration data found or molecule changed outside Orca Plugin!" #~ msgid "Selected displacement data don't fit to the actual molecule!" #~ msgstr "Selected displacement data doesn't fit to the actual molecule!" #~ msgid "extended Geometry File" #~ msgstr "extended Geometry File" #~ msgid "Read Orca Outputfile" #~ msgstr "Read Orca Outputfile" #~ msgid "no file found" #~ msgstr "no file found" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Somethings wrong in the file structure" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "Somethings wrong in the file structure - unitcells" #~ msgid "Something is wrong in the IR output! " #~ msgstr "Something is wrong in the IR output! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "Something is wrong in the raman output! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "Something is wrong in the orbital energy output! " #~ msgid "No geometry found in file!" #~ msgstr "No geometry found in file!" #~ msgid "" #~ "Molecule of the file does not fit the actual molecule structure! \n" #~ " Would you like to override the actual molecule?" #~ msgstr "" #~ "Molecule of the file does not fit the actual molecule structure! \n" #~ " Would you like to override the actual molecule?" #~ msgid "Could not read file!" #~ msgstr "Could not read file!" #~ msgid "Analyse Orca Output..." #~ msgstr "Analyse Orca Output..." #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "Orca Test Example" #~ msgstr "Orca Test Example" #~ msgid "Provides a dialog box with the words \"H...\"." #~ msgstr "Provides a dialogue box with the words \"H...\"." #~ msgid "ORCA Input Deck" #~ msgstr "ORCA Input Deck" #~ msgid "Show Preview" #~ msgstr "Show Preview" #~ msgid "Hide Preview" #~ msgstr "Hide Preview" #~ msgid "RijCosX option not available for the selected DFT functional!" #~ msgstr "RijCosX option not available for the selected DFT functional!" #~ msgid "" #~ "RijCosX not available for the selected DFT functional! \n" #~ "RijCosX option reset!" #~ msgstr "" #~ "RijCosX not available for the selected DFT functional! \n" #~ "RijCosX option reset!" #~ msgid "" #~ "Unsaved changes are made in the actual preview text! \n" #~ " Generating a new preview will lose all changes! \n" #~ " Would you like to override them anyway?" #~ msgstr "" #~ "Unsaved changes are made in the actual preview text! \n" #~ " Generating a new preview will lose all changes! \n" #~ " Would you like to override them anyway?" #~ msgid " OrcaSpectra::No vibration data found!" #~ msgstr " OrcaSpectra::No vibration data found!" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Save POV-Ray rendered image" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Image files (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "No valid filename was supplied." #~ msgid "Does not compute." #~ msgstr "Does not compute." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray failed to start." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgid "Conformer Properties..." #~ msgstr "Conformer Properties..." #~ msgid "Python Terminal" #~ msgstr "Python Terminal" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Interactive python scripting terminal" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Abinit Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgid "Abinit_Input_Deck" #~ msgstr "Abinit_Input_Deck" #~ msgid "Abinit Running." #~ msgstr "Abinit Running." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit Not Installed." #~ msgid "The abinit executable cannot be found." #~ msgstr "The abinit executable cannot be found." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "abinit did not start. Perhaps it is not installed correctly." #~ msgid "Running Abinit calculation..." #~ msgstr "Running Abinit calculation..." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Dalton Input File Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgid "QM Matches" #~ msgstr "QM Matches" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP Selection..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM Selection..." #~ msgid "Delete" #~ msgstr "Delete" #~ msgid "You must make a selection!" #~ msgstr "You must make a selection!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES Conversion Unavailable" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES Format Conversion Not Available!" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Create input files for the GAMESS quantum chemistry package" #~ msgid "Advanced Settings Changed" #~ msgstr "Advanced Settings Changed" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgid "Advanced Settings Reset" #~ msgstr "Advanced Settings Reset" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgid "Basic Settings Reset" #~ msgstr "Basic Settings Reset" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "GAMESS-UK Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "GAMESS-UK Input Deck" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussian Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussian Input Deck" #~ msgid "Gaussian Running." #~ msgstr "Gaussian Running." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian Not Installed." #~ msgid "The G03 executable, cannot be found." #~ msgstr "The G03 executable cannot be found." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 did not start. Perhaps it is not installed correctly." #~ msgid "Running Gaussian calculation..." #~ msgstr "Running Gaussian calculation..." #~ msgid "G03 Crashed." #~ msgstr "G03 Crashed." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian did not run correctly. Perhaps it is not correctly installed." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "Lammps Input Deck Generator Warning" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Molpro Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgid "Molpro Input Deck" #~ msgstr "Molpro Input Deck" #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC Input Warning" #~ msgid "MOPAC Input Deck" #~ msgstr "MOPAC Input Deck" #~ msgid "MOPAC Running." #~ msgstr "MOPAC Running." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "MOPAC is already running. Wait until the previous calculation has " #~ "finished." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC Not Installed." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "The MOPAC executable, cannot be found." #~ msgid "MOPAC failed to start." #~ msgstr "MOPAC failed to start." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC did not start. Perhaps it is not installed correctly." #~ msgid "Running MOPAC calculation..." #~ msgstr "Running MOPAC calculation..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC Crashed." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "NWChem Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgid "NWChem Input Deck" #~ msgstr "NWChem Input Deck" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Psi4 Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgid "Psi4 Input Deck" #~ msgstr "Psi4 Input Deck" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgid "QChem Input Deck" #~ msgstr "QChem Input Deck" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "TeraChem Input Deck Generator Warning" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgid "TeraChem Input Deck" #~ msgstr "TeraChem Input Deck" #~ msgid "Select SMARTS..." #~ msgstr "Select SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Add Named Selection..." #~ msgid "SMARTS Selection" #~ msgstr "SMARTS Selection" #~ msgid "SMARTS pattern to select" #~ msgstr "SMARTS pattern to select" #~ msgid "There is no current selection." #~ msgstr "There is no current selection." #~ msgid "Add Named Selection" #~ msgstr "Add Named Selection" #~ msgid "Name cannot be empty." #~ msgstr "Name cannot be empty." #~ msgid "There is already a selection with this name." #~ msgstr "There is already a selection with this name." #~ msgid "Selections" #~ msgstr "Selections" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Select atoms, bonds, residues..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL Shaders..." #~ msgid "Open a vertex shader source file" #~ msgstr "Open a vertex shader source file" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Vertex shader files (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Open a fragment shader source file" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fragment shader files (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Open a shader parameters file" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Shader parameters files (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL Shaders" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Load and use OpenGL 2.0 GLSL shaders" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensity (arb. units)" #~ msgid "Density of States (states/cell)" #~ msgstr "Density of States (states/cell)" #~ msgid "Density of States (states/atom)" #~ msgstr "Density of States (states/atom)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Density of States (states/valence electron)" #~ msgid "Transmittance (%)" #~ msgstr "Transmittance (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbance (%)" #~ msgid "No intensities" #~ msgstr "No intensities" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualisation." #~ msgid "Activity" #~ msgstr "Activity" #~ msgid "X Axis" #~ msgstr "X Axis" #~ msgid "Y Axis" #~ msgstr "Y Axis" #~ msgid "&Infrared Spectra Settings" #~ msgstr "&Infrared Spectra Settings" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "&NMR Spectra Settings" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "&UV Settings" #~ msgstr "&UV Settings" #~ msgid "&CD Settings" #~ msgstr "&CD Settings" #~ msgid "&Raman Settings" #~ msgstr "&Raman Settings" #~ msgid "No data" #~ msgstr "No data" #~ msgid "Dark" #~ msgstr "Dark" #~ msgid "Publication" #~ msgstr "Publication" #~ msgid "Handdrawn" #~ msgstr "Handdrawn" #~ msgid "New Scheme" #~ msgstr "New Scheme" #~ msgid "Confirm Scheme Removal" #~ msgstr "Confirm Scheme Removal" #~ msgid "Really remove current scheme?" #~ msgstr "Really remove current scheme?" #~ msgid "Change Scheme Name" #~ msgstr "Change Scheme Name" #~ msgid "Enter new name for current scheme:" #~ msgstr "Enter new name for current scheme:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Tab Separated Values (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Tab-Separated Values" #~ msgid "Comma Separated Values" #~ msgstr "Comma-Separated Values" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Spectra Import" #~ msgid "Unknown extension: %1" #~ msgstr "Unknown extension: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR data (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomole IR data (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Turbomole UV data (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Turbomole CD data (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Data Format" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format:" #~ msgid "Load Spectral Data" #~ msgstr "Load Spectral Data" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Turbomole CD file is improperly formatted : %1" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image File Format" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "Save Spectra Image" #~ msgid "Image successfully written to %1" #~ msgstr "Image successfully written to %1" #~ msgid "&Advanced <<" #~ msgstr "&Advanced <<" #~ msgid "&Advanced >>" #~ msgstr "&Advanced >>" #~ msgid "&Spectra..." #~ msgstr "&Spectra..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Visualise spectral data from quantum chemistry calculations" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Vibrational Analysis" #~ msgid "No vibrational displacements exist." #~ msgstr "No vibrational displacements exist." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Visualise vibrational modes from quantum chemistry calculations" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Sorting %1 vibrations by frequency..." #~ msgid "Pause" #~ msgstr "Pause" #~ msgid "Super Cell Builder..." #~ msgstr "Super Cell Builder..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Build and display crystallographic super cells" #~ msgid "Molecular Orbitals..." #~ msgstr "Molecular Orbitals..." #~ msgid "Orbitals" #~ msgstr "Orbitals" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Nothing" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Electron Density" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Error - undefined type" #~ msgid "Calculating VdW Cube" #~ msgstr "Calculating VdW Cube" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Calculating MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "Electrostatic potential surfaces are not yet supported." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Calculate molecular orbitals and other surfaces" #~ msgid "&Nanotube Builder..." #~ msgstr "&Nanotube Builder..." #~ msgid "Nanotube Builder" #~ msgstr "Nanotube Builder" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Invalid Nanotube Specification" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgid "Insert Nanotube" #~ msgstr "Insert Nanotube" #~ msgid "SWCNT Builder" #~ msgstr "SWCNT Builder" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Construct single wall carbon nanotubes." #~ msgid "Building..." #~ msgstr "Building..." #~ msgid "Display point group symmetry." #~ msgstr "Display point group symmetry." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "GL widget was not correctly initialised in order to make a video" #~ msgid "GL widget has no molecule" #~ msgstr "GL widget has no molecule" #~ msgid "Building video " #~ msgstr "Building video " #~ msgid "Could not run mencoder." #~ msgstr "Could not run mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Set Aspect Ratio" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgid "Save VRML rendered files" #~ msgstr "Save VRML rendered files" #~ msgid "VRML..." #~ msgstr "VRML..." #~ msgid "Connect" #~ msgstr "Connect" #~ msgid "Disconnect" #~ msgstr "Disconnect" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Wii Tracking" #~ msgid "Track motion using Wii remotes" #~ msgstr "Track motion using Wii remotes" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgid "Debug Information" #~ msgstr "Debug Information" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "View Size: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Atoms: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: index %1 out of reach." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "File type '%1' is not supported for reading." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "File type for file '%1' is not supported for reading." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Reading molecule with index %1 from file '%2' failed." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "replaceMolecule: index %1 out of reach." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "File type '%1' is not supported for writing." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "File type for file '%1' is not supported for writing." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Could not open file '%1' for reading." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Replacing molecule with index %1 in file '%2' failed." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "File %1 cannot be opened for reading." #~ msgid "File %1 can not be opened for writing." #~ msgstr "File %1 can not be opened for writing." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "Saving molecular file failed - could not rename original file." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "Saving molecular file failed - could not rename new file." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "Saving molecular file failed - could not remove old file." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "File %1 cannot be opened for writing." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Writing conformers to file '%1' failed." #~ msgid "Molecule %1" #~ msgstr "Molecule %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Unknown Python Engine" #~ msgid "N/A" #~ msgstr "N/A" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: checking " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - script has no 'Engine' class defined" #~ msgid " - no module" #~ msgstr " - no module" #~ msgid "Unknown Python Extension" #~ msgstr "Unknown Python Extension" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: checking " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - script has no 'Extension' class defined" #~ msgid "Unknown Python Tool" #~ msgstr "Unknown Python Tool" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: checking " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - script has no 'Tool' class defined" #~ msgid "Conformer %1" #~ msgstr "Conformer %1" #~ msgid "Tools" #~ msgstr "Tools" #~ msgid "Align:" #~ msgstr "Align:" #~ msgid "Everything" #~ msgstr "Everything" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Auto Optimisation Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Could not setup force field...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Num Constraints: %1" #~ msgid "Steps per Update:" #~ msgstr "Steps per Update:" #~ msgid "Algorithm:" #~ msgstr "Algorithm:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Molecular Dynamics (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Molecular Dynamics (900K)" #~ msgid "Start" #~ msgstr "Start" #~ msgid "Fixed atoms are movable" #~ msgstr "Fixed atoms are movable" #~ msgid "Ignored atoms are movable" #~ msgstr "Ignored atoms are movable" #~ msgid "AutoOpt Molecule" #~ msgstr "AutoOpt Molecule" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Automatic optimisation of molecular geometry" #~ msgid "AutoOptimization Settings" #~ msgstr "AutoOptimisation Settings" #~ msgid "Auto Rotation Tool" #~ msgstr "Auto Rotation Tool" #~ msgid "x rotation:" #~ msgstr "x rotation:" #~ msgid "x rotation" #~ msgstr "x rotation" #~ msgid "y rotation:" #~ msgstr "y rotation:" #~ msgid "y rotation" #~ msgstr "y rotation" #~ msgid "z rotation:" #~ msgstr "z rotation:" #~ msgid "z rotation" #~ msgstr "z rotation" #~ msgid "Automatic rotation of molecules" #~ msgstr "Automatic rotation of molecules" #~ msgid "AutoRotate Settings" #~ msgstr "AutoRotate Settings" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Bond Length: %L1" #~ msgid " Show Angles" #~ msgstr " Show Angles" #~ msgid "Snap-to Threshold: " #~ msgstr "Snap-to Threshold: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Bond Centric Manipulate" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulation of bond lengths, angles, and torsions" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Bond Centric Manipulate Settings" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distance (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distance (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Dihedral Angle: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distance(s):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Measure bond lengths, angles, and dihedrals" #~ msgid "Draw Bond" #~ msgstr "Draw Bond" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Draw and edit atoms and bonds" #~ msgid "Draw Settings" #~ msgstr "Draw Settings" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Translate, rotate, and adjust atoms and fragments" #~ msgid "Manipulate Settings" #~ msgstr "Manipulate Settings" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Translate, rotate, and zoom around the current view" #~ msgid "Navigate Settings" #~ msgstr "Navigate Settings" #~ msgid "Selection Mode:" #~ msgstr "Selection Mode:" #~ msgid "Atom/Bond" #~ msgstr "Atom/Bond" #~ msgid "Residue" #~ msgstr "Residue" #~ msgid "Add Center of Atoms" #~ msgstr "Add Centre of Atoms" #~ msgid "Change color of the atom" #~ msgstr "Change colour of the atom" #~ msgid "Change label of the atom" #~ msgstr "Change label of the atom" #~ msgid "Change label of the bond" #~ msgstr "Change label of the bond" #~ msgid "Change radius of the atom" #~ msgstr "Change radius of the atom" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "New Radius, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Select atoms, residues, and molecules" #~ msgid "Symbol" #~ msgstr "Symbol" #~ msgid "Bond Length" #~ msgstr "Bond Length" #~ msgid "Dihedral Angle" #~ msgstr "Dihedral Angle" #~ msgid "Z Matrix Editor..." #~ msgstr "Z Matrix Editor..." #~ msgid "Z-Matrix" #~ msgstr "Z-Matrix" #~ msgid "Create/edit a z-matrix" #~ msgstr "Create/edit a z-matrix" #~ msgid "Z-Matrix Settings" #~ msgstr "Z-Matrix Settings" #~ msgid "Color residues by:" #~ msgstr "Colour residues by:" #~ msgid "Amino Colors" #~ msgstr "Amino Colours" #~ msgid "Hydrophobicity" #~ msgstr "Hydrophobicity" #~ msgid "Axes:" #~ msgstr "Axes:" #~ msgid "Cartesian Axes" #~ msgstr "Cartesian Axes" #~ msgid "Orthogonal Axes" #~ msgstr "Orthogonal Axes" #~ msgid "Axis 1:" #~ msgstr "Axis 1:" #~ msgid "Axis 2:" #~ msgstr "Axis 2:" #~ msgid "Axis 3:" #~ msgstr "Axis 3:" #~ msgid "Origin:" #~ msgstr "Origin:" #~ msgid "Norm" #~ msgstr "Norm" #~ msgid "Preserve vector norms" #~ msgstr "Preserve vector norms" #~ msgid "Atom Radius:" #~ msgstr "Atom Radius:" #~ msgid "Bond Radius:" #~ msgstr "Bond Radius:" #~ msgid "Shape" #~ msgstr "Shape" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Loop" #~ msgid "Dipole:" #~ msgstr "Dipole:" #~ msgid "Custom Vector" #~ msgstr "Custom Vector" #~ msgid "Custom:" #~ msgstr "Custom:" #~ msgid "Width:" #~ msgstr "Width:" #~ msgid "Cut-off radius:" #~ msgstr "Cut-off radius:" #~ msgid "Cut-off angle:" #~ msgstr "Cut-off angle:" #~ msgid "Rendering Engine:" #~ msgstr "Rendering Engine:" #~ msgid "TextRenderer" #~ msgstr "TextRenderer" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Text:" #~ msgid "Symbol & Number in Group" #~ msgstr "Symbol & Number in Group" #~ msgid "Symbol & Atom number" #~ msgstr "Symbol & Atom number" #~ msgid "Partial charge" #~ msgstr "Partial charge" #~ msgid "Residue number" #~ msgstr "Residue number" #~ msgid "Custom data" #~ msgstr "Custom data" #~ msgid "Change Font" #~ msgstr "Change Font" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Label Shift:" #~ msgid "Bond length" #~ msgstr "Bond length" #~ msgid "Bond number" #~ msgstr "Bond number" #~ msgid "Bond order" #~ msgstr "Bond order" #~ msgid "Lines" #~ msgstr "Lines" #~ msgid "Radius:" #~ msgstr "Radio :" #~ msgid "Include Nitrogens" #~ msgstr "Include Nitrogens" #~ msgid "VdW Opacity:" #~ msgstr "VdW Opacity:" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Render:" #~ msgstr "Render:" #~ msgid "Fill" #~ msgstr "Fill" #~ msgid "Points" #~ msgstr "Points" #~ msgid "Draw Box:" #~ msgstr "Draw Box:" #~ msgid "Style:" #~ msgstr "Style:" #~ msgid "Mapped Colors" #~ msgstr "Mapped Colours" #~ msgid "Positive" #~ msgstr "Positive" #~ msgid "Negative" #~ msgstr "Negative" #~ msgid "Show Atoms" #~ msgstr "Show Atoms" #~ msgid "Animate Trajectory" #~ msgstr "Animate Trajectory" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Loop" #~ msgid "Save as .avi..." #~ msgstr "Save as .avi..." #~ msgid "Angstroms" #~ msgstr "Angstroms" #~ msgid "Bohrs" #~ msgstr "Bohrs" #~ msgid "Fractional" #~ msgstr "Fractional" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, coords only" #~ msgid "GAMESS Input #2" #~ msgstr "GAMESS Input #2" #~ msgid "Priroda Input" #~ msgstr "Priroda Input" #~ msgid "Apply Changes" #~ msgstr "Apply Changes" #~ msgid "Cut All" #~ msgstr "Cut All" #~ msgid "Paste to the End" #~ msgstr "Paste to the End" #~ msgid "" #~ "\n" #~ "\n" #~ "

      Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

      " #~ msgstr "" #~ "\n" #~ "\n" #~ "

      Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

      " #~ msgid "(None)" #~ msgstr "(None)" #~ msgid "Sort by " #~ msgstr "Sort by " #~ msgid "Number of atoms:" #~ msgstr "Number of atoms:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Number of rotatable bonds:" #~ msgid "Add Constraints" #~ msgstr "Add Constraints" #~ msgid "Ignore Atom" #~ msgstr "Ignore Atom" #~ msgid "Fix Atom" #~ msgstr "Fix Atom" #~ msgid "Fix Atom X" #~ msgstr "Fix Atom X" #~ msgid "Fix Atom Y" #~ msgstr "Fix Atom Y" #~ msgid "Fix Atom Z" #~ msgstr "Fix Atom Z" #~ msgid "Torsion angle" #~ msgstr "Torsion angle" #~ msgid "Add" #~ msgstr "Add" #~ msgid "Save" #~ msgstr "Save" #~ msgid "Load" #~ msgstr "Load" #~ msgid "Atomic &identites:" #~ msgstr "Atomic &identites:" #~ msgid "Surface Slab Builder" #~ msgstr "Surface Slab Builder" #~ msgid "Plane:" #~ msgstr "Plane:" #~ msgid "&Miller Indices:" #~ msgstr "&Miller Indices:" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Warning: Use non-zero Miller Indices" #~ msgid "Width (x)" #~ msgstr "Width (x)" #~ msgid "Width (y)" #~ msgstr "Width (y)" #~ msgid "Height (z)" #~ msgstr "Height (z)" #~ msgid "length" #~ msgstr "length" #~ msgid "cell repeats" #~ msgstr "cell repeats" #~ msgid "&Translate " #~ msgstr "&Translate " #~ msgid "by arbitrary vector" #~ msgstr "by arbitrary vector" #~ msgid "selected atom to unit cell center" #~ msgstr "selected atom to unit cell centre" #~ msgid "Translation vector:" #~ msgstr "Translation vector:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "&Vector units:" #~ msgid "Cartesian" #~ msgstr "Cartesian" #~ msgid "&Translate" #~ msgstr "&Translate" #~ msgid "Crystal View Options" #~ msgstr "Crystal View Options" #~ msgid "Unit Cell Repeats:" #~ msgstr "Unit Cell Repeats:" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Draw Unit Cell(s)?" #~ msgid "One" #~ msgstr "One" #~ msgid "All" #~ msgstr "All" #~ msgid "Color..." #~ msgstr "Colour..." #~ msgid "View Along:" #~ msgstr "View Along:" #~ msgid "Default View" #~ msgstr "Default View" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Miller Indices" #~ msgid "File Import..." #~ msgstr "File Import..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Attempt to perceive bonds?" #~ msgid "Setup Force Field" #~ msgstr "Setup Force Field" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Number of steps" #~ msgid "Algorithm" #~ msgstr "Algorithm" #~ msgid "10e-" #~ msgstr "10e-" #~ msgid "Alanine" #~ msgstr "Alanine" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Arginine" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Asparagine" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "Aspartic acid" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Cysteine" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "Glutamic acid" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Glutamine" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Glycine" #~ msgid "Gly" #~ msgstr "Gly" #~ msgid "Histidine" #~ msgstr "Histidine" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "Isoleucine" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Valine" #~ msgstr "Valine" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyrosine" #~ msgstr "Tyrosine" #~ msgid "Tyr" #~ msgstr "Tyr" #~ msgid "Tryptophan" #~ msgstr "Tryptophan" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "Threonine" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "Serine" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Proline" #~ msgid "Phenylalanine" #~ msgstr "Phenylalanine" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "Methionine" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Lysine" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "Leucine" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "Sequence (N to C):" #~ msgid "Stereochemistry:" #~ msgstr "Stereochemistry:" #~ msgid "L" #~ msgstr "L" #~ msgid "N Terminus:" #~ msgstr "N Terminus:" #~ msgid "C Terminus:" #~ msgstr "C Terminus:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Structure:" #~ msgstr "Structure:" #~ msgid "Straight Chain" #~ msgstr "Straight Chain" #~ msgid "Alpha Helix" #~ msgstr "Alpha Helix" #~ msgid "Beta Sheet" #~ msgstr "Beta Sheet" #~ msgid "Pi Helix" #~ msgstr "Pi Helix" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "Psi:" #~ msgstr "Psi:" #~ msgid "Chain Number:" #~ msgstr "Chain Number:" #~ msgid "The chain number for the new peptide" #~ msgstr "The chain number for the new peptide" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Number of Residues:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energy (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Dipole Moment (D):" #~ msgid "select Fragment" #~ msgstr "select Fragment" #~ msgid "Basic" #~ msgstr "Basic" #~ msgid "Comment" #~ msgstr "Comment" #~ msgid "Frequency" #~ msgstr "Frequency" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Format" #~ msgstr "Format" #~ msgid "z-Matrix" #~ msgstr "z-Matrix" #~ msgid "z-Matrix compact" #~ msgstr "z-Matrix compact" #~ msgid "Advanced" #~ msgstr "Advanced" #~ msgid "Basis Set" #~ msgstr "Basis Set" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "RijCosX" #~ msgstr "RijCosX" #~ msgid "Aux. Basis Set" #~ msgstr "Aux. Basis Set" #~ msgid "Aux. ECP" #~ msgstr "Aux. ECP" #~ msgid "Relativistic" #~ msgstr "Relativistic" #~ msgid "ZORA" #~ msgstr "ZORA" #~ msgid "IORA" #~ msgstr "IORA" #~ msgid "DKH" #~ msgstr "DKH" #~ msgid "Order" #~ msgstr "Order" #~ msgid "Corr. Aux. Basis Set" #~ msgstr "Corr. Aux. Basis Set" #~ msgid "Corr. ECP" #~ msgstr "Corr. ECP" #~ msgid "Run type" #~ msgstr "Run type" #~ msgid "MOs" #~ msgstr "MOs" #~ msgid "Basis Sets" #~ msgstr "Basis Sets" #~ msgid "Printlevel" #~ msgstr "Printlevel" #~ msgid "Small" #~ msgstr "Small" #~ msgid "Large" #~ msgstr "Large" #~ msgid "Damping" #~ msgstr "Damping" #~ msgid "Factor" #~ msgstr "Factor" #~ msgid "" #~ "

      select only if no defaults are wanted

      " #~ msgstr "" #~ "

      select only if no defaults are wanted

      " #~ msgid "Accuracy" #~ msgstr "Accuracy" #~ msgid "Tight SCF" #~ msgstr "Tight SCF" #~ msgid "Very Tight SCF" #~ msgstr "Very Tight SCF" #~ msgid "Extreme SCF" #~ msgstr "Extreme SCF" #~ msgid "KDIIS" #~ msgstr "KDIIS" #~ msgid "Levelshift " #~ msgstr "Levelshift " #~ msgid "Levelshift" #~ msgstr "Levelshift" #~ msgid "2nd Order" #~ msgstr "2nd Order" #~ msgid "SOSCF" #~ msgstr "SOSCF" #~ msgid "NRSCF" #~ msgstr "NRSCF" #~ msgid "AHSCF" #~ msgstr "AHSCF" #~ msgid "max. SCF iterations" #~ msgstr "max. SCF iterations" #~ msgid "SCF Type" #~ msgstr "SCF Type" #~ msgid "restricted" #~ msgstr "restricted" #~ msgid "unrestricted" #~ msgstr "unrestricted" #~ msgid "restricted open-shell" #~ msgstr "restricted open-shell" #~ msgid "SFitting" #~ msgstr "SFitting" #~ msgid "GridX" #~ msgstr "GridX" #~ msgid "FinalGridX" #~ msgstr "FinalGridX" #~ msgid "Grid" #~ msgstr "Grid" #~ msgid "FinalGrid" #~ msgstr "FinalGrid" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray Export" #~ msgid "Select..." #~ msgstr "Select..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Use full scene antialiasing" #~ msgid "Antialias" #~ msgstr "Antialias" #~ msgid "Set the background color to be transparent" #~ msgstr "Set the background colour to be transparent" #~ msgid "Alpha transparency" #~ msgstr "Alpha transparency" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Render the molecule directly using command line POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Keep the POV-Ray source after rendering has completed" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Keep POV-Ray source after rendering" #~ msgid "Path:" #~ msgstr "Path:" #~ msgid "Abinit Input" #~ msgstr "Abinit Input" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Cartesian (Angstrom)" #~ msgid "Reduced" #~ msgstr "Reduced" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Plane Wave cutoff (Ha):" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Tolerance on forces(Ha/bohr):" #~ msgid "Max lattice expansion:" #~ msgstr "Max lattice expansion:" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "k-point shift:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Number of bands:" #~ msgid "# k-point shifts:" #~ msgstr "# k-point shifts:" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "Double grid PW cutoff (Ha):" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Occupation scheme:" #~ msgid "SCF tolerance type:" #~ msgstr "SCF tolerance type:" #~ msgid "Wave Function norm" #~ msgstr "Wave Function norm" #~ msgid "Total Potential" #~ msgstr "Total Potential" #~ msgid "Relative Force" #~ msgstr "Relative Force" #~ msgid "1 - semiconducting" #~ msgstr "1 - semiconducting" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - Cold Smearing (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 - Gaussian smearing" #~ msgid "Smearing width (Ha):" #~ msgstr "Smearing width (Ha):" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - no moving ions " #~ msgid "1 - viscous damping" #~ msgstr "1 - viscous damping" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS with energy" #~ msgid "# Geometrical time steps:" #~ msgstr "# Geometrical time steps:" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Kinetic Energy smoothing (Ha):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Compute..." #~ msgid "Dalton Input" #~ msgstr "Dalton Input" #~ msgid "Basics" #~ msgstr "Basics" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "Basis Set:" #~ msgstr "Basis Set:" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Pople-style" #~ msgid "Jensen's polarization consistent" #~ msgstr "Jensen's polarisation consistent" #~ msgid "Dunning's correlation consistent" #~ msgstr "Dunning's correlation consistent" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Core correlating functions" #~ msgid "Diffuse functions" #~ msgstr "Diffuse functions" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Direct" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgid "Parallel" #~ msgstr "Parallel" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Grid Specification" #~ msgid "Partitioning Scheme:" #~ msgstr "Partitioning Scheme:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (original)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Grid Quality:" #~ msgid "coarse" #~ msgstr "coarse" #~ msgid "normal" #~ msgstr "normal" #~ msgid "fine" #~ msgstr "fine" #~ msgid "ultrafine" #~ msgstr "ultrafine" #~ msgid "Radial Scheme:" #~ msgstr "Radial Scheme:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Show all functionals" #~ msgid "Property:" #~ msgstr "Property:" #~ msgid "Polarizability" #~ msgstr "Polarisability" #~ msgid "Frequency Dependent" #~ msgstr "Frequency Dependent" #~ msgid "No. excitations:" #~ msgstr "No. excitations:" #~ msgid "EFP Matches" #~ msgstr "EFP Matches" #~ msgid "Group Label:" #~ msgstr "Group Label:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Advanced Setup" #~ msgid "Hessian" #~ msgstr "Hessian" #~ msgid "Stat Point" #~ msgstr "Stat Point" #~ msgid "System" #~ msgstr "System" #~ msgid "MO Guess" #~ msgstr "MO Guess" #~ msgid "Misc" #~ msgstr "Misc" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Heavy Atom Polarisation Functions:" #~ msgid "Read" #~ msgstr "Read" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Diffuse S-Shell on Heavy Atoms" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Diffuse L-Shell on Heavy Atoms" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Double Zeta Valence" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Triple Zeta Valence" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA Valence" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt Valence" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP Type:" #~ msgid "Default" #~ msgstr "Default" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Heavy Atom Polarization Functions:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#light Atom Polarization Functions:" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Max SCF Iterations:" #~ msgstr "Max SCF Iterations:" #~ msgid "Gradient" #~ msgstr "Gradient" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "Saddle Point" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Gradient Extremal" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Radiative Transition mom." #~ msgid "Spin Orbit" #~ msgstr "Spin Orbit" #~ msgid "Finite Electric Field" #~ msgstr "Finite Electric Field" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Global Optimization" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO Optimization" #~ msgid "Raman Intensities" #~ msgstr "Raman Intensities" #~ msgid "Make EFP" #~ msgstr "Make EFP" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "None (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF Type:" #~ msgid "Localization Method:" #~ msgstr "Localization Method:" #~ msgid "Exec Type:" #~ msgstr "Exec Type:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinant" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Occupation Restricted Multiple Active Space" #~ msgid "CI Singles" #~ msgstr "CI Singles" #~ msgid "Full Second Order CI" #~ msgstr "Full Second Order CI" #~ msgid "General CI" #~ msgstr "General CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Linearised CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC with Doubles" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC with Singles and Doubles" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Normal Run" #~ msgid "Check" #~ msgstr "Check" #~ msgid "Debug" #~ msgstr "Debug" #~ msgid "Molecule Charge:" #~ msgstr "Molecule Charge:" #~ msgid "Run Type:" #~ msgstr "Run Type:" #~ msgid "Use MP2" #~ msgstr "Use MP2" #~ msgid "Use DFT" #~ msgstr "Use DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# of Z-Matrix Variables" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Order of Principal Axis:" #~ msgid "Coordinate Type:" #~ msgstr "Coordinate Type:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Unique cartesian Coords." #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrant internals" #~ msgid "MOPAC Z-Matrix" #~ msgstr "MOPAC Z-Matrix" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Use Symmetry During Calculation" #~ msgid "Point Group:" #~ msgstr "Point Group:" #~ msgid "Minutes" #~ msgstr "Minutes" #~ msgid "Hours" #~ msgstr "Hours" #~ msgid "Days" #~ msgstr "Days" #~ msgid "Weeks" #~ msgstr "Weeks" #~ msgid "Years" #~ msgstr "Years" #~ msgid "Millenia" #~ msgstr "Millenia" #~ msgid "MegaWords" #~ msgstr "MegaWords" #~ msgid "MegaBytes" #~ msgstr "MegaBytes" #~ msgid "GigaWords" #~ msgstr "GigaWords" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Force Parallel Methods" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Produce \"core\" file upon abort" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memory:" #~ msgid "Diagonalization Method:" #~ msgstr "Diagonalisation Method:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Parallel Load Balance Type" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Loop" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Next Value" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Use External Data Representation for Messages" #~ msgid "Initial Guess:" #~ msgstr "Initial Guess:" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO Read ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO Saved (DICTNRY)" #~ msgid "Skip" #~ msgstr "Skip" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Rotate Alpha and Beta Orbitals" #~ msgid "Print the Initial Guess" #~ msgstr "Print the Initial Guess" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "GAMESS Interface to Other Codes" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Force a Check Run Type" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK Version)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussian 9x" #~ msgid "Solvate with Water" #~ msgstr "Solvate with Water" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Generate UHF Natural Orbitals" #~ msgid "Direct SCF" #~ msgstr "Direct SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Compute Only Changed in Fock Matrix" #~ msgid "Slater exchange" #~ msgstr "Slater exchange" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 exchange" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr correlation" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater exchange + VWN correlation" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE exchange + VWN5 correlation" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE exchange + LYP correlation" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill 1996 exchange" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: One-parameter Progressive correlation" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP correlation" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE exchange + OP correlation" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL exchange + VWN5 correlation" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL exchange + LYP correlation" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE exchange + VWN6 correlation" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE exchange +LYP correlation" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE exchange + OP correlation" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgid "Grid-Free" #~ msgstr "Grid-Free" #~ msgid "DFT Functional:" #~ msgstr "DFT Functional:" #~ msgid "AO Integral Storage" #~ msgstr "AO Integral Storage" #~ msgid "Duplicated on Each Node" #~ msgstr "Duplicated on Each Node" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distributed Across All Nodes" #~ msgid "words" #~ msgstr "words" #~ msgid "Compute MP2 Properties" #~ msgstr "Compute MP2 Properties" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Integral Retention Cutoff:" #~ msgid "Use Localized Orbitals" #~ msgstr "Use Localised Orbitals" #~ msgid "# of Core Electrons:" #~ msgstr "# of Core Electrons:" #~ msgid "Transformation Method" #~ msgstr "Transformation Method" #~ msgid "Two Phase Bin Sort" #~ msgstr "Two Phase Bin Sort" #~ msgid "Segmented Transformation" #~ msgstr "Segmented Transformation" #~ msgid "Numeric" #~ msgstr "Numeric" #~ msgid "Double Differenced Hessian" #~ msgstr "Double Differenced Hessian" #~ msgid "Print Internal Force Constants" #~ msgstr "Print Internal Force Constants" #~ msgid "Displacement Size:" #~ msgstr "Displacement Size:" #~ msgid "Purify Hessian" #~ msgstr "Purify Hessian" #~ msgid "Frequency Scale Factor:" #~ msgstr "Frequency Scale Factor:" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Initial Hessian" #~ msgid "Guess (+ define)" #~ msgstr "Guess (+ define)" #~ msgid "Read (from $HESS)" #~ msgstr "Read (from $HESS)" #~ msgid "Update Step Size" #~ msgstr "Update Step Size" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Print Orbs at Each Iteration" #~ msgid "Jump Size:" #~ msgstr "Jump Size:" #~ msgid "Stationary Point" #~ msgstr "Stationary Point" #~ msgid "Initial:" #~ msgstr "Initial:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Rational Function Optimisation" #~ msgid "Quadratic Approximation" #~ msgstr "Quadratic Approximation" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Constrained Optimisation" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Recalculate Hessian Every:" #~ msgid "Follow Mode:" #~ msgstr "Follow Mode:" #~ msgid "GAMESS-UK Input" #~ msgstr "GAMESS-UK Input" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "GAMESS-UK input generated by Avogadro" #~ msgid "Transition State Search" #~ msgstr "Transition State Search" #~ msgid "Basis:" #~ msgstr "Basis:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Z-matrix" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgid "Run in direct mode:" #~ msgstr "Run in direct mode:" #~ msgid "Gaussian Input" #~ msgstr "Gaussian Input" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Standard" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Checkpoint:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-matrix (compact)" #~ msgid "MOLPRO Input" #~ msgstr "MOLPRO Input" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Molpro Version:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "MOPAC Input" #~ msgid "Quartet" #~ msgstr "Quartet" #~ msgid "Quintet" #~ msgstr "Quintet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "NWChem Input" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem Input" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "TeraChem Input" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Unrestricted" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "no" #~ msgid "yes" #~ msgstr "yes" #~ msgid "D2" #~ msgstr "D2" #~ msgid "D3" #~ msgstr "D3" #~ msgid "Dispersion:" #~ msgstr "Dispersion:" #~ msgid "Load Shaders" #~ msgstr "Load Shaders" #~ msgid "Shader Name:" #~ msgstr "Shader Name:" #~ msgid "Vertex Shader:" #~ msgstr "Vertex Shader:" #~ msgid "Fragment Shader:" #~ msgstr "Fragment Shader:" #~ msgid "Assign Shader" #~ msgstr "Assign Shader" #~ msgid "Display Type:" #~ msgstr "Display Type:" #~ msgid "Font:" #~ msgstr "Font:" #~ msgid "Change Font..." #~ msgstr "Change Font..." #~ msgid "Foreground:" #~ msgstr "Foreground:" #~ msgid "New..." #~ msgstr "New..." #~ msgid "Rename..." #~ msgstr "Rename..." #~ msgid "&Schemes:" #~ msgstr "&Schemes:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Width:" #~ msgid "&Height" #~ msgstr "&Height" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "px" #~ msgstr "px" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Use an optimised value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Auto-adjust F&ont Size" #~ msgid "Spectra Tab" #~ msgstr "Spectra Tab" #~ msgid "&Gaussian Width:" #~ msgstr "&Gaussian Width:" #~ msgid "&Label peaks" #~ msgstr "&Label peaks" #~ msgid "Rotatory Strength type:" #~ msgstr "Rotatory Strength type:" #~ msgid "Energy units:" #~ msgstr "Energy units:" #~ msgid "Density units" #~ msgstr "Density units" #~ msgid "Fermi Energy: " #~ msgstr "Fermi Energy: " #~ msgid "States / Cell" #~ msgstr "States / Cell" #~ msgid "States / Atom" #~ msgstr "States / Atom" #~ msgid "States / Valence electron" #~ msgstr "States / Valence electron" #~ msgid "Fermi energy at zero" #~ msgstr "Fermi energy at zero" #~ msgid "Scale integrated DOS" #~ msgstr "Scale integrated DOS" #~ msgid "Show integrated DOS" #~ msgstr "Show integrated DOS" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "&Y Axis Units:" #~ msgid "Scaling Type:" #~ msgstr "Scaling Type:" #~ msgid "Relative" #~ msgstr "Relative" #~ msgid "Laser Wavenumber:" #~ msgstr "Laser Wavenumber:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Nucleus:" #~ msgstr "Nucleus:" #~ msgid "Gaussian &Width:" #~ msgstr "Gaussian &Width:" #~ msgid "Reset &Plot Axes" #~ msgstr "Reset &Plot Axes" #~ msgid "Label Peaks:" #~ msgstr "Label Peaks:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Molecular Vibrations" #~ msgid "Filter: " #~ msgstr "Filter: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Activity (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Show Spectra..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "higher frequency vibrations will show faster movement" #~ msgid "Animation speed set by frequency" #~ msgstr "Animation speed set by frequency" #~ msgid "Display force &vectors" #~ msgstr "Display force &vectors" #~ msgid "&Normalize displacements" #~ msgstr "&Normalise displacements" #~ msgid "&Recalculate All" #~ msgstr "&Recalculate All" #~ msgid "Default &Quality:" #~ msgstr "Default &Quality:" #~ msgid "Show occupied orbitals first" #~ msgstr "Show occupied orbitals first" #~ msgid "Limit orbital precalculations to " #~ msgstr "Limit orbital precalculations to " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "orbitals around HOMO/LUMO" #~ msgid "Surface Type:" #~ msgstr "Surface Type:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Low" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Medium" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "High" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Very High" #~ msgid "Isosurface cutoff value" #~ msgstr "Isosurface cutoff value" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "In Display Type:" #~ msgid "New Display" #~ msgstr "New Display" #~ msgid "Advanced..." #~ msgstr "Advanced..." #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "&Length:" #~ msgid "Uni&t:" #~ msgstr "Uni&t:" #~ msgid "periodic units" #~ msgstr "periodic units" #~ msgid "angstrom" #~ msgstr "angstrom" #~ msgid "bohr radii" #~ msgstr "bohr radii" #~ msgid "nanometers" #~ msgstr "nanometres" #~ msgid "&Cap with hydrogen" #~ msgstr "&Cap with hydrogen" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgid "Find &double bonds" #~ msgstr "Find &double bonds" #~ msgid "Molecular Symmetry" #~ msgstr "Molecular Symmetry" #~ msgid "VRML Export" #~ msgstr "VRML Export" #~ msgid "Scale (mm/Å):" #~ msgstr "Scale (mm/Å):" #~ msgid "Smallest sphere (mm): " #~ msgstr "Smallest sphere (mm): " #~ msgid "Thinnest cylinder (mm): " #~ msgstr "Thinnest cylinder (mm): " #~ msgid "Calculate Size..." #~ msgstr "Calculate Size..." #~ msgid "Display visual cues" #~ msgstr "Display visual cues" #~ msgid "Python Settings" #~ msgstr "Python Settings" #~ msgid "Z Matrix Editor" #~ msgstr "Z Matrix Editor" avogadrolibs-1.100.0/i18n/eo.po000066400000000000000000010506611474375334400160760ustar00rootroot00000000000000# Translations for the Avogadro molecular builder. # Copyright (C) 2006-2020 The Avogadro Project # This file is distributed under the same license as the Avogadro package. # phlostically , 2021. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: Avogadro 1.93.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-15 13:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Esperanto \n" "Language: eo\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.10-dev\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Amasa Tasko #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Neniu mesaĝo estis specifita." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "Programeta eligo kun --print-options devas esti JSON-objekto ĉe supra " "nivelo. Riceviĝis la jeno:\n" "%1" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "Liveriĝis nesignoĉena averto." #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "Membro 'warnings' ne estas tabelo." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Ne ekzistas referenca dosiero '%1'." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "Eraro pri plenigo de dosiero %1: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Dosiero '%1' estas misformita. Mankas signoĉenaj membroj 'contents' aŭ " "'filePath'." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Misformita ero pri dosiero: dosiernomo/enhavo mankas aŭ ne estas " "signoĉenoj:\n" "%1" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Misformita ero ĉe indico %1: Ne objekto." #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "Membro 'files' ne estas tabelo." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "Mankas membro 'files'." #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "Membro 'mainFile' ne referencas eron en 'files'." #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "Membro 'mainFile' devas esti signoĉeno." #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "Respondo devas esti JSON-objekto ĉe supra nivelo." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Eligo de programeto:\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Sintaksa eraro ĉe deŝovo %L1: '%2'\n" "Kruda JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:346 #, fuzzy, qt-format #| msgid "" #| "Error writing molecule representation to string: Unrecognized file " #| "format: %1" msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Eraro pri skribado de molekula prezento sur signoĉenon: Nekonata " "dosierformo: %1" #: molequeue/inputgenerator.cpp:354 #, fuzzy, qt-format #| msgid "Error writing molecule representation to string: %1" msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Eraro pri skribado de molekula prezento sur signoĉenon: %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Eraro pri generado de cjson-objekto: Sindaksa eraro ĉe deŝovo %1: %2\n" "Kruda JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Eraro pri generado de cjson-objekto: Analizita JSON ne estas objekto:\n" "%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "Enigo-Generilo (eraro)" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "Enigo-Generilo de %1" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Daŭrigi" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Fermi" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Nekonata" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "La jena dosiero estis modifita:\n" "\n" "%1\n" "\n" "Ĉu superskribi viajn ŝanĝojn por uzi la novajn geometrion aŭ opciojn pri " "tasko?" msgstr[1] "" "La jenaj dosieroj estis modifitaj:\n" "\n" "%1\n" "\n" "Ĉu superskribi viajn ŝanĝojn por uzi la novajn geometrion aŭ opciojn pri " "tasko?" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Ĉu superskribi modifitajn enigajn dosierojn?" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "Okazis problemoj dum generado de enigo:" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "Neniuj konservotaj eniraj dosieroj!" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "Ne povas konekti al MoleQueue" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Ne eblas konekti al MoleQueue-servilo. Bonvolu certigi ke ĝi funkcias kaj " "provi denove." #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "Submeti Kalkulon %1" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "Malsukcesis Tasko" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "La tasko ne finiĝis sukcese." #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "Programeto liveras avertojn:\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "Kaŝi Avertojn (&W)" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "Montri Avertojn (&W)" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "Okazis eraro:" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "Elektu eligan dosiernomon" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "Interna eraro: ne troviĝis teksta fenestraĵo por dosiernomo '%1'" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Eliga Eraro" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Malsukcesis skribo sur dosieron %1." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Elektu eligan dosierujon" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Dosierujo ne ekzistas!" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Dosierujo ne estas legebla!" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: Dosiero estos anstataŭigita." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: Dosiero ne estas surskribebla." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "La enigaj dosieroj ne povas esti skribitaj pro nekonata eraro." #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "La enigaj dosieroj ne povas esti skribitaj:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "La enigaj dosieroj ne povas esti skribitaj:\n" "\n" "%1\n" "\n" "Avertoj:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Averto:\n" "\n" "%1\n" "\n" "Ĉu daŭrigi?" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Skribi sur enigajn dosierojn" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "Agordi Taskon" #: molequeue/molequeuedialog.cpp:57 #, fuzzy #| msgid "Submitting job to MoleQueue..." msgid "Submitting job to MoleQueue…" msgstr "Submetante taskon al MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Templimo de Tasko-Submeto" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro elĉerpis templimon atendante respondon de MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, fuzzy, qt-format #| msgid "Waiting for job %1 '%2' to finish..." msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Atendante finon de tasko %1 '%2'…" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "Ĉesigi atendon" #: molequeue/molequeuedialog.cpp:105 #, fuzzy #| msgid "Fetching completed job information..." msgid "Fetching completed job information…" msgstr "Akirante informojn pri finitaj taskoj…" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "Elĉerpiĝis Templimo pri Repreno de Tasko" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro elĉerpis templimon atendante detalojn pri finitaj taskoj de " "MoleQueue." #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "Eraro pri Submeto de Tasko" #: molequeue/molequeuedialog.cpp:128 #, fuzzy, qt-format #| msgid "The job has been rejected by MoleQueue: %1" msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "MoleQueue rifuzis la taskon: %1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Neniu programo elektita." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" "Bonvolu elekti la celitan programon el la listo \"Taskovico kaj Programo\"." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Kliento malsukcesis submeti taskon al MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Interna eraro." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Ne eblas solvi programan elekton. Jen cimo." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Neniu molekulo agordita en BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Neniu Io::FileFormat agordita en BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Neniu dosiernomo agordita en BackgroundFileFormat!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "Dividi Horizontale" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "Dividi Vertikale" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Hidrogeno" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Heliumo" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Litio" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Berilio" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Boro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Karbono" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Nitrogeno" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Oksigeno" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluoro" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neono" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Natrio" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnezio" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Aluminio" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silicio" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fosforo" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Sulfuro" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Kloro" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argono" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Kalio" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Kalcio" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Skandio" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titano" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanado" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Kromio" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Mangano" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Fero" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Kobalto" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nikelo" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Kupro" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Zinko" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Galiumo" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germanio" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arseno" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Seleno" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Bromo" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Kriptono" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidio" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Stroncio" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Itrio" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirkonio" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niobo" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molibdeno" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Teknecio" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Rutenio" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rodio" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Paladio" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Arĝento" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Kadmio" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indio" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Stano" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimono" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Teluro" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Jodo" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Ksenono" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Cezio" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Bario" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantano" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cerio" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Prazeodimo" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodimo" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Prometio" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samario" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Eŭropio" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinio" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbio" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Disprozio" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmio" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbio" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Tulio" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Iterbio" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutecio" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnio" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantalo" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Volframo" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Renio" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmio" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridio" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Plateno" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Oro" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Hidrargo" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Taliumo" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Plumbo" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bismuto" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonio" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astato" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radono" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Franciumo" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radiumo" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Aktinio" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Torio" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protaktinio" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uranio" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptunio" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutonio" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Americio" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Kuriumo" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkelio" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Kalifornio" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Ejnŝtejnio" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermio" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelevio" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelio" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Laŭrencio" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Ruterfordio" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnio" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seborgio" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Boriumo" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hasio" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Mejtnerio" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmŝtatio" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Rentgenio" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Kopernicio" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihonio" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flerovio" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moskovio" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermorio" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Teneso" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganesono" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "Foliumi" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "Elekti dosieron:" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "Elekti ruleblaĵon:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "Ne troviĝis taŭga dosierlegilo por la elektita dosiero." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "Ne troviĝis taŭga dosierskribilo por la elektita dosiero." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "traktiloj" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "trakti" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "legiloj" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "legi" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "skribiloj" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "skribi" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "Troviĝis pluro da %1 kiu povas %2 ĉi tiun dosierformon. Kiun uzi?" #: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All files (*);;" msgid "All files" msgstr "Ĉiuj dosieroj" #: qtgui/fileformatdialog.cpp:282 #, fuzzy #| msgid "All supported formats (%1);;" msgid "All supported formats" msgstr "Ĉiuj subtenataj dosierformoj" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "Eraro pri legado de molekula prezento: Nekonata dosierformo: %1" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Eraro pri skribado de molekula prezento sur signoĉenon: Nekonata " "dosierformo: %1" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Eraro pri skribado de molekula prezento sur signoĉenon: %1" #: qtgui/jsonwidget.cpp:86 #, fuzzy msgid "'userOptions' missing." msgstr "'userOptions' mankas aŭ ne estas objekto." #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "Opcio '%1' ne referencas objekton." #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type' ne estas signoĉeno por opcio '%1'." #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Titolo" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "Dosiernoma Bazo" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "Procesorkernoj" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "Tipo de Kalkulado" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "Teorio" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Bazo" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "Ŝargo" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "Oblo" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "Eraro: valoro de ŝlosilo '%1' devas esti objekto." #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Nekonata opciotipo '%1' de opcio '%2'." #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" "Eraro pri agordado de aprioro de opcio '%1'. Netaŭga tipo de fenestraĵo." #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "Eraro pri agordado de aprioro de opcio '%1'. Netaŭga apriora valoro:" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Eraro pri agordado de aprioro de opcio '%1'. Ne troviĝis valida kombina " "erindico respondanta al valoro:" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Ne pritraktita fenestraĵo en collectOptions por opcio '%1'." #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "[neniu molekulo]" #: qtgui/layermodel.cpp:85 #, fuzzy, qt-format #| msgid "Layer" msgid "Layer %1" msgstr "Tavolo %1" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Pilkoj kaj Bastonoj" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Kristala Krado" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Forto" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Etikedo" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 #, fuzzy #| msgid "Licorice" msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Glicirizo" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "Maŝoj" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 #, fuzzy #| msgid "QTAIM" msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Simetriaj Elementoj" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Drata kadro" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "Sentitola" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "Krei novan vidon" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Perioda Tabelo" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Eraro pri rulado de programeto '%1 %2': Templimo elĉerpiĝis dum atendado de " "komenco (%3)." #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Eraro pri rulado de programeto '%1 %2': malsukcesis skribi al ĉefenigujo " "(longo=%3, skribis %4 bajtojn, QProcess-eraro: %5)." #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Eraro pri rulado de programeto '%1 %2': Templimo elĉerpiĝis dum atendado de " "fino (%3)." #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Eraro pri rulado de programeto '%1 %2': Nenormala elirstato %3 (%4: %5)\n" "\n" "Eligo:\n" "%6" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "Malsukcesis lanĉo de programeto." #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "Programeto kolapsis." #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "Programeto elĉerpis templimon." #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "Eraro pri legado." #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "Eraro pri skribado." #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "Nekonata eraro." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Modifi tavolojn" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Forigi tavolon" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Forigi informojn pri tavolo" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Aldoni tavolon" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Aldoni informojn pri tavolo" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "Ŝanĝi tavolon" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Aldoni Atomon" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Forigi Atomon" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "Forviŝi Atomojn" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Alĝustigi Hidrogenojn" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Ŝanĝi Elementojn" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Ŝanĝi Elementon" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "Ŝanĝi Atoman Hibridiĝon" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "Ŝanĝi Formalan Ŝargon de Atomo" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "Ŝanĝi Atoman Koloron" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "Ŝanĝi atoman tavolon" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Aldoni Ligon" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "Forigis Ligon" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "Forviŝi Ligojn" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "Agordi Ligan Ordon" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Ŝanĝi Ligan Ordon" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "Ĝisdatigi Ligojn" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "Ĝisdatigi Ligon" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "Forigi Unitan Ĉelon" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "Redakti Unitan Ĉelon" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "Faldi Atomojn en Ĉelon" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "Ŝanĝi Ĉelan Volumon" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "Konstrui Superĉelon" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "Niggli-Redukto" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "Turni al Norma Orientiĝo" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "Redukti Primitiven" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "Konvenciigi Ĉelon" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "Simetriigi Ĉelon" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Plenigi Unitan Ĉelon" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "Redukti Ĉelon al Nesimetria Unito" #: qtgui/rwmolecule.h:214 #, fuzzy #| msgid "Change Atom Hybridization" msgid "Change Atom Positions" msgstr "Ŝanĝi Atoman Poziciojn" #: qtgui/rwmolecule.h:224 #, fuzzy #| msgid "Change Atom Color" msgid "Change Atom Position" msgstr "Ŝanĝi Atoman Pozicio" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 #, fuzzy #| msgid "Change selections" msgid "Change Selection" msgstr "Ŝanĝi elektojn" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Modifi Molekulon" #: qtgui/scenepluginmodel.cpp:92 #, fuzzy #| msgid "Server settings" msgid "Settings" msgstr "Agordoj" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "HTML-Bloko de 3DMol." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "Dosiero (&F)" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "&Eksporti" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "Konstrui (&B)" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Elemento:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "Ruli APBS…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Malfermi Eligan Dosieron…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "&Enigo" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "Malfermi Eligan Dosieron" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX-Dosiero (*.dx)" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "Eneliga Eraro" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "Eraro dum legado de struktura dosiero (%1)." #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "Eraro pri OpenDX" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Eraro dum legado de OpenDX-dosiero: %1" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "Eraro pri legado de OpenDX-dosiero: Neniu kubo trovita" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Interagi kun APBS-utilaĵoj." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Malfermi PDB-Dosieron" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB-Dosieroj (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Malfermi PQR-Dosieron" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR-Dosieroj (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Eraro" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Eraro pri rulado de APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Bonvolu specifi PDB-dosieron" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Konservi Enigan Dosieron de APBS" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "Sukceso" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Eniga dosiero skribita al '%1'" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "Laŭ Elemento" #: qtplugins/applycolors/applycolors.cpp:72 #, fuzzy msgid "By Chain" msgstr "Ĉenoj" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy #| msgid "Partial Charge" msgid "By Partial Charge…" msgstr "Laŭ Parta Ŝargo…" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Vidi" #: qtplugins/applycolors/applycolors.cpp:152 #, fuzzy msgid "Color Atoms" msgstr "Koloro Atomojn" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 #, fuzzy msgid "ApplyColors" msgstr "Apliki Koloron" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "Opakeco" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Montri pluroblajn ligojn" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 #, fuzzy msgid "Show hydrogens" msgstr "Montri hidrogenojn" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Montri atomojn kiel sferojn kaj ligojn kiel cilindrojn." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Manipulado pri ligoj" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "%L1°" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "%L1 Å" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Ilo por manipulado pri ligoj." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Ilo por redakti molekulan geometrion ŝanĝante longojn kaj angulojn de ligoj." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Ligaj Atomoj" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Forigi Ligojn" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Agordi Ligadon…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "Ligo" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Ligado" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Fari ligajn operaciojn." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 #, fuzzy #| msgid "Minimum Distance:" msgid "Maximum distance:" msgstr "Maksimuma Distanco:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 #, fuzzy #| msgid "Edit Color Opacity Map..." msgid "Edit Color Opacity Map…" msgstr "Redakti Mapon de Kolora Opakeco…" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Etendaĵoj" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "Mapo de Kolora Opakeco" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "Redakti mapon de kolora opakeco, ĉefe por volumena bildigo." #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "Programetoj" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Eraro pri legado de eliga dosiero '%1':\n" "%2" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "Traktante %1" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "Agordi dosierindikon al Python-interpretilo:" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Elektu la Python-interpretilon por lanĉi eksterajn programetojn.\n" "Avogadro devas restarti por efektivigi ŝanĝojn." #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "Komandprogrametoj" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "Ruli eksterajn programetajn komandojn" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 #, fuzzy #| msgid "Other..." msgid "Other…" msgstr "Alia…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy #| msgid "Atomic &Coordinate Editor..." msgid "Atomic &Coordinate Editor…" msgstr "Redaktilo de Atomaj Koordinatoj… (&C)" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Koordinato-Redaktilo" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Teksta redaktado de atomaj koordinatoj." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Ĉu superskribi ŝanĝojn?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "La tekstodokumento estis modifita. Ĉu vi volas forĵeti viajn ŝanĝojn kaj " "aktualigi la molekulon?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Tro malmulte da eroj en linio." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Nevalida nomo de elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Nomo de elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Nevalida simbolo de elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Simbolo de elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Atoma Indico." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Nevalida atomnumero." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Atomnumero." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Nevalida koordinato." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X-koordinato." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y-koordinato." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z-koordinato." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "Krada koordinato 'a'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "Krada koordinato 'b'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "Krada koordinato 'c'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Eraro pri geometrio" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Malsukcesis analizi specifon de geometrio. Korektu la elstarigitajn erarojn " "kaj reprovu.\n" "\n" "(Konsilo: Ŝvebigu musmontrilon super ruĝa teksto por priskribo de la eraro.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Redakti Atomajn Koordinatojn" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Laŭmenda" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ-dosierformo (simboloj)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ-dosierformo (nomoj)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ-dosierformo (atomnumeroj)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Kradaj koordinatoj (simboloj)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Kradaj koordinatoj (nomoj)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Kradaj koordinatoj (atomnumeroj)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "GAMESS-dosierformo (simboloj)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "GAMESS-dosierformo (nomoj)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Turbomole-dosierformo" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "Kopii" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "InChI" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "Eltondi" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "Forviŝi" #: qtplugins/copypaste/copypaste.cpp:35 #, fuzzy #| msgid "Paste" msgid "&Paste" msgstr "Alglui" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "R&edakti" #: qtplugins/copypaste/copypaste.cpp:81 #, fuzzy #| msgid "Copy" msgid "Copy As" msgstr "Kopii kiel" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "Eraro pri Tondado de Molekulo" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "Eraro pri generado de tonduja dateno." #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Eliga dosierformo: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Eraro de legilo:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "Eraro pri Algluado de Molekulo" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Ne eblas alglui molekulon: Tondujo malplena!" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "Eraro pri legado de tonduja dateno." #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Trovis dosierformon: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Kopii kaj alglui" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Interagi kun la tondujo." #: qtplugins/cp2kinput/cp2kinput.cpp:33 #, fuzzy msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2K-enigo" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "Generi enigon por CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energio" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "Energio kaj Fortoj" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "Molekula Dinamiko" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "Optimumigo de Geometrio" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "Elektronstrukturaj metodoj (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "Molekula Mekaniko" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Hibrida kvantuma-klasika (ne jam subtenata)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "NONE" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "ATOMIC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "CORE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "DENSITIES" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "HISTORY_RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "RANDOM" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "SPARSE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "Konjugaj Gradientoj" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "Plej kruta malsupreniro" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "La eniga dosiero estis modifita. Ĉu superskribi viajn ŝanĝojn por uzi la " "novajn geometrion aŭ opciojn pri tasko?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "Ĉu superskribi modifitan enigan dosieron?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "Konservi enigan dosieron de CP2K" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "Submeti CP2K-Kalkulon" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy #| msgid "Import Crystal from Clipboard" msgid "Import Crystal from Clipboard…" msgstr "Importi Kristalon el Tondujo…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Baskuligi Unitan Ĉelon" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy #| msgid "Edit Unit Cell" msgid "Edit Unit Cell…" msgstr "Redakti Unitan Ĉelon…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "Faldi Atomojn en Unitan Ĉelon (&W)" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Turni al Norma &Orientiĝo" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy #| msgid "Scale Cell &Volume" msgid "Scale Cell &Volume…" msgstr "Ŝanĝi Ĉelan &Volumenon…" #: qtplugins/crystal/crystal.cpp:74 #, fuzzy #| msgid "Build &Supercell" msgid "Build &Supercell…" msgstr "Konstrui &Superĉelon…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Redukti Ĉelon (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "Kristalo (&C)" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Forigi &Unitan Ĉelon" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Aldoni &Unitan Ĉelon" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "Importi Kristalon el Tondujo" #: qtplugins/crystal/crystal.cpp:175 #, fuzzy #| msgid "&Wrap Atoms to Unit Cell" msgid "Wrap atoms into the unit cell." msgstr "Faldi Atomojn en Unitan Ĉelon." #: qtplugins/crystal/crystal.cpp:177 #, fuzzy #| msgid "Rotate to Standard Orientation" msgid "Rotate the unit cell to the standard orientation." msgstr "Turni al Norma Orientiĝo" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "Niggli-Redukti Kristalon" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "La unita ĉelo jam estas reduktita." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Kristalo" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Iloj por kristal-specifaj redaktado/analizo." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Montri la limojn de unita ĉelo." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Ne Povas Sintakse Analizi Tekston" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Malsukcesis legi la datenojn laŭ la provizita dosierformo." #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "Neniu unita ĉelo ĉeestas." #: qtplugins/customelements/customelements.cpp:19 #, fuzzy #| msgid "Reassign &Custom Elements..." msgid "Reassign &Custom Elements…" msgstr "Reasigni Laŭmendajn Elementojn… (&C)" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "Manipuli laŭmendajn elementajn tipojn en la aktuala molekulo." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Laŭmendaj Elementoj" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Desegni" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Desegni Atomon" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "Ŝanĝi Ligan Tipon" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "Forigi Ligon" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Distanco:" #: qtplugins/editor/editor.cpp:268 #, fuzzy, qt-format msgid "%1 %L2" msgstr "%1 %L2" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Redakta ilo" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "Aŭtomata" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Unuobla" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Duobla" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Triobla" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "&Importi" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy #| msgid "Fetch from PDB" msgid "Fetch PDB" msgstr "Elŝuti el PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB-kodo" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Elŝutota kemia strukturo." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "Serĉante %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Malsukcesis Reta Elŝuto" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Reta templimo aŭ alia eraro." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Specifita molekulo ne troviĝis: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Elŝuti el PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "Elŝuti PDB-modelojn el la Proteina Datenbanko" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Montri la fortokampon de la atomoj en la molekulo." #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "Optimumigi Geometrion" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy #| msgid "Configure Bonding…" msgid "Configure…" msgstr "Agordi…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "Kalkuli" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Aŭtomate trovi (%1)" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESS-enigo" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Generi enigon por GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "Unu Punkto" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Ekvilibra Geometrio" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Transira Stato" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Frekvencoj" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Kerna Potencialo" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gaso" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Akvo" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Unuopo" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Duopo" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Triopo" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Dikatjono" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Katjono" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neŭtra" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anjono" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianjono" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "Konservi enigan dosieron por GAMESS" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "Submeti GAMESS-Kalkulon" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Alĝustigi Hidrogenojn" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Aldoni Hidrogenojn" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Forigi Nenecesajn Hidrogenojn (&X)" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "Fo&rigi Ĉiujn Hidrogenojn" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "Aldoni/forigi hidrogenojn al/el la aktuala molekulo." #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "&Hidrogenoj" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrogenoj" #: qtplugins/importpqr/importpqr.cpp:25 #, fuzzy #| msgid "Search" msgid "&Search PQR…" msgstr "&Serĉi PQR…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Importi el PQR" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Elŝuti molekulon el PQR." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "Enmet&i" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 #, fuzzy #| msgid "Insert Molecule..." msgid "Insert Molecule…" msgstr "Enmeti Molekulon…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 #, fuzzy #| msgid "Generating 3D molecule..." msgid "Generating 3D molecule…" msgstr "Generante 3D-molekulon…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "Molekulo…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy #| msgid "Crystal" msgid "Crystal…" msgstr "Kristalo…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "Eraro dum legado de dosiero (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "Importi Kristalon" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Enmeti Fragmenton" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Enmeti Fragmenton" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Enmeti molekulajn fragmentojn por konstrui pli grandajn molekulojn." #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 #, fuzzy msgid "Color:" msgstr "Koloro:" #: qtplugins/label/label.cpp:170 #, fuzzy msgid "Distance from center:" msgstr "Distanca de centro:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Nenio" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 #, fuzzy msgid "Index" msgstr "Indico" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Elemento" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "Nomo" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 #, fuzzy msgid "Edit Labels" msgstr "Teksta Etikedo" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 #, fuzzy msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPS-enigo" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Generi enigon por LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Ĉu ĝisdatigi la antaŭrigardan tekston, perdante ĉiujn ŝanĝojn faritajn en la " "antaŭrigarda panelo de Lammps?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Opakeco:" #: qtplugins/licorice/licorice.h:36 #, fuzzy msgid "Render atoms as licorice / sticks." msgstr "Montri atomojn kiel glicirizon / bastonoj." #: qtplugins/lineformatinput/lineformatinput.cpp:31 #, fuzzy #| msgid "SMILES" msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 #, fuzzy #| msgid "InChI" msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "Neniu priskriboj trovitaj!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "Troviĝis neniu legilo de liniformo!" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "Ne eblas ŝargi petitan formolegilon." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "Liniforma Enigo" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "Ŝargi unulinian molekulan priskribon per eniga dialogo." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipuli" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Manipula ilo" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Mezuri" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Duedra:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Angulo:" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "Anguloj:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Mezura ilo" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy #| msgid "Molecular Graph..." msgid "&Molecular…" msgstr "&Molekula…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "Vidi ĝeneralajn atributojn de molekulo." #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "&Analizo" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Atributoj" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Atributoj de Molekulo" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 #, fuzzy msgid "Molecule Properties" msgstr "Atributoj de Molekulo" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 #, fuzzy #| msgid "WFN files (*.wfn);;All files (*.*)" msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV-dosieroj (*.csv);;Ĉiuj dosieroj (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy #| msgid "&Export" msgid "Export…" msgstr "Eksporti…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigi" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Naviga ilo" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Kemia Nomo" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Retaj Datenbankoj" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Interagi kun retaj datenbankoj, serĉi strukturojn, ktp." #: qtplugins/noncovalent/noncovalent.cpp:340 #, fuzzy #| msgid "°" msgid " °" msgstr "°" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 #, fuzzy #| msgid "Configure Force Field..." msgid "Configure Force Field…" msgstr "Agordi Fortokampon…" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "Trovi Ligojn" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy #| msgid "Add hydrogens for pH" msgid "Add Hydrogens for pH…" msgstr "Aldoni hidrogenojn por pH…" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "Forigi Hidrogenojn" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1 ne troviĝis! Malŝaltante agojn de OpenBabel-kromprogramo." #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "&OpenBabel" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "La OpenBabel-dosierformoj ne pretas aldoniĝi." #: qtplugins/openbabel/openbabel.cpp:203 #, fuzzy #| msgid "Loading molecule from CML..." msgid "Loading molecule from Open Babel…" msgstr "Ŝargante molekulon el Open Babel…" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Okazis interna eraro: alvokiĝis OpenBabel::readMolecule, sed neniu analizota " "OpenBabel-eligo disponeblas!" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "Okazis eraro dum rulado de OpenBabel (%1)." #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "Eraro pri sintakso de OpenBabel-eligo." #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Okazis eraro akirante la liston de subtenataj fortokampoj. (uzante '%1')." #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molekulo ne estas valida. Ne eblas optimumigi geometrion." #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "Ne eblas optimumigi geometrion per OpenBabel." #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "Optimumigante Geometrion (OpenBabel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 #, fuzzy #| msgid "Generating MDL..." msgid "Generating…" msgstr "Generante…" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 #, fuzzy #| msgid "" #| "An internal error occurred while generating an CML representation of the " #| "current molecule." msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Interna eraro okazis generante Open Babel-prezenton de la aktuala molekulo." #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, fuzzy, qt-format #| msgctxt "arg is an executable file." #| msgid "Starting %1..." msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Lanĉante %1…" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Paŝo %1 el %2\n" "Aktuala energio: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 #, fuzzy #| msgid "Updating molecule..." msgid "Updating molecule…" msgstr "Ĝisdatigante molekulon…" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "Eraro pri interpretado de OpenBabel-eligo." #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Nombro de atomoj en OpenBabel-eligo (%1) ne kongruas kun la nombro de atomoj " "en la originala molekulo (%2)." #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "Ne eblas malfermi dosieron per OpenBabel." #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Ne valida molekulo: Ne eblas trovi ligojn." #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "Trovante Ligojn (per OpenBabel)" #: qtplugins/openbabel/openbabel.cpp:742 #, fuzzy #| msgid "Generating XYZ representation..." msgid "Generating XYZ representation…" msgstr "Generante XYZ-prezenton…" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "Eraro pri generado de XYZ-signoĉeno." #: qtplugins/openbabel/openbabel.cpp:760 #, fuzzy, qt-format #| msgid "Converting XYZ to CML with %1..." msgid "Converting XYZ to Open Babel with %1…" msgstr "Konvertante XYZ al Open Babel laŭ %1…" #: qtplugins/openbabel/openbabel.cpp:770 #, fuzzy #| msgid "Updating molecule from CML..." msgid "Updating molecule from Open Babel…" msgstr "Ĝisdatigante molekulon laŭ Open Babel…" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "Ne eblas aldoni hidrogenojn per OpenBabel." #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "Aldonante Hidrogenojn (OpenBabel)" #: qtplugins/openbabel/openbabel.cpp:828 #, fuzzy #| msgid "Generating Open Babel input..." msgid "Generating Open Babel input…" msgstr "Generante enigon de Open Babel…" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "Eraro pri generado de enigo de OpenBabel." #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, fuzzy, qt-format #| msgid "Running %1..." msgid "Running %1…" msgstr "Rulante %1…" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "Aldoni hidrogenojn por pH" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 #, fuzzy #| msgid "Generating obabel input..." msgid "Generating obabel input…" msgstr "Generante enigon de obabel…" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "Ne eblas forigi hidrogenojn per OpenBabel." #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "Forigante Hidrogenojn (OpenBabel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 #, fuzzy #| msgid "Reading obabel output..." msgid "Reading obabel output…" msgstr "Legante eligon de OpenBabel…" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Jam ruliĝas OpenBabel. Atendu la finon de la alia operacio kaj reprovu." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Interagi kun OpenBabel-utilaĵoj." #: qtplugins/openmminput/openmminput.cpp:30 #, fuzzy msgid "&OpenMM Script…" msgstr "&OpenMM-Programetoj…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMM-enigo" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Generi enigon por OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Ĉu ĝisdatigi la antaŭrigardan tekston, perdante ĉiujn ŝanĝojn faritajn en la " "antaŭrigarda panelo de OpenMM?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "Vera" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "Surmeto de Referencaj Aksoj" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "Montri referencajn aksojn ĉe angulo de la montrejo." #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "Ludilo" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "Ludi" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Paŭzi" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "Rapido de filmeroj:" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr " filmeroj en sekundo" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "Filmero:" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " el %0" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "Ĉu dinamika ligado?" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 #, fuzzy #| msgid "Record Movie..." msgid "Record Movie…" msgstr "Registri Filmeton…" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "Filmeto (*.mp4)" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "Eksporti Rastruman Grafikaĵon" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Filmeto (*.mp4);;Filmeto (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "Averto pri nombro de filmeroj en GIF-dosiero" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "La GIF-dosierformo ne subtenas filmerojn pli ol po 100 en sekundo." #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "Filmeto (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "Eraro: ne povas aldoni filmeron al filmeto." #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "Ne povas konservi dosieron %1." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Ludila ilo" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Reludi trajektorion" #: qtplugins/plotpdf/plotpdf.cpp:37 #, fuzzy #| msgid "Plot Pair Distribution Function..." msgid "Plot Pair Distribution Function…" msgstr "Desegni Paro-Distribuan Funkcion…" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "Malsukcesis generado de paro-distribua funkcio" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "Erarmesaĝo: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Generi kaj dezegni kurbon de paro-distribua funkcio." #: qtplugins/plotrmsd/plotrmsd.cpp:30 #, fuzzy #| msgid "Plot RMSD curve..." msgid "Plot RMSD curve…" msgstr "Desegni RMSD-kurbon…" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "PlotRmsd" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "Generi kaj desegni RMSD-kurbon." #: qtplugins/plotxrd/plotxrd.cpp:35 #, fuzzy #| msgid "Plot Theoretical XRD Pattern..." msgid "Plot Theoretical XRD Pattern…" msgstr "Desegni Teorian Formon de Iksradia Difrakto…" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "Malsukcesis generado de teoria formo de ikradia difrakto" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "Malsukcesis konverti molekulon al dosierformo CIF." #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Datenoj legitaj el genXrdPattern ŝajnas koruptitaj!" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "Eraro: ne troviĝis ruleblaĵo genXrdPattern!" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "Eraro: " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Generi kaj desegni teorian formon de iksradia difrakto per ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "Ĝisdatigi" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "Versio" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "Priskribo" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Elŝutante %1 al %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Maldensigante %1 al %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "Finiĝis traktado de %1 dosieroj\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "Maldensigo sukcesis\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "Eraro dum maldensigado: %1" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 #, fuzzy #| msgid "Download Plugins" msgid "Download Plugins…" msgstr "Elŝuti kromprogramojn…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Elŝuti kromprogramojn" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Elŝuti kromprogramojn el GitHub-deponejoj." #: qtplugins/ply/ply.cpp:29 #, fuzzy #| msgid "VRML Render" msgid "PLY Render…" msgstr "PLY-Bildigo…" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "Konservi Dosieron" #: qtplugins/ply/ply.cpp:71 #, fuzzy #| msgid "VRML (*.wrl);;Text file (*.txt)" msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Teksta dosiero (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 #, fuzzy #| msgid "Render the scene using VRML." msgid "Render the scene using PLY." msgstr "Bildigi ĉi tiun scenon per PLY." #: qtplugins/povray/povray.cpp:29 #, fuzzy #| msgid "POV-Ray Render" msgid "POV-Ray Render…" msgstr "Bildigi per POV-Ray…" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Teksta dosiero (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Bildigi la scenon per POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "Formala Ŝargo" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "Koloro" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Atomo" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Tipo" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "Komenca atomo" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "Fina atomo" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "Liga Ordo" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Longo (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 #, fuzzy msgid "Chain" msgstr "Ĉenoj" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Atomo 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Vertico" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Atomo 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Angulo (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Atomo 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Atomo 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "Atributoj de Atomo…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "Atributoj de Ligo…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Atributoj de Angulo…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy #| msgid "Torsion Properties" msgid "Torsion Properties…" msgstr "Atributoj de Tordo…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" "Tabeloj por montri kaj redakti atributojn pri atomo, ligo, angulo kaj tordo." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "Tabeloj de atributoj" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Atributoj de Atomo" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Atributoj de Ligo" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Atributoj de Angulo" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Atributoj de Tordo" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Atributoj de Formizomero" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Montri primitivaĵojn laŭ QTAIM-atributoj" #: qtplugins/qtaim/qtaimextension.cpp:41 #, fuzzy #| msgid "Molecular Graph..." msgid "Molecular Graph…" msgstr "Molekula Grafo…" #: qtplugins/qtaim/qtaimextension.cpp:48 #, fuzzy #| msgid "Molecular Graph with Lone Pairs..." msgid "Molecular Graph with Lone Pairs…" msgstr "Molekula Grafo kun Solaj Paroj…" #: qtplugins/qtaim/qtaimextension.cpp:55 #, fuzzy #| msgid "Atomic Charge..." msgid "Atomic Charge…" msgstr "Atoma Ŝargo…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Malfermi WFN-Dosieron" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN-dosieroj (*.wfn);;Ĉiuj dosieroj (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM-etendaĵo" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "Kvantuma enigo" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "Generi enigon por kvantumaj kodoj." #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "Centrigi" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "Rektigi Vidon laŭ Aksoj" #: qtplugins/resetview/resetview.cpp:52 #, fuzzy #| msgid "Align View to Axes" msgid "Align view to axes." msgstr "Rektigi Vidon laŭ Aksoj" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Restarigi vidon" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Manipuli la kameraon de la vido." #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "Dosierformoj de Programetoj" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "Ŝargi dosierlegilojn/dosierskribilojn el eksteraj programetoj." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Elekti Ĉion" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Elekti Nenion" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Inversigi Elekton" #: qtplugins/select/select.cpp:53 #, fuzzy #| msgid "Select by Element..." msgid "Select by Element…" msgstr "Elekti laŭ Elemento…" #: qtplugins/select/select.cpp:58 #, fuzzy #| msgid "Select by Atom Index..." msgid "Select by Atom Index…" msgstr "Elekti laŭ Atoma Indico…" #: qtplugins/select/select.cpp:63 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Residue…" msgstr "Elekti laŭ restaĵo…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Ŝanĝi elektojn" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "Elekti (&S)" #: qtplugins/select/select.cpp:180 #, fuzzy #| msgid "Select by Element..." msgid "Select Element" msgstr "Elekti Elemento" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Elekti Atomojn laŭ Indico" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Elektotaj Atomoj:" #: qtplugins/select/select.cpp:446 #, fuzzy #| msgid "Select All" msgid "Select Atom" msgstr "Elekti Atom" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Elekti atomojn laŭ restaĵo" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Elektotaj restaĵoj:" #: qtplugins/select/select.cpp:491 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" msgstr "Elekti restaĵo" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "Elekti" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Elektitaĵo" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Elekta ilo" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 #, fuzzy #| msgid "Layer" msgid "New Layer" msgstr "Nova Tavolo" #: qtplugins/spacegroup/spacegroup.cpp:50 #, fuzzy #| msgid "Perceive Space Group" msgid "Perceive Space Group…" msgstr "Trovi Spacgrupon" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "Simetriigi" #: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Plenigi Unitan Ĉelon…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "Redukti al Nesimetria Unito" #: qtplugins/spacegroup/spacegroup.cpp:84 #, fuzzy #| msgid "Set Tolerance" msgid "Set Tolerance…" msgstr "Agordi Toleron…" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "Spacgrupo" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "Malsukceso" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Trovado de spacgrupo malsukcesis.\n" "Ĉu reprovi laŭ alia tolero?" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "Primitiva Redukto" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "La tolero estas aktuale: %1.\n" "Ĉu daŭrigi laŭ tiu tolero?" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Primitiva redukto malsukcesis.\n" "Bonvolu kontroli vian kristalon kaj reprovi laŭ alia tolero." #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Malsukcesis konvenciigo de ĉelo.\n" "Bonvolu kontroli vian kristalon kaj reprovi je alia tolero." #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Simetriigo malsukcesis.\n" "Bonvolu kontroli vian kristalon kaj reprovi laŭ alia tolero." #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "Elektu toleron en Å:" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "Internacia" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "Elekti Spacgrupon" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "Spacgrupo" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "Funkcioj pri spacgrupoj de kristaloj." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:38 #, fuzzy #| msgid "Display spectra and vibrational modes." msgid "Display spectra plots." msgstr "Montru spektrojn." #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:446 #, fuzzy #| msgid "electron" msgid "Electronic" msgstr "elektrona" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 #, fuzzy #| msgid "Energy" msgid "Energy (eV)" msgstr "Energio" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "Denso" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Simetrio" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Molekula Orbito" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Elektrona Denso" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(Plejalta okupata MO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(Malplejalta neokupata MO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "El Dosiero" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Create Surfaces" msgid "Create Surfaces…" msgstr "Krei Surfacojn…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 #, fuzzy #| msgid "Molecular Orbital" msgid "Render a molecular orbital." msgstr "Montri Molekula Orbito." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "Kalkulante elektronan denson" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Kalkulante molekulan orbiton %L1" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "AVI-Filmeto (*.avi)" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "Eksporti Filmeton" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "MP4-Filmeto (*.mp4);;AVI-Filmeto (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Surfacoj" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Legi kaj montri surfacojn." #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Bildigi ĉi tiun scenon en SVG-dosieron." #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "Klaso" #: qtplugins/symmetry/symmetry.cpp:41 #, fuzzy #| msgid "Symmetry" msgid "Symmetry…" msgstr "Simetrio…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Provizi funkciojn pri simetrio." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Bildigi simetriajn elementojn." #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "Grupo %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Simpla montro de sferoj de Van der Waals." #: qtplugins/vibrations/vibrations.cpp:27 #, fuzzy #| msgid "Vibrational Modes" msgid "Vibrational Modes…" msgstr "Vibraj Modoj…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibrational Modes" msgid "Vibrations" msgstr "Vibraj" #: qtplugins/vibrations/vibrations.h:37 #, fuzzy #| msgid "Display spectra and vibrational modes." msgid "Display vibrational modes." msgstr "Montru vibrajn modojn." #: qtplugins/vrml/vrml.cpp:29 #, fuzzy #| msgid "VRML Render" msgid "VRML Render…" msgstr "VRML-Bildigo…" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Teksta dosiero (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Bildigi ĉi tiun scenon per VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Montri molekulon kiel dratan kadron." #: qtplugins/yaehmop/yaehmop.cpp:90 #, fuzzy #| msgid "Calculate band structure..." msgid "Calculate Band Structure…" msgstr "Kalkuli bendostrukturon…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "Malsukcesis kalkuli bendostrukturon: mankas unita ĉelo!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, fuzzy, qt-format #| msgid "Yaehmop execution failed with the following error:\n" msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "Yaehmop kolapsis pro la jena eraro:\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "Malsukcesis legi eligaĵon pri bendostrukturo el Yaehmop!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "Nur unu speciala k-punkto troviĝis en la eligo de Yaehmop! Du aŭ pli estas " "bezonataj!" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, fuzzy, qt-format #| msgid "Script failed to start." msgid "Error: %1 failed to start" msgstr "Malsukcesis lanĉo %1" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "Enigo de Yaehmop" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Fari etenditajn Hückel-kalkulojn per Yaehmop." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dialogo" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Formularo" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Agordoj pri Kalkulado" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) #, fuzzy #| msgid "Placeholder text..." msgid "Placeholder text…" msgstr "Lokokupa teksto…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Restarigi" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) #, fuzzy #| msgid "Debug script..." msgid "Debug Script…" msgstr "Sencimigi programeton…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #, fuzzy #| msgid "Submit Calculation..." msgid "Submit Calculation…" msgstr "Submeti Kalkulon…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save Input…" msgstr "Konservi Enigan Dosieron…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Taskovico kaj Programo:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "Reŝargi" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" "

      Nombro de procesorkernoj rezervotaj por ĉi tiu tasko." #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Procesorkernoj:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" "

      Forigi forajn labordosierojn post taskofino. Rezultoj " "ankoraŭ estos kopiitaj unue al la loka taskostaplo de MoleQueue.

      " #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Forigi forajn dosierojn post fino:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" "

      Ŝaltu tion, se vi volas apriore kaŝi ĉi tiun taskon en " "grafika fasado de MoleQueue.

      " #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Kaŝi taskon en MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" "

      Montri sisteman ŝprucfenestran sciigon kiam ŝanĝiĝas " "la stato de la tasko.

      " #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Montri sciigojn pri progreso:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Malfermi eligon post fino:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Alinomi Elementojn" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "Enmeti Fragmenton…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filtri:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "Tajpu nomon aŭ parton de nomo por montri nur kongruajn dosierojn." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Enmeti" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "HTML-Kodaĵo por 3DMol" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "Kopii en Tondujon (&C)" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Stir+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Struktura Eniga Dosiero" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Generi Enigon per PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB-Dosiero:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "…" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Fortokampo:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Ruli PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Ŝargi Ekzistantan PQR-Dosieron" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR-Dosiero:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "Eniga Dosiero de APBS" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Konservi Enigan Dosieron" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Ruli APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Sukceso!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Ŝargi Strukturan Dosieron" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Ŝargi Kuban Dosieron" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial Charge" msgid "Partial Charges" msgstr "Parta Ŝargo" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Distanca Tolero:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Minimuma Distanco:" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "Volumena Bildigo" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "Kubo" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "Ŝalti volumenan bildigon" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "Ŝalti surfacan bildigon" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "Izovaloro" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Koordinato-Redaktilo" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Antaŭagordo:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Mezurunuo de Distanco:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Anstromo" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr-radiuso" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Aranĝo:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) #, fuzzy #| msgid "" #| "

      Specification of format. Each character indicates a " #| "value to write per atom:

      # " #| "- Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" " #| "for carbon)
      N - Element name " #| "(e.g. \"Carbon\")
      S - " #| "Element symbol (e.g. \"C\" for carbon)
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate (crystals only)
      b - 'b' lattice coordinate (crystals only)
      c - 'c' lattice coordinate " #| "(crystals only)
      _ - A " #| "literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for optimization " #| "flags
      1 - A literal 1 " #| "(\"1\"), useful for optimization flags

      " msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" "

      Specifo de dosierformo. Ĉiu signo indikas valoron " "skribendan por ĉiu atomo:

      # - " "Atoma indico (1, 2, ..., numAtoms)
      Z - Atomnumero (ekz. \"6\" por karbonon)
      G - Atomnumero laŭ GAMESS (ekz. \"6.0\" por " "karbono )
      N - Elementa nomo " "(ekz. \"Karbono\")
      S - Elementa " "simbolo (ekz. \"C\" por karbono)
      x - Pozicia X-koordinato
      y " "- Pozicia Y-koordinato
      z - " "Pozicia Z-koordinato
      a - krada " "'a'-koordinato (nur por kristaloj)
      b - krada 'b'-koordinato (nur por kristaloj)
      c - krada 'c'-koordinato (nur por kristaloj)
      _ - Spaceto (\" \"), utila por rektigo
      0 - Cifero 0 (\"0\"), utila por " "optimumigaj opcioj
      1 - Cifero 1 " "(\"1\"), utila por optimumigaj opcioj

      " #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Alglui" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Malfari" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Apliki" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2K-Enigo" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Restarigi Ĉion" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Aprioroj" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy #| msgid "Save File" msgid "Save File…" msgstr "Konservi Dosieron…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Baza Agordo" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Titolo:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "Dosiernoma Bazo:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "tasko" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Kalkuli:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Metodo:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Baza aro:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Funkcionalo" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Emax Spline Spin" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Tipo de Poisson EWALD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Alfa de Poisson EWALD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) #, fuzzy #| msgid "Poiosson EWALD GMAX" msgid "Poisson EWALD GMAX" msgstr "GMAX de Poisson EWALD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "TRUE" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "OUTER EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" "Dosiera etendaĵo por konverti al OpenBabel (apriore - Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Parametroj pri Superĉelo" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opcioj pri Superĉelo" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A-ripeto:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B-ripeto:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C-ripeto:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "Redaktilo de Unita Ĉelo" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Ĉela Matrico:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Frakcia Matrico:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "&Transformi Atomojn" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Apliki" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "Malfa&ri" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "Kaŝi (&H)" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Ŝanĝi Volumenon de Unita Ĉelo" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "Nova &Volumeno:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Skala Faktoro:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Aktuala Volumeno:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Teksta Etikedo" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Liga Ordo:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Parametroj pri Geometria Optimumigo" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Kriterioj pri Konverĝo" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy #| msgid "\"Energy\" convergence:" msgid "Energy convergence:" msgstr "Energia konverĝo:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Limo de paŝoj:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " unuoj" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " paŝoj" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Optimumiga Metodo" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Fortokampo:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Aŭtomate trovi" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS-Enigo" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "En:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Oblo:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Kun:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Ŝargo:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) #, fuzzy #| msgid "Import From PQR" msgid "Import From PQR…" msgstr "Importi el PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Serĉi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nomo" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "etikedo" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "sinonimo" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "formulo" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "InChI" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Serĉi laŭ: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Formulo:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Elŝuti" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Nomo:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other..." msgid "Other" msgstr "Alia" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Unuobla" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Duobla" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPS-Enigo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Komentoj de eniga dosiero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Elektu la stilon de mezurunuoj uzotaj dum la simulado." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Mezurunuoj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "Lennard-Jones" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "reala" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metala" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "SI" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "CGS" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elektrona" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Akva Potencialo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Elekti atoman stilon uzita de la datendosiero." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Atoma Stilo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "angulo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atoma" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "ligo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "ŝargo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dupoluso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "elipsoido" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "plena" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "linio" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "mezoskala" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molekula" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "pridinamika" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "sfero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "ondopaketo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Specifu la nomon uzotan por la koordinata dosiero." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Koordinata Datendosiero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Ensemblo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperaturo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Elektu la nombron de Nosé-Hoover-ĉenoj en la NVT-ensemblo." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "NH-Ĉenoj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Tempopaŝo por la simulado en mezurunuoj laŭ la specifo de \"Mezurunuoj\"." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Tempopaŝo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Dosiernomo de la XYZ-dosiero skribota dum la simulado." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Deponi XYZ-dosieron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Nombro de dimensioj en la sistemo." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensioj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Ŝanĝi stilon de Z-limo." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "fm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Ŝanĝi stilon de Y-limo." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Ŝanĝi stilon de X-limo." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) #, fuzzy #| msgid "Select bondary Styles in X, Y and Z directions." msgid "Select boundary Styles in X, Y and Z directions." msgstr "Elekti stilojn de la limoj laŭ X-, Y-, kaj Z-direktoj." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Limo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Nombro de replikaĵoj en la X-, Y-, kaj Z-direktoj." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Repliki" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Repliki la X-direkton." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Repliki la Y-direkton." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Repliki la Z-direkton." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Totala nombro de tempopaŝoj por la simulado." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Totala Nombro de Paŝoj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Deponi Intervalon" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Agordi la komencajn atomajn rapidojn por la simulado." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Komencaj Rapidoj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Elekti la distribuon de komencaj atomaj rapidoj." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaŭsa" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "unuforma" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "Agordi la komencajn atomajn rapidojn laŭ ĉi tiu temperaturo." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Subtrahi de komencaj rapidoj sisteman movokvanton." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Nul Movokvanto" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Subtrahi de komencaj rapidoj sisteman momanton de movokvanto." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Nul Momanto de Movokvanto" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Regi la termodinamikan eligon dum la simulado." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Eligo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Intervalo de Eligo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Stilo de termodinamika eligo." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Unu Linio" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Pluraj Linioj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Uzi Formularon" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy #| msgid "Generate..." msgid "Generate…" msgstr "Generi…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Priskribo:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) #, fuzzy #| msgid "Method:" msgid "Method" msgstr "Metodo" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy #| msgid "\"Energy\" convergence:" msgid "Convergence:" msgstr "Konverĝo:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Optimumiga algoritmo:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Tekniko de linia serĉado:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Plej Kruta Malsupreniro" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "Konjuga Gradiento" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Simpla" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Neŭtona Metodo" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "Limigi Neligajn Interagojn" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "Trunkiga distanco de Van der Waals:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Ofteco de para ĝisdatigo:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "Elektrostatika trunkiga distanco:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "Å" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "\"Energia\" konverĝo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "Konstruilo de OpenMM-Programetoj" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Taska programeto:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "programeto" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Enigaj Koordinatoj:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Eniga Topologio:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Fortokampo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Akva Modelo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Implicita Solvanto (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Platformo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Referenco" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "Ĉefprocesoro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Precizo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "unuobla" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "miksita" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "duobla" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Aparata Indico:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "OpenCL-Platforma Indico:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "Neliga metodo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "Neniu Trunkigo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "Neperioda Trunkigo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "Perioda Trunkigo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Ewald-Tolero:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Limigoj:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "HLigoj" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "ĈiujLigoj" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "HAnguloj" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "Tolero de Limigo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "Rigida akvo?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "Malvera" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "Neliga trunkigo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr " nm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Hazarda komenca rapido:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Genera Temperaturo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrilo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Brown-a" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "Varia Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "Varia Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "Tempopaŝo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr " fs" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Tolero de Eraro:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Ofteco de kolizioj:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "/ps" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Temperaturo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Premkonstantigilo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Montekarla" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Premo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr " atm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Intervalo de Premkonstantigado" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Raportantoj:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "Stata Dateno" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Raporti Intervalon:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) #, fuzzy #| msgid "Equilibriation Steps:" msgid "Equilibration Steps:" msgstr "Paŝoj de Ekvilibrigo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Paŝoj de Produktado:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Ĉu minimumigi?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Maksimuma nombro de paŝoj por minimumigo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "Opcioj pri Stata Dateno:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Paŝa Indico" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Tempo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Rapido" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Progreso" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Potenciala Energio" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Kineta Energio" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Totala Energio" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "Volumeno" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "Opcioj pri PDF-Desegno" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Maksimuma Radiuso:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Paŝo (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Opcioj pri Teoria Iksradia Difrakto" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" "

      La plilarĝiĝo de la pinto ĉe la bazo (en gradoj).

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" "

      La maksimuma valoro de 2θ en gradoj.

      Aprioro: " "162,00°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" "

      La plilarĝiĝo de la pintoj ĉe la bazo en gradoj.

      Aprioro: 0,52958°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Nombro de punktoj:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Larĝo de pinto:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Ondolongo:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" "

      La iksradia ondolongo en anstromoj.

      Aprioro: " "1,50560 Å

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" "

      La nombro de generotaj 2θ-punktoj.

      Aprioro: " "1000

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "Maksimuma 2θ:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Elŝuti Elektitaĵon" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Radiuso de Krita Punkto:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Radiuso de Liga Vojo:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Kovalenta" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Konstanta Grando" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Apliki Koloron" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy #| msgid "&Scaling Factor:" msgid "Scale Factor:" msgstr "Skala Faktoro:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Peak width:" msgid "Peak Width:" msgstr "Larĝo de pinto:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) #, fuzzy #| msgid "&Import" msgid "&Import..." msgstr "&Importi..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) #, fuzzy #| msgid "&Export" msgid "&Export..." msgstr "&Eksporti..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy #| msgid "10^" msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) #, fuzzy #| msgid "&Export" msgid "Export Data" msgstr "Eksporti datumojn" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) #, fuzzy #| msgid "Close" msgid "&Close" msgstr "Fermi" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Malgrandega" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Malgranda" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Meza" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Granda" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Grandega" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Krei Surfacojn" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Surfaco:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alfa" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Kolorigi laŭ:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Distingivo:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Izosurfaca Valoro:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " K" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Kalkuli" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekulo" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Simetrie ekvivalentaj atomoj:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Ŝlosi Simetrion" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operacioj" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Simetriaj elementoj:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Subgrupoj" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Subgrupoj:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolero:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Strikta" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normala" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Malstrikta" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Malstriktega" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Trovi Simetrion" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) #, fuzzy #| msgid "Center" msgid "Centers" msgstr "Centrigi" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) #, fuzzy #| msgid "Formal Charge" msgid "Formal Charge:" msgstr "Formala Ŝargo:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "Tipo:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy #| msgid "Group %1" msgid "Groups" msgstr "Grupoj" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Group %1" msgid "Group:" msgstr "Grupo:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Vibraj Modoj" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitudo:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "Ekmovi" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "Haltigi Moviĝon" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Bendo de Yaehmop" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Minimuma y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" "

      La Fermi-nivelo estu konata antaŭ ol elekti ĉi tiun " "elektobutonon. Vi povas trovi la Fermi-nivelon kalkulante la statodenson kaj " "montrante la datenojn (ĝi estos supre de la datenoj). Krome, se la " "statodenso kalkuliĝos, la Fermi-nivelo ĉi tie aŭtomate agordiĝos al tiu, kiu " "estis trovita dum la kalkulo de la statodenso.

      Se ĉi tiu elektobutonon " "estas elektita, certigu, ke la ĝusta Fermi-nivelo estas starigita en la " "dekstra kampo.

      Implicite: malŝaltita

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "Ĉu montri Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" "

      Ĉu mezuri energiojn relative al la Fermi? Nur havebla, " "se la Fermi-nivelo estas montrota.


      Implicite: ne

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "Ĉu nulo ĉe Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Num k-points connecting special k-points:" msgid "# of k-points connecting special k-points:" msgstr "Nombro de k-punktoj ligantaj specialajn k-punktojn:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Specialaj k-punktoj" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Maksimuma y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "

      La Fermi-Nivelo

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" "

      Tajpu specialajn k-punktojn jene:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      T.e. ‹simbolo› ‹x› ‹y› ‹z› en " "kiu x, y, kaj z estas fractional reciprocal space coordinates. Linioj " "desegniĝos konektante ĉi tiujn k-punktojn sur la grafo laŭ la ordo, laŭ kiu " "vi metis ilin. Bonvolu noti, ke la orientiĝo de via ĉelo povas efiki sur la " "lokojn de ĉi tiuj reciprokspacaj punktoj.

      Se la spacgrupo de la " "kristalo estis trovita aŭ starigita, la specialaj k-punktoj aŭtomate " "pleniĝos per la altsimetriaj punktoj de la primitiva ĉelo por tiu spacgrupo. " "Ekzistas kelkaj spacgrupoj kun malsamaj altsimetriaj punktoj depende de la " "krado (ekz. se a > b aŭ a < b) — tio estas aŭtomate konsiderata.

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) #, fuzzy #| msgid "" #| "\n" #| "\n" #| "

      GM 0.0 0.0 0.0

      " msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" "

      Tajpu la nombron da k-punktoj, kiuj ligos la " "specialajn k-punktojn. Pli da ĉi tiuj k-punktoj glatigos la grafikon, sed la " "kalkulo eble daŭros pli longe.

      Implicite: 40

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" "

      Ĉu limigi la valorojn de y en la montraĵo?

      Implicite: ne

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "Ĉu limigi y?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" "

      La nombro de periodaj dimensioj.


      Se " "ĝi estos 1, la materio estos perioda laŭ la A-vektoro de la kristalo.


      Se ĝi estos 2, la materio estos perioda laŭ la A- kaj B-" "vektoroj de la kristalo.


      Se ĝi estos 3, la materio estos " "perioda laŭ la A-, B-, kaj C-vektoroj de la kristalo.


      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Num Dimensions:" msgid "Number of Dimensions:" msgstr "Nombro de Dimensioj:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "Ĉu montri enigon de Yaehmop?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "phlostically" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "phlostically@example.com" #, fuzzy #~| msgid " eV" #~ msgid "eV" #~ msgstr " eV" #, fuzzy #~| msgid " eV" #~ msgid "eV)" #~ msgstr " eV" #~ msgid "Partial Charge" #~ msgstr "Parta Ŝargo" #, fuzzy #~| msgid "Stop Animation" #~ msgid "Animation Tool" #~ msgstr "Haltigi Moviĝon" #, fuzzy #~| msgid "Van der Waals (AO)" #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals (ĉirkaŭa lumbaro)" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "Simpla montrado de sferoj de Van der Waals per ĉirkaŭa lumbaro." #, fuzzy #~| msgid "Optimize Geometry" #~ msgid "Geometry" #~ msgstr "Optimumigi Geometrion" #~ msgid "Add Unit Cell" #~ msgstr "Aldoni Unitan Ĉelon" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Elekti laŭ Atoma Indico…" #, fuzzy #~ msgid "By Distance" #~ msgstr "Distanco:" #, fuzzy #~| msgid "Select by Atom Index..." #~ msgid "Select Water…" #~ msgstr "Elekti laŭ Atoma Indico…" #, fuzzy #~| msgid "Copy" #~ msgid "&Copy" #~ msgstr "Kopii" #, fuzzy #~| msgid "Molecule" #~ msgid "Molecule Name:" #~ msgstr "Molekulo" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molekulmaso (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Kemia Formulo:" #~ msgid "Number of Atoms:" #~ msgstr "Nombro de Atomoj:" #~ msgid "Number of Bonds:" #~ msgstr "Nombro de Ligoj:" #~ msgid "TODO" #~ msgstr "FAROTA" #, fuzzy #~ msgid "Line Size:" #~ msgstr "Larĝo de pinto:" #, fuzzy #~| msgid "Optimize Geometry" #~ msgid "Optimize" #~ msgstr "Optimumigi Geometrion" #, fuzzy #~ msgid "In." #~ msgstr "En:" #~ msgid "ABPS Input (*.in)" #~ msgstr "APBS-Enigo (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "Elektu la Python-interpretilon por lanĉi enigo-generajn programetojn.\n" #~ "Avogadro devas restarti por efektivigi ŝanĝojn." #, fuzzy #~| msgid "Set Python Path..." #~ msgid "Set Python Path…" #~ msgstr "Agordi Dosierindikon al Python…" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragmento…" #, fuzzy #~| msgid "Functional" #~ msgid "Functional Groups" #~ msgstr "Funkcionalo" #~ msgid "Help..." #~ msgstr "Helpo…" #~ msgid "Submit Calculation..." #~ msgstr "Submeti Kalkulon…" #~ msgid "Save File..." #~ msgstr "Konservi Dosieron…" #~ msgid "Download Plugins..." #~ msgstr "Elŝuti kromprogramojn…" #~ msgid "Record Movie..." #~ msgstr "Registri Filmeton…" #, fuzzy #~| msgid "Other..." #~ msgid "Other..." #~ msgstr "Alia…" #~ msgid "Client server operations." #~ msgstr "Klientaj servilaj operacioj." #~ msgid "S&erver" #~ msgstr "S&ervilo" #~ msgid "Connection failed" #~ msgstr "Konekto malsukcesis" #, qt-format #~ msgid "The connection to %2:%3 failed: connection refused." #~ msgstr "Malsukcesis la konekto al %2:%3: konekto rifuzita." #~ msgid "Remote service error" #~ msgstr "Eraro pri fora servo" #, qt-format #~ msgid "Connection failed with: %1" #~ msgstr "Konekto malsukcesis pro jena eraro: %1" #, qt-format #~ msgid "clientServer/%1:%2/lastOpenDir" #~ msgstr "clientServer/%1:%2/lastOpenDir" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*.%1" #~ msgid "Client server" #~ msgstr "Klienta servilo" #~ msgid "Connection refused" #~ msgstr "Konekto rifuzita" #, qt-format #~ msgid "Connection to %2:%3 succeeded!" #~ msgstr "Sukcesis konekto al %2:%3!" #~ msgid "Filename" #~ msgstr "Dosiernomo" #~ msgid "Formula" #~ msgstr "Formulo" #~ msgid "InChIKey" #~ msgstr "InChIKey" #~ msgid "&MongoChem" #~ msgstr "&MongoChem" #~ msgid "Mongo Chem Server" #~ msgstr "MongoChem-Servilo" #~ msgid "Interface with Mongo Chem Server." #~ msgstr "Interfaco al MongoChem-Servilo." #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Ŝargi Strukturan Dosieron" #~ msgid "&Hostname:" #~ msgstr "Servilonomo (&H):" #~ msgid "Port" #~ msgstr "Pordo" #~ msgid "Test C&onnection..." #~ msgstr "Testi K&onekton…" #~ msgid "Look in:" #~ msgstr "Serĉi en:" #~ msgid "Navigate Back" #~ msgstr "Navigi Malantaŭen" #~ msgid "Navigate Forward" #~ msgstr "Navigi Antaŭen" #~ msgid "Navigate Up" #~ msgstr "Navigi Supren" #~ msgid "File name:" #~ msgstr "Dosiernomo:" #~ msgid "OK" #~ msgstr "Bone" #~ msgid "Files of type:" #~ msgstr "Dosierformo:" #~ msgid "Cancel" #~ msgstr "Nuligi" #~ msgid "MongoChem Config" #~ msgstr "Agordo de MongoChem" #~ msgid "http://localhost:8080/api/v1" #~ msgstr "http://localhost:8080/api/v1" #~ msgid "API Key:" #~ msgstr "API-Ŝlosilo:" #~ msgid "Base URL:" #~ msgstr "Baza retadreso:" #~ msgid "Config" #~ msgstr "Agordo" #~ msgid "Upload" #~ msgstr "Alŝuti" #~ msgid "Docker" #~ msgstr "Docker" #~ msgid "Singularity" #~ msgstr "Singularity" #~ msgid "Container:" #~ msgstr "Ujo:" #~ msgid "Image:" #~ msgstr "Diskokopio:" #~ msgid "openchemistry/psi4:latest" #~ msgstr "openchemistry/psi4:latest" #~ msgid "" #~ "\n" #~ "\n" #~ "

      {

      \n" #~ "

      \"theory\": \"dft\",

      \n" #~ "

      \"functional\": \"b3lyp\",

      \n" #~ "

      \"basis\": \"6-31g\",

      \n" #~ "

      \"task\": \"energy\"

      \n" #~ "

      }

      " #~ msgstr "" #~ "\n" #~ "\n" #~ "

      {

      \n" #~ "

      \"theory\": \"dft\",

      \n" #~ "

      \"functional\": \"b3lyp\",

      \n" #~ "

      \"basis\": \"6-31g\",

      \n" #~ "

      \"task\": \"energy\"

      \n" #~ "

      }

      " #~ msgid "Input Parameters:" #~ msgstr "Enigaj Parametroj:" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Nomo de elemento." #~ msgid "'c' coordinate." #~ msgstr "Krada koordinato 'c'." #~ msgid "Error: could not find yaehmop executable!" #~ msgstr "Eraro: ne troviĝis ruleblaĵo Yaehmop!" #, fuzzy #~| msgid "Dihedral:" #~ msgid "octahedral" #~ msgstr "Duedra:" #~ msgid "Layer" #~ msgstr "Tavolo" #, fuzzy #~| msgid "Insert Molecule..." #~ msgid "Insert Molecule..." #~ msgstr "Enmeti Molekulon…" #, fuzzy #~| msgid "Generating 3D molecule..." #~ msgid "Generating 3D molecule..." #~ msgstr "Generante 3D-molekulon…" #, qt-format #~ msgid "%1: File exists and is not writable." #~ msgstr "%1: Dosiero ekzistas kaj ne estas surskribebla." #, fuzzy #~ msgid "Simple display of Cartoons family." #~ msgstr "Simpla montro de sferoj de Van der Waals." #~ msgid "Error interpreting obabel CML output." #~ msgstr "Eraro pri interpretado de CML-eligo de OpenBabel." #~ msgid "Error generating CML data." #~ msgstr "Eraro pri generado de CML-datenoj." #, fuzzy #~ msgid "Run APBS..." #~ msgstr "Ruli APBS" #, fuzzy #~ msgid "Open Output File..." #~ msgstr "Malfermi Eligan Dosieron" #~ msgid "Edit Unit Cell..." #~ msgstr "Redakti Unitan Ĉelon…" #~ msgid "&Import From PQR" #~ msgstr "&Importi el PQR" #~ msgid "Crystal..." #~ msgstr "Kristalo…" #, fuzzy #~ msgid "Write" #~ msgstr "skribi" #~ msgid "SMILES..." #~ msgstr "SMILES…" #~ msgid "InChI..." #~ msgstr "InChI…" #~ msgid "Add Hydrogens for pH..." #~ msgstr "Aldoni Hidrogenojn por pH…" #, fuzzy #~ msgid "Atom Properties..." #~ msgstr "Atributoj de Atomo" #, fuzzy #~ msgid "Bond Properties..." #~ msgstr "Atributoj de Ligo" #, fuzzy #~ msgid "Angle Properties..." #~ msgstr "Atributoj de Angulo" #, fuzzy #~ msgid "Torsion Properties..." #~ msgstr "Atributoj de Tordo" #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Detaloj pri Simetrio…" #~ msgid "Create Surfaces..." #~ msgstr "Krei Surfacojn…" #~ msgid "Symmetry..." #~ msgstr "Simetrio…" #~ msgid "&Exit" #~ msgstr "&Eliri" #~ msgid "Ctrl+E" #~ msgstr "Stir+E" #~ msgid "Insert Fragment..." #~ msgstr "Enmeti Fragmenton…" #~ msgid "Option '%1' not found in userOptions." #~ msgstr "Opcio '%1' ne troviĝas en 'userOptions'." #~ msgid "" #~ "'userOptions' missing, or not an object:\n" #~ "%1" #~ msgstr "" #~ "'userOptions' mankas aŭ ne estas objekto:\n" #~ "%1" #~ msgid "Theory:" #~ msgstr "Teorio:" #~ msgid "Default value missing for option '%1'." #~ msgstr "Apriora valoro mankas pri opcio '%1'." #~ msgid "Distance: %L1 Å" #~ msgstr "Distanco: %L1 Å" #~ msgid "Rotatable" #~ msgstr "Turnebla" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Formizomero %1\n" #~ "Longo %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Formizomero %1\n" #~ "Angulo %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angulo %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Formizomero %1\n" #~ "Tordo %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Tordo %1" #~ msgid "Torsion" #~ msgstr "Tordo" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energio (kJ/mol)" #~ msgid "Yes" #~ msgstr "Jes" #~ msgid "No" #~ msgstr "Ne" #~ msgid "Reset to Default Values" #~ msgstr "Restarigi Apriorajn Valorojn" #~ msgid "Write files to disk..." #~ msgstr "Skribi dosierojn sur diskon…" #~ msgid "&Quantum" #~ msgstr "Kvantuma (&Q)" #~ msgid "Input Generators" #~ msgstr "Enigo-Generiloj" #~ msgid "Import" #~ msgstr "Importi" #~ msgid "Insert SMILES" #~ msgstr "Enmeti SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Enmeti SMILES-fragmenton:" #~ msgid "Insert Crystal" #~ msgstr "Enmeti Kristalon" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Enmeti molekulajn fragmentojn por konstrui pli grandajn molekulojn" #~ msgid "Plugin Downloader" #~ msgstr "Kromprogramo-Elŝutilo" #~ msgid "E&xtensions" #~ msgstr "Etendaĵoj (&X)" avogadrolibs-1.100.0/i18n/es.po000066400000000000000000013564451474375334400161130ustar00rootroot00000000000000# Spanish translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # M3CG , 2021, 2022. # J. Lavoie , 2021. # Aritz Erkiaga , 2022. # Andrés Henao , 2022, 2023. # gallegonovato , 2022, 2023, 2024. # William , 2022. # Alejandro Díaz-Moscoso , 2023. # Weblate Translation Memory , 2025. # Saúl Palacios , 2025. # LibreTranslate , 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-03 14:11+0000\n" "Last-Translator: LibreTranslate \n" "Language-Team: Spanish \n" "Language: es\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Lote de Tareas número %L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Mensaje no especificado." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "La salida de la secuencia de comandos «opciones de impresión» debe contener " "un objeto JSON como elemento raíz. Recibido:\n" "%1" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "Se devolvió un aviso que no es una cadena de texto." #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "Parte de «warnings» no es una matriz." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "El archivo de referencia %1 no existe." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "Error al poblar el archivo %1: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "El archivo «%1» se encuentra mal formado. Faltan partes de las cadenas de " "texto «contents» o «filePath»." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Entrada de archivo mal formada: falta nombre de archivo o contenido, o estos " "no son cadenas de texto:\n" "%1" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Entrada de archivo mal formada en índice %1: No es un objeto." #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "Parte de «files» no es una matriz." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "Falta una parte de «files»." #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "Una parte de «mainFile» no hace referencia a una entrada en «files»." #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "Parte de «mainFile» debe ser una cadena de texto." #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "La respuesta debe contener un objeto JSON como elemento raíz." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Salida de la secuencia de comandos:\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Error de análisis en posición %L1: «%2»\n" "JSON en bruto:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Error al guardar representación de molécula como cadena de texto: Formato de " "archivo no reconocido: %1" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Error al guardar representación de molécula como cadena de texto: %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Error al generar objeto cjson: Error de análisis en posición %1: %2\n" "JSON en bruto:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Error al generar objeto cjson: El JSON analizado no es un objeto:\n" "%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "Generador de Entrada (error)" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "Generador de Entrada %1" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Continuar" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Cerrar" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Desconocido" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "El siguiente archivo ha sido modificado:\n" "\n" "%1\n" "\n" "¿Desea sobrescribir los cambios para reflejar la nueva geometría u opciones " "de tarea?" msgstr[1] "" "Los siguientes archivos han sido modificados:\n" "\n" "%1\n" "\n" "¿Desea sobrescribir los cambios para reflejar la nueva geometría u opciones " "de tarea?" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "¿Sobrescribir archivos de entrada modificados?" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "Problema durante la generación de entradas:" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "¡No hay archivos de entrada que guardar!" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "No se pudo conectar con MoleQueue" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "No se pudo conectar con el servidor MoleQueue. Por favor asegúrese de que se " "está ejecutando e intentelo de nuevo." #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "Enviar Cálculo %1" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "Tarea Fallida" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "La tarea no se completó con éxito." #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "La secuencia de comandos devuelve avisos:\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "Ocultar &Avisos" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "Mostrar &Avisos" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "Se ha producido un error:" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "Seleccione nombre de archivo de salida" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" "Error interno: no se pudo encontrar una aplicación de texto con el nombre de " "archivo «%1»" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Error de Salida" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Fallo al escribir en el archivo %1." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Seleccionar directorio de salida" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: ¡El directorio no existe!" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: ¡El directorio no se puede leer!" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: El archivo será sobrescrito." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: El archivo no se puede escribir." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" "Los archivos de entrada no se pueden escribir debido a un error desconocido." #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Los archivos de entrada no se pueden escribir:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Los archivos de entrada no se pueden escribir:\n" "\n" "%1\n" "\n" "Avisos:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Aviso:\n" "\n" "%1\n" "\n" "¿Desea continuar?" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Escribir archivos de entrada" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "Configurar Tarea" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Enviando tarea a MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "El Envío de la Tarea alcanzó el Tiempo Límite" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" "Avogadro alcanzó el tiempo límite de espera para la respuesta de MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Esperando a que se complete la tarea %1 «%2»…" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "Dejar de esperar" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "Recabando información de tarea completada…" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "La Recepción de la Tarea alcanzó el Tiempo Límite" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro alcanzó el tiempo límite de espera para los detalles de tarea " "completada de MoleQueue." #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "Error al Enviar Tarea" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "La tarea ha sido rechazada por MoleQueue: %1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "No hay programa seleccionado." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" "Por favor, seleccione el programa deseado de la lista «Lista de Espera y " "Programa»." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "El cliente no logró enviar la tarea a MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Error interno." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "No se pudo resolver la selección de programa. Se trata de un error." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "¡No hay molécula establecida en «BackgroundFileFormat»!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "¡«Io::FileFormat» no establecido en «BackgroundFileFormat»!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "¡No hay nombre de archivo establecido en «BackgroundFileFormat»!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "Dividir Horizontalmente" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "Dividir Verticalmente" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Hidrógeno" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Helio" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Litio" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Berilio" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Boro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Carbono" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Nitrógeno" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Oxígeno" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Flúor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neón" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Sodio" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnesio" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Aluminio" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silicio" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fósforo" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Azufre" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Cloro" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argón" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Potasio" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Calcio" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Escandio" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titanio" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadio" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Cromo" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Manganeso" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Hierro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Cobalto" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Níquel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Cobre" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Zinc" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Galio" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germanio" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsénico" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selenio" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Bromo" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Kriptón" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidio" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Estroncio" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Itrio" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirconio" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niobio" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molibdeno" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Tecnecio" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Rutenio" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rodio" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Paladio" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Plata" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Cadmio" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indio" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Estaño" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimonio" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Telurio" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Yodo" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xenón" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Cesio" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Bario" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantano" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cerio" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodimio" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodimio" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Prometio" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samario" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europio" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinio" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbio" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Disprosio" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmio" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbio" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Tulio" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Iterbio" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutecio" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnio" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantalio" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Tungsteno" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Renio" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmio" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridio" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platino" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Oro" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Mercurio" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Talio" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Plomo" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bismuto" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonio" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astato" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radón" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Francio" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radio" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Actinio" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Torio" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protactinio" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uranio" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptunio" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutonio" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Americio" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Curio" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkelio" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Californio" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einstenio" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermio" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelevio" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelio" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Laurencio" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherfordio" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnio" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgio" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bohrio" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassio" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitnerio" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtio" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Roentgenio" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Copernicio" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihonio" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flerovio" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moscovio" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermorio" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Teneso" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganesón" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "Examinar" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "Seleccionar archivo:" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "Seleccionar ejecutable:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" "No se pudo hallar un lector de archivos adecuado para el archivo " "seleccionado." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "Falta la extensión de archivo, por lo que no se puede determinar el formato. " "¿Desea añadirlo?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" "No se pudo hallar un escritor de archivos adecuado para el formato de " "archivo seleccionado." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "manipuladores" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "manipular" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "lectores" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "leer" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "escritores" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "escribir" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" "Múltiples %1 hallados capaces de %2 este formato de archivo. ¿Cuál se " "debería usar?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "Todos los archivos" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "Todos los formatos soportados" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" "Error al leer la representación de la molécula: Formato de archivo no " "reconocido: %1" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "Mensaje %1" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Error al escribir la representación de la molécula a cadena de texto: " "Formato de archivo no reconocido: %1" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" "Error al escribir la representación de la molécula a cadena de texto: %1" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "«userOptions» no encontradas." #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "La opción «%1» no se refiere a un objeto." #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "«type» no es una cadena de texto para la opción «%1»." #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "No se encontró la opción «%1»." #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "Pestaña %1" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Título" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "Nombre de archivo Base" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "Núcleos del Procesador" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "Tipo de Cálculo" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "Teoría" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Base" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "Carga" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "Multiplicidad" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "Error: el valor debe ser objeto de la clave «%1»." #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Opción de tipo «%1» no reconocida para la opción «%2»." #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" "Error al establecer el valor por defecto para la opción «%1». Tipo de " "aplicación incorrecto." #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" "Error al establecer el valor predeterminado para la opción «%1». Valor " "predeterminado incorrecto:" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Error al establecer el valor predeterminado para la opción «%1». No se " "encontró un índice de entrada combinado válido para el valor:" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Aplicación no incluída en «collectOptions» para la opción «%1»." #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "[sin molécula]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "Capa %1" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Bola y Varilla" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Esquemático" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Cerrar Contactos" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Red del Cristal" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Momento dipolar" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Fuerza" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "Etiquetas" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Regaliz" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "Mallas" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "No covalente" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Elementos de Simetría" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Armazón de alambre" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "Sin título" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "Crear una nueva vista" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Tabla periódica" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Error al ejecutar la secuencia de comandos «%1 %2»: Se agotó el tiempo de " "espera para comenzar (%3)." #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Error al ejecutar la secuencia de comandos «%1 %2»: Fallo al escribir en " "stdin (len=%3, escribió %4 bytes, error de QProcess: %5)." #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Error al ejecutar la secuencia de comandos «%1 %2»: se agotó el tiempo de " "espera para finalizar (%3)." #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Error al ejecutar la secuencia de comandos «%1 %2»: Estatus de salida " "anormal %3 (%4: %5)\n" "\n" "Salida:\n" "%6" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "Advertencia '%1'" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "Fallo al iniciar la secuencia de comandos." #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "La secuencia de comandos colapsó." #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "La secuencia de comandos agotó el tiempo de espera." #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "Error de lectura." #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "Error de escritura." #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "Error desconocido." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Modificar Capas" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Eliminar Capas" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Eliminar Información de la Capa" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Añadir Capa" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Añadir Información de la Capa" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "Cambiar Capa" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Añadir Átomo" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Eliminar Átomo" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "Limpiar Átomos" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Ajustar Hidrógenos" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Cambiar Elementos" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Cambiar Elemento" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "Cambiar Hibridación de un Átomo" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "Cambiar Carga Formal de un Átomo" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "Cambiar Color de un Átomo" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "Cambiar Capa de un Átomo" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Añadir Enlace" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "Remover Enlace" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "Eliminar Enlaces" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "Establecer Órdenes de Enlace" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Cambiar Orden de Enlace" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "Actualizar Enlaces" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "Actualizar Enlace" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "Añadir celda unidad…" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "Eliminar Celda Unidad" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "Editar Celda Unidad" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "Envolver Átomos en Celda" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "Escalar el Volumen de la Celda" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "Construir Súper Celda" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "Reducción de Niggli" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "Rotar a la Orientación Estándar" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "Reducir a una Celda Primitiva" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "Convencionalizar Celda" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "Dar Simetría a la Celda" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Llenar Celda Unidad" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "Reducir Celda a una Unidad Asimétrica" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "Cambiar las Posiciones de los Átomos" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "Cambiar la Posición de un Átomo" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "Cambiar la Etiqueta de un Átomo" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "Etiqueta cambio de enlace" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "Cambiar Selección" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Modificar Molécula" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "Configuración" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "No se puede cargar la secuencia de comandos %1" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "Comprobando secuencias de comandos %1 en la ruta %2" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "Bloque HTML 3DMol." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Archivo" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "&Exportar" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "Cambiar elementos…" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Construir" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Elemento:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "Alquimia" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "Cambiar elementos de átomos." #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Alinear" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" "Alinear Moléculas \n" "\n" "Botón Izquierdo del Ratón: \t Seleccionar hasta dos átomos. \n" "\t El primer átomo se centra en el origen. \n" "\t El segundo átomo está alineado con el eje seleccionado. \n" "Botón Derecho del Ratón: \t Cambiar la alineación. \n" "Doble clic: \t Centrar el átomo en el origen." #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Eje:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Alinear en el Origen" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "Alinear con el Eje" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "Centrar el átomo en el origen." #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "Rotar la molécula para alinear el átomo con el eje especificado." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Herramienta de alineación" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Alinear moléculas a un eje Cartesiano" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "Ejecutar APBS…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Abrir Archivo de Salida…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "&Entrada" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "Abrir Archivo de Salida" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "Archivo OpenDX (*.dx)" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "Error de E/S" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "Error de lectura del archivo de estrucutura (%1)." #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "Error de OpenDX" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Error de lectura del archivo OpenDX: %1" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "Error de lectura del archivo OpenDX: No se encontró ningún cubo" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Interacciona con utilidades APBS." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Abrir Archivo PDB" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "Archivos PDB (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Abrir Archivo PQR" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "Archivos PQR (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Error" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Error ejecutando APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Por favor, especifique archivo PDB" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Guardar Archivo de Entrada APBS" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "Archivo de Entrada APBS (*.in)" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "Éxito" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Archivo de entrada escrito en '%1'" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "Por Color Personalizado…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "Por índice atómico…" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "Por distancia…" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "Por Elemento" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "Por Cadena" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "Por Carga Parcial…" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "Por Estructura Secundaria" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "Por Aminoácido" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "Por Esquema de Forma" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "Calor" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "Caliente" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "Gris" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "Infierno" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "Espectral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "Templado" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "Equilibrar" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Azúl-Rojo Oscuro" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "Aplicar esquemas de color a átomos y residuos." #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Ver" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "Átomos coloreados" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "Residuos Coloreados" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "Seleccionar Mapa de Color" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "Mapa de Color:" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "Aplicar Colores" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Escala de átomos" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Escala de enlace" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "Opacidad" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Mostrar enlaces múltiples" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Mostrar hidrógenos" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Representar átomos como esferas y enlaces como cilindros." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Manipulación Centrada en Enlaces" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Herramienta de manipulación Bond Centric (%1)\n" "\n" "Botón izquierdo del ratón: \tHaga clic y arrastre para rotar la vista.\n" "Botón central del ratón: \tHaga clic y arrastre para acercar o alejar la " "vista.\n" "Botón derecho ratón: \tHaga clic y arrastre para mover la vista.\n" "Doble clic: \tReinicia la vista.\n" "\n" "Haga clic y arrastre con el botón izquierdo en un enlace para establecer el " "plano de manipulación:\n" "Haga clic con el botón izquierdo\n" "y arrastre uno de los átomos del enlace para cambiar el ángulo Haga clic con " "el botón derecho y arrastre uno de los átomos del enlace para cambiar la " "longitud" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "%L1º" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "%L1 Å" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Herramienta de manipulación centrada en enlaces." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Herramienta usada para editar la geometría molecular cambiando longitudes de " "enlace y ángulos." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Enlazar Átomos" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "Determinar Órdenes de Enlace" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Eliminar Enlaces" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Configurar Enlaces…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "Enlazar Átomos Seleccionadaos" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "Enlace" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "Eliminar enlaces de todos los átomos o de los átomos seleccionados." #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "Crear enlaces entre todos los átomos o entre los átomos seleccionados." #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "Determinar órdenes de enlace." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Enlazando" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Ejecutar operaciones de enlazado." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "Esqueleto" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Trazado" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Tubo" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Cinta" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Esquema" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Dibujo" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Cuerda" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Mostrar cintas/dibujos de biomoléculas." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Añadir Centroide" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Añadir Centro de Masas" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Añadir Perpendicular" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Centroide" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Añadir centroides y centros de masas." #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "Distancia máxima:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Ancho de línea:" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Representar contactos cercanos entre átomos." #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "Contacto" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "Puente Salino" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "Repulsivo" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "Editar Mapa de Opacidad de Color…" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Extensiones" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "Mapa de Opacidad de Color" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" "Editar mapas de opacidad de color, principalmente para representar volumen." #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "Secuencias de Comandos" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Error leyendo archivo de salida '%1':\n" "%2" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "Procesando %1" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "Establecer ruta al interprete de Python:" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Seleccionar el interprete de python para ejecutar secuencias de comandos " "externas.\n" "Avogadro debe ser reiniciado para que los cambios tengan efecto." #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "Secuencias de Comandos" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "Ejecutar secuencias de comandos externas" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "Configuración de Python…" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "Instalar Python" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Python se utiliza para muchas funciones de Avogadro. ¿Quieres descargar " "Python?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "ConfigurePython" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Configurar entornos Python." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "Otro…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Editor de &Coordenadas Atómicas…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Editor de coordenadas cartesianas" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Editor de texto de coordenadas atómicas." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "¿Sobrescribir cambios?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "El documento de texto ha sido modificado. ¿Le gustaría descartar sus cambios " "y volver a la molécula actual?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Muy pocas entradas en línea." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Nombre de elemento inválido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Nombre de elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Símbolo de elemento inválido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Símbolo de elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "Etiqueta atómica inválida." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Número atómico no válido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Índice atómico." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Número atómico inválido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Número atómico." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Coordenada inválida." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "Coordenada X." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Coordenada Y." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Coordenada Z." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "Coordenada de la red «a»." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "Coordenada de la red «b»." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "Coordenada de la red «c»." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Error al aplicar geometría" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "No se pudo analizar la especificación de geometría. Solucione los errores " "resaltados e inténtelo de nuevo.\n" "\n" "(Consejo: Mantenga el ratón sobre el texto en rojo para ver la descripción " "del error.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Editar Coordenadas Atómicas" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Personalizado" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "Formato XYZ (símbolos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "Formato XYZ (nombres)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "Formato XYZ (números atómicos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Coordenadas de red (símbolos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Coordenadas de red (nombres)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Coordenadas de red (números atómicos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "Formato GAMESS (símbolos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "Formato GAMESS (nombres)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Formato Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "Copiar" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "InChI" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "Cortar" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "Limpiar" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "&Pegar" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "&Editar" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "Copiar Como" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "Error Copiando la Molécula en el Portapapeles" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "Error al generar datos del portapapeles." #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Formato de salida: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Error del lector:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "Error al Pegar la Molécula" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "No se puede pegar la molécula: ¡Portapapeles vacío!" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "Error al leer datos del portapapeles." #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Formato detectado: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Copiar y pegar" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Interaccionar con el portapapeles." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "Entrada de CP2K" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "Generar entrada para CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energía" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "Energía y Fuerzas" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "Dinámica Molecular" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "Optimización de Geometría" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "Métodos de estructura electrónica (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "Mecánica Molecular" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Híbrido cuántico-clásico (Aún no soportado)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "NINGUNO" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "ATÓMICO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "NÚCLEO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "DENSIDADES" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "REINICIAR_HISTORIA" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "ALEATORIO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "REINICIAR" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "ESCASO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "Gradientes Conjugados" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "Descenso pronunciado" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "El archivo de entrada ha sido modificado. ¿Le gustaría sobrescribir sus " "cambios para reflejar la nueva geometría o las opciones del trabajo?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "¿Sobrescribir el archivo de entrada modificado?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "Guardar archivo de entrada de CP2K" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "Enviar Cálculo de CP2K" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Importar Cristal desde el portapapeles…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Alternar Celda Unidad" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Editar Celda Unidad…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Asociar Átomos a Celda Unidad" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Rotar a la &Orientación Estándar" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Escalar el &Volumen de la Celda…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "Construir &Súper Celda…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Reducir Celda (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "&Cristal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Eliminar &Celda Unidad" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Añadir &Celda Unidad" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "Importar Cristal desde el Portapapeles" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "Asociar átomos a la celda unidad." #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "Rotar la celda unidad a la orientación estándar." #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "Reducir Cristal mediante Niggli" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "La celda unidad ya está reducida." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Cristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Herramientas específicas para editar/analizar cristales." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "Ejes de color:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Color de línea:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Representar los bordes de la celda unidad." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "No se puede Analizar el Texto" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Fallo al leer los datos con el formato suministrado." #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "No hay celda unidad." #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "Reasignar Elementos &Personalizados…" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "Manipular los tipos de elementos personalizados en la molécula actual." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Elementos Personalizados" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "Representar el momento dipolar de la molécula." #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Dibujar" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" "Herramienta Dibujar (%1)\n" "\n" "Botón izquierdo ratón: \tClic y Arrastrar para crear Átomos y Enlace\n" "Botón derecho ratón: \tBorrar Átomo" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Dibujar Átomo" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "Cambiar Tipo de Enlace" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "Eliminar Enlace" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Distancia:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "%1 %L2" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Herramienta de edición" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "Automático" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Individual" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Doble" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Triple" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "&Importar" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "Obtener PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "No se puede leer la molécula de PDB: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "Código PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Estructura química para descargar." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Código PDB incorrecto" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "El código PDB debe tener exactamente 4 caracteres." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "El primer carácter del código PDB debe ser 1-9." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "Consultando para %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Fallo al Descargar desde la Red" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Se superó el tiempo de espera de la red u otro error." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "No se encontró la molécula especificada: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Obtener de PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "Descargar modelos PDB desde el Banco de Datos de Proteínas" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "Selección de Enfoque" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "Desenfocar" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Enfocar" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Enfocar la vista en características específicas." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" "Representar la visualización del campo de fuerza para los átomos de la " "molécula." #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "Optimizar Geometría" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "Fuerzas" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "Configurar…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "Fijar los Átomos Seleccionados" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "Liberar los Átomos Seleccionadaos" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "&Calcular" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "No se proporcionan átomos para la optimización" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "Energía: %L1" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 Energía = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 Criterios de la fuerza = %L2" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "Optimización del campo de fuerza" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "" "Minimización del campo de fuerza, incluyendo las secuencias de comandos" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Autodetectar (%1)" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "Campo de Fuerza Universal" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "Campo de Fuerza Generalizado de Amber" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "Campo de Fuerza Molecular 94 de Merck" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" "Error recuperando metadatos para la secuencia de comandos de energía: %1" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" "Error analizando metadatos para la secuencia de comandos de energía: %1" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" "Error analizando metadatos para la secuencia de comandos de energía: %1\n" "El resultado no es un objeto JSON.\n" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "Entrada de GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Generar entrada para GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "Punto único" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Geometría de Equilibrio" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Estado de Transición" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Frecuencias" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Potencial Nuclear" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Agua" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Singlete" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Doblete" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Triplete" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Dicatión" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Catión" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neutro" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anión" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianión" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "Grabar archivo de entrada de GAMESS" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "Enviar Cálculo de GAMESS" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Ajustar Hidrógenos" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Añadir hidrógenos" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Eliminar &Hidrógenos Extra" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Eliminar Todos los Hidrógenos" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "Añadir/eliminar hidrógenos de la molécula actual." #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "&Hidrógenos" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrógenos" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "&Buscar PQR…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Importar desde PQR" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Descargar una molécula desde PQR." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "ADN/ARN…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Insertar" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "Insertar ADN/ARN…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "Uracilo" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "Timina" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "Insertar Molécula…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "Generando molécula 3D…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "Insertar ADN" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "Insertar fragmentos de ADN/ARN mediante texto." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "Molécula…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Cristal…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "Error de lectura del archivo (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "Importar Cristal" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Insertar Fragmento" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Insertar Fragmento" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Insertar fragmentos moleculares para construir moléculas más grandes." #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "Color:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "Distancia desde el centro:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Ninguno" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "Índice" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "Identificador único" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Elemento" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "Elemento y Número" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "Elemento e identificación" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "Carga parcial" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "Etiqueta Atómica:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "Longitud" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "Etiqueta de enlace:" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "Nombre" #: qtplugins/label/label.cpp:236 msgid " & " msgstr " & " #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "Etiqueta de Residuo:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Mostrar etiquetas en el estilo «bolas y palos»." #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "Editar Etiquetas" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" "Herramienta de etiquetas de átomos (%1)\n" "\n" "Botón izquierdo del ratón: \tHaga clic en los átomos para añadir etiquetas " "personalizadas" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "Crear Etiqueta" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "Herramienta de edición de etiquetas" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "Entrada de LAMMPS" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Generar entrada para LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "¿Desea actualizar el texto de vista previa, perdiendo todos los cambios " "realizados en el panel de vista previa de entrada de LAMMPS?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Opacidad:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "Representar átomos como regaliz/palos." #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "¡No se han encontrado descriptores!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "¡No se han encontrado lectores de formato de línea!" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "No se puede cargar el lector de formato solicitado." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "Entrada de Formato de Línea" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" "Cargar descriptores moleculares de línea única mediante entrada de texto." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipular" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" "Herramienta de manipulación (%1)\n" "\n" "Botón izquierdo ratón: \tClic y arrastrar\n" "para mover átomos\n" "Botón derecho ratón: \tClic y arrastrar para rotar átomos.\n" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Herramienta de Manipulación" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Medir" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" "Herramienta de medición (%1)\n" "\n" "Botón izquierdo ratón: Seleccione hasta cuatro átomos.\n" "\tLas distancias se miden entre 1-2 y 2-3\n" "\tEl ángulo se mide entre 1-3 usando 2 como punto común\n" "\tDihedral se mide entre 1-2-3-4\n" "Botón derecho ratón: Reiniciar las mediciones." #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Ángulo Diedro:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Ángulo:" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "Ángulos:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Herramienta de medición" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "Representar mallas poligonales." #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(pendiente)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "Molécula desconocida" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "Propiedad" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "Nombre de la molécula" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "Masa molecular (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "Fórmula química" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "Número de átomos" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "Número de enlaces" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "Conjuntos de coordenadas" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "Número de residuos" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "Número de cadenas" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "Carga neta" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "Multiplicidad de espín neto" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "Momento dipolar (Debye)" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "Energía HOMO (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "Energía LUMO (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "Energía SOMO (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "Energía total (Hartree)" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "Energía del punto cero (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "Entalpía (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "Entropía (kcal/mol•K)" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "Energía libre de Gibbs (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "Grupo de puntos" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "&Molecular…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "Ver las propiedades generales de una molécula." #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "&Análisis" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Propiedades" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Propiedades moleculares" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Propiedades Moleculares" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "Exportar a CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "Archivos CSV (*.csv);;Todos los archivos (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "No se ha podido abrir el archivo para escribir." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "Error al escribir en el archivo." #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "Exportar…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navegar" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" "Herramienta de navegación (%1)\n" "\n" "Botón izquierdo ratón: \tHaga clic y arrastre para girar la vista.\n" "Botón central del ratón:\tHaga clic y arrastre para acercar o alejar la " "vista.\n" "Botón derecho del ratón: \tHaga clic y arrastre para mover la vista.\n" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "Rotar la escena a lo largo de los ejes x, y o z." #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "Ampliar la escena." #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "Mover la escena." #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "Invertir el Sentido al Acercar/Alejar" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" "Por defecto:\tBaje para alejar, suba para aumentar\n" "Invertido:\tSuba para alejar, baje para aumentar" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Herramienta de navegación" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Nombre Químico" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Bases de Datos en Red" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Interaccionar con bases de datos en línea, consultar estructuras, etc." #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "Tolerancia del Ángulo:" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Representar algunas interacciones no covalentes." #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "Halógeno" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "Calcógeno" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "Configurar Campo de Fuerza…" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "Buscar Confórmeros…" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "Determinar Enlaces" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "Añadir Hidrógenos para pH…" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "Eliminar Hidrógenos" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" "¡%1 no encontrado! Deshabilitando las acciones del complemento de Open Babel." #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" "Los formatos de archivos de Open Babel no están preparados para ser añadidos." #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "Cargando molécula desde Open Babel…" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Ocurrió un error interno: OpenBabel::lectura de Molécula solicitada, ¡pero " "no hay respuesta de Open Babel para analizar!" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "Ocurrió un error durante la ejecución de Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "Error analizando la respuesta de Open Babel." #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Ocurrió un error recuperando la lista de campos de fuerza soportados. " "(usando '%1')." #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molécula inválida. No se pudo optimizar la geometría." #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "No se pudo optimizar la geometría con Open Babel." #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "Optimizando la Geometría (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "Generando…" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Ocurrió un error interno generando una representación de la molécula actual " "para Open Babel." #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Comenzando %1…" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Paso %1 de %2\n" "Energía actual: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "Actualizando molécula…" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "Error interpretando la respuesta de Open Babel." #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "El número de átomos en la respuesta de Open Babel (%1) no coincide con el " "número de átomos en la molécula original (%2)." #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "Molécula inválida. No se pueden generar confórmeros." #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "No se pueden generar confórmeros con Open Babel." #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "Generanado Confórmeros (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "Generar Confórmeros" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "No se pudo abrir el archivo con Open Babel." #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Molécula inválida: No se han podido determinar enlaces." #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "Buscando Enlaces (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "Generando representación XYZ…" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "Error generando la cadena XYZ." #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Convirtiendo XYZ a Open Babel con %1…" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "Actualizando molécula desde Open Babel…" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "No se pudieron añadir hidrógenos con Open Babel." #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "Añadiendo Hidrógenos (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "Generando entrada de Open Babel…" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "Error generando entrada de Open Babel." #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "Ejecutando %1…" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "Añadir hidrógenos para pH" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "Generando entrad de obabel…" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "No se pudieron eliminar los hidrógenos con Open Babel." #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "Eliminando Hidrógenos (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "Error generando datos de Open Babel." #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "Leyendo respuesta de obabel…" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Ya se está ejecutando Open Babel. Espere a que se complete la otra operación " "e intentarlo de nuevo." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Interaccionar con las utilidades de Open Babel." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "&Secuencia de Comandos OpenMM…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "Entrada de OpenMM" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Generando entrada para OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "¿Desea actualizar la vista previa de texto, perdiendo todos los cambios " "realizados en la vista previa del panel de entrada de OpenMM?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "máximo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "Cierto" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "Ejes de Referencia" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "Superposición de Ejes de Referencia" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "Representar ejes de referencia en la esquina de la pantalla." #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "Reproductor" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "Herramienta de animación (%1)" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "Reproducir" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Parar" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "Fotogramas por segundo:" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "Fotograma:" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " of %0" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "¿Enlaces dinámicos?" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "Grabar Película…" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "Película (*.mp4)" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "Exportar Gráficos en Mapa de Bits" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Película (*.mp4);;Película (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "Advertencia de soporte de GIF FPS" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "El formato de archivos GIF no soporta más de 100 FPS." #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "Película (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "Error: No se pudo añadir el fotograma al vídeo." #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "No se puede guardar el archivo %1." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Herramienta de reproducción" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Rebobinar trayectorias" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "Trazar Función de Distribución por Pares…" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "Fallo al generar un patrón de PDF" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "Mensaje de error: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Generar y trazar una curva de Función de Distribución por Pares." #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "Trazar curva RMSD…" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "PlotRmsd" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "Generar y trazar una curva RMSD." #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "Mostrar Patrón Teórico de XRD…" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "Fallo al generar un patrón de XRD" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "Fallo convirtiendo la molécula a formato CIF." #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "¡Los datos leídos desde genXrdPattern parecen estar corruptos!" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "Error: ¡No se encuentra el ejecutable genXrdPattern!" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "Error: " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Generar y mostrar un patrón teórico de XRD usando ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "Actualizar" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "Versión" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "Descripción" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "Error al descargar los datos del complemento." #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "Error al analizar los datos del complemento." #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "Este plugin requiere la instalación de ciertos paquetes.\n" "¿Desea instalarlos?" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "Siempre" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "Nunca" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "Falló la descarga desde %1: código de estado %2, %3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Descargando %1 to %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Extrayendo %1 to %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "Finalizando %1 archivos\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "Extracción exitosa\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "Error extrayendo: %1" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "Descargar Complementos…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Descargar Complementos" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Descargar complementos desde repositorios de GitHub." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "Representación PLY…" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "Guardar Archivo" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Archivo de texto (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "Representar las escenas utilizando PLY." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "Representación POV-Ray…" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Archivo de texto (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Representar las escenas utilizando POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Valencia" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "Carga Formal" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "Carga parcial %1" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "Etiqueta" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "Color" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Átomo" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Tipo" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "Átomo Inicial" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "Átomo Final" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "Orden del Enlace" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Longitud (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "Cadena" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "Estructura Secundaria" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "Heterogéneo" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "Átomo 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Vértice" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "Átomo 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "Ángulo (°)" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "Átomo 2" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "Átomo 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "Energía (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "Ajustar Fragmento" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "Hélice π" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "Curvar" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "Hélice α" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "Hoja β" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Hélice 3-10" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "Puente β" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "Giro" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "Enrollar" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Propiedades Atómicas…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Propiedades de Enlace…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Propiedades de Ángulo…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Propiedades de Torsión…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Propiedades de Residuos…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "Propiedades Heteromorfismo…" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" "Tablas para visualizar y editar propiedades de átomos, enlaces, ángulos y " "torsiones." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "Tablas de Propiedades" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Propiedades Atómicas" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Propiedades de Enlace" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Propiedades de Ángulo" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Propiedades de Torsión" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Propiedades de Confórmero" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "Propiedades de Residuo" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM - Quantum Theory of Atoms in Molecules" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Representar primitivas usando propiedades QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Gráfico Molecular…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "Gráfico Molecular con Pares Solitarios…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "Carga Atómica…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Abrir Archivo WFN" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Archivos WFN (*.wfn);;Todos los archivos (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Extensión QTAIM" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "Entrada cuántica" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "Generar entradas para códigos cuánticos." #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "Centrar" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "Alinear la Vista con los Ejes" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "Alinear la vista con los ejes." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Restablecer la vista" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Manipular la cámara de observación." #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "Secuencias de Comandos de Modelos de Carga" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "Cargar modelos electrostáticos desde secuencias de comandos externas." #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "Formatos de Archivo para Secuencias de Comandos" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "Cargar archivo lector/escritor desde secuencias de comandos externas." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Seleccionar Todo" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "No Seleccionar Nada" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Invertir Selección" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Seleccionar por Elemento…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Seleccionar por Índice Atómico…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Seleccionar por Residuo…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "Seleccionar Átomos del Esqueleto…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "Seleccionar Átomos de las Cadenas Laterales…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "Seleccionar Agua" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "Agrandar Selección" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "Encoger Selección" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "Crear una Capa Nueva con la Selección" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Cambiar selecciones" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Seleccionar" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Seleccionar Elemento" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "Seleccionar Esqueleto" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "Seleccionar Cadenas Laterales" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Seleccionar Átomos por Índice" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Átomo a Seleccionar:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Seleccionar Átomo" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Seleccionar Átomos por Residuo" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Residuos a Seleccionar:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "Seleccionar Residuo" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "Seleccionar" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Selección" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" "Herramienta de selección (%1)\n" "\n" "Botón izquierdo ratón: Haga clic para seleccionar átomos individuales, " "residuos o fragmentos\n" "\tArrastrar para seleccionar un rango de átomos\n" "Botón derecho ratón: Haga clic fuera de la molécula para borrar la " "selección\n" "Utilice Ctrl para alternar la selección y Mayús para añadir a la selección.\n" "Doble click: Seleccione un fragmento completo." #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "Pintar Átomos" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Herramienta de selección" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "Nueva Capa" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "Determinar Grupo Espacial…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "Simetrizar" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "Llenar Celda Unidad…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "Reducir a una Unidad Asimétrica" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "Establecer Tolerancia…" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "Grupo Espacial" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "Rellenar átomos simétricos en función del grupo espacial del cristal." #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "Reconocimiento de grupos espaciales" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "El grupo espacial ya está configurado en: %1.\n" "¿Desea sobrescribirlo?" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "Fallo" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "La percepción del grupo espacial ha fallado.\n" "¿Desea volver a intentarlo con una tolerancia diferente?" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "Reducción Primitiva" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "La tolerancia está actualmente establecida en: %1.\n" "¿Continuar con esta tolerancia?" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "La reducción primitiva falló.\n" "Por favor, comprobar el cristal e intentarlo de nuevo con una tolerancia " "diferente." #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "La convencionalización de la celda falló.\n" "Por favor, comprobar el cristal e intentarlo de nuevo con una tolerancia " "diferente." #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Falló la simetrización.\n" "Por favor, comprobar el cristal e intentarlo de nuevo con una tolerancia " "diferente." #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "Seleccionar tolerancia en Å:" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "Internacional" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "Sala" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "Seleccionar un Grupo Espacial" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "Grupo Espacial" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "Características del grupo espacial para cristales." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "Trazar espectros…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "Espectros" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "Mostrar gráficos del espectro." #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "Infrarrojo" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "Electrónica" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "Dicroísmo circular" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "Densidad de los estados" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Seleccionar el color de fondo" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Seleccionar el Color de primer plano" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "Seleccionar espectro de color calculado" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "Seleccionar espectro de color importado" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "Longitud de onda (nm)" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "Espectros de la vibración" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "Números de onda (cm-¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "Transmisión" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "Espectros Raman" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "Intensidad" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "Espectros RMN" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "Desviación química (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "Espectros electrónicos" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Energía (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "Espectros dicroísmo circular" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "Densidad" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "Orbitales moleculares…" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "Ventana orbital" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "Mostrar listas orbitales." #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Òrbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Simetría" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Estado" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO (orbital molecular ocupado de mayor energía)" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO (orbital molecular vacío de menor energía)" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "Orbitales moleculares" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "Disolvente Accesible" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "Disolvente Excluido" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Orbital Molecular" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Densidad Electrónica" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "Densidad de Espín" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "Orbital Molecular %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "Desde Archivo" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "Crear Superficies…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "Representar la superficie de Van der Waals." #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "Representar la superficie molecular de van der Waals." #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "Representar la superficie molecular accesible a los disolventes." #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "Representar la superficie molecular inaccesible al disolvente." #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "Representar un orbital molecular." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "Representar la densidad electrónica." #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "Representar la densidad de espín." #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "Representar un cubo suministrado con el archivo." #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "Calculando densidad electrónica" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "Calculando la densidad de espín" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Calculando orbital molecular %L1" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "Película AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "Exportar Película" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Película MP4 (*.mp4);;Película AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Superficies" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Leer y representar superficies." #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Representar la escena en un archivo SVG." #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "Clase" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "Simetría…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Proporcionar funcionalidad de simetría." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Representar elementos de simetría." #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "Grupo %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "Plantilla" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" "Herramienta Plantilla (%1)\n" "\n" "Insertar fragmentos, incluyendo centros metálicos.\n" "Seleccione un elemento y una geometría de coordinación y haga clic para " "insertar un fragmento.\n" "\n" "Seleccione un ligando o grupo funcional y haga clic en un átomo de hidrógeno " "para unirlo." #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "Portapapeles" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "Insertar Plantilla" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "Insertar Ligando" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "Herramienta de plantilla" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Visualización sencilla de esferas de Van der Waals." #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "Modos Vibracionales…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "Mostrar el diálogo de los modos de la vibración." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Establecer el modo de vibración." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "Establecer la amplitud de la vibración." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "Iniciar la animación vibracional." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "Detener la animación vibracional." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "Vibraciones" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "Mostrar modos vibracionales." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "Representación VRML…" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Archivo de texto (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Representar la escena utilizando VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Representar la molécula en modo armazón de alambre." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "Calcular Estructura de Bandas…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "No se pudo calcular la estructura de bandas: ¡no hay celda unidad!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "Fallo al ejecutar Yaehmop con el siguiente error:\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "¡Fallo al leer la estructura de bandas desde Yaehmop!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "¡Solo se encontró un punto k especial en la respuesta de Yaehmop! ¡Se " "necesitan dos o más!" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "Banda %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "Nivel de Fermi" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "No se encuentra Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "Error: %1 no pudo iniciarse" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "Entrada de Yaehmop" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Realizar cálculos de Hückel extendido con yaehmop." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Diálogo" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Formulario" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Configuración de Cálculo" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "Texto Marcador de Posición…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Restablecer" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "Secuencia de Comandos de Depuración…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "Enviar Cálculo…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Guardar entrada…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Lista de Espera y Programa:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "Refrescar" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" "

      Número de núcleos del procesador que se reservarán " "para esta tarea.

      " #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Núcleos del procesador:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" "

      Borrar archivos de trabajo remotos tras completar la " "tarea. Los resultados se copiarán en primero en la memoria caché local de la " "tarea de MoleQueue.

      " #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Borrar archivos remotos al terminar:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" "

      Seleccionar para evitar que esta tarea se muestre en " "el GUI de MoleQueue por defecto.

      " #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Ocultar tarea en MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" "

      Mostrar una notificación del sistema en ventana " "emergente cuando cambie el estado de la tarea.

      " #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Mostrar notificaciones de progreso:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Abrir respuesta de salida al terminar:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Renombrar Elementos" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "Insertar Fragmento…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filtrar:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Escribir un nombre o parte de un nombre para mostrar solo los archivos que " "coincidan." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Insertar" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "Extracto de 3DMol HTML" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Copiar al Portapapeles" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Archivo de Entrada de Estructura" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Generar Entrada desde PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "Archivo PDB:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "…" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Campo de Fuerza:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Ejecutar PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Cargar Archivo PQR Existente" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "Archivo PQR:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "Archivo de Entrada APBS" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Guardar Archivo de Entrada" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Ejecutar APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "¡Éxito!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Cargar Archivo de Estructura" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Cargar Archivo de Cubo" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "Cargas Parciales" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "Modelo de Carga:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Tolerancia de Distancia:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Distancia Mínima:" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "Representar Volumen" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "Cubo" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "Permitir la representación del volumen" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "Permitir la representación de superficies" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "Isovalor" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "Sólo existe el entorno conda \"base\".\n" "¿Desea crear un nuevo entorno para Avogadro?\n" "Esto hará una copia de su entorno base.\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "Nombre del entorno:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Seleccione la versión de Python utilizada para ejecutar scripts.\n" "Avogadro debe reiniciarse para que los cambios surtan efecto." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "Entorno:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Editor de Coordenadas" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Preestablecer:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Unidad de Distancia:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Angstrom" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formato:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" "

      Especificación de Formato. Cada carácter indica un " "valor a escribir por átomo:

      # " "- Índice atómico (1, 2, ..., numAtoms)
      Z - Número atómico (e.g. «6» para el carbono)
      G - Número atómico estilo GAMESS (e.g. «6.0» para " "el carbono)
      N - Nombre del " "elemento (e.g. «Carbono»)
      S - " "Símbolo del elemento (e.g. «C» para el carbono)
      L - Etiqueta atómica (e.g., «C2» para el segundo átomo " "de carbono, «H1» para el primer hidrógeno)
      x - Posición en la coordenada X
      y - Posición en la coordenada Y
      z - Posición en la coordenada Z
      a - Coordenada de la red «a» (solo para cristales)
      b - Coordenada de la red «b» (solo " "para cristales)
      c - Coordenada " "de la red «c» (solo para cristales)
      _ - Un espacio literal (« »), útil para alineamientos
      0 - Un cero literal («0»), útil para banderas de " "optimización
      1 - Un uno literal " "(«1»), útil para banderas de optimización

      " #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "Ayuda…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Pegar" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Revertir" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Aplicar" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "Entrada CP2K" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Restablecer Todo" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Predeterminados" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "Guardar Archivo…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Configuración Básica" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Título:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "Nombre de Archivo Base:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "tarea" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Calcular:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Método:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Conjunto de bases:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Funcional" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Emax Spline Spin" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Veneno tipo EWALD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Veneno EWALD Alfa" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "Veneno EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "TRUE" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "OUTER EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" "Extensión de archivo para conversión de Open Babel (por defecto - Avogadro::" "POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Parámetros de la Supercelda" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opciones de la Supercelda" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Repetición A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Repetición B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Repetición C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "Editor de Celda Unidad" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Matriz de la Celda:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Matriz Fraccional:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "&Transformar Átomos" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Aplicar" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Revertir" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Ocultar" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Escalar el Volumen de la Celda Unidad" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "&Volumen Nuevo:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Factor de Escalado:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Volumen Actual:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Etiqueta de Texto" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Orden de Enlace:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Parámetros de Optimización de Geometría" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Criterios de Convergencia" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "Convergencia de la energía:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Límite de Intervalos:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " unidades" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " intervalos" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "Convergencia del gradiente:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Método de Optimización" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Campo de fuerza:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Detectar automáticamente" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Entrada de GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Dentro:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicidad:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Con:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Carga:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "Importar desde PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Buscar" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nombre" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "etiqueta" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "sinónimo" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "fórmula" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "InChI" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Buscar Por: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Fórmula:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Descargar" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Nombre:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Insertar Ácidos Nucleicos" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "Constructor de ADN/ARN" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "ADN" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "ARN" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Ácidos nucleicos:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Citosina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Secuencia:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "el número de pares de bases por giro de la hélice" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "Otro" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Bases por Giro:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Hebras:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "Única" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Doble" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "Entrada de LAMMPS" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Comentarios del archivo de entrada" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" "Seleccionar el estilo de unidad que se utilizará durante la simulación." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Unidades" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "real" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "electrón" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Potencial del Agua" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Seleccionar el estilo atómico utilizado en el archivo de datos." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Estilo de los Átomos" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "ángulo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atómico" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "enlace" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "carga" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipolo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "elipsoide" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "completo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "línea" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molecular" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "esfera" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "paquete de ondas" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Especificar el nombre que se utilizará para el archivo de coordenadas." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Archivo de Datos de Coordenadas" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Colectividad" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperatura" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Seleccionar el número de cadenas Nosé-Hoover en la colectividad NVT." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "Cadenas NH" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Intervalo temporal para la simulación en unidades acorde a la especificación " "«Unidades»." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Intervalo Temporal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" "Nombre de archivo para el archivo XYZ que se escribirá durante la simulación." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Descartar XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Número de dimensiones en el sistema." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensiones" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Cambiar el estilo del borde Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "fm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Cambiar el estilo del borde Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Cambiar el estilo del borde X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "Seleccionar los Estilos de los bordes en las direcciones X, Y y Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Borde" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Número de réplicas en las direcciones X, Y y Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Replicar" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Replicar la dirección X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Replicar la dirección Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Replicar la dirección Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Número total de intervalos a ejecutar en la simulación." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Periodos Totales" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Descartar Intervalo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Establecer las velocidades iniciales de los átomos para la simulación." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Velocidades Iniciales" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Seleccionar la distribución de las velocidades atómicas iniciales." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussian" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "uniforme" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" "Establecer las velocidades atómicas iniciales correspondientes a esta " "temperatura." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Eliminar el momento lineal del sistema de las velocidades iniciales." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Momento Lineal Nulo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Eliminar el momento angular del sistema de las velocidades iniciales." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Momento Angular Nulo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Controlar la respuesta termodinámica durante la simulación." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Respuesta" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Intervalo de Respuesta" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Estilo de respuesta termodinámica." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Línea Única" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Línea Múltiple" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Utilizar Formulario" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "Generar…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Descriptor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Traducido por:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Rotar alrededor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Origen" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "Centro de la molécula" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "Centro de la selección" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "Eje X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Eje Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Eje Z" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "Mover:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "Átomos seleccionados" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "Otras cosas" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Búsqueda de Confórmero" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Método" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "Número de confórmeros:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Búsqueda sistemática de rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Búsqueda aleatoria de rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Búsqueda ponderada de rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Búsqueda de algoritmo genético" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "Optimización por confórmeros:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Opciones del Algoritmo Genético" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "número de hijos por cada geometría principal" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "Hijos:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "frecuencia de mutación (menor = mutaciones más frecuentes)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "Mutabilidad:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "número de generaciones idénticas antes de alcanzar la convergencia" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "Convergencia:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "Método de puntuación:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" "método de puntuación para el algoritmo genético (RMSD = distancia " "geométrica, energía = energías más bajas)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "RMSD" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Algoritmo de Optimización:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Técnica de búsqueda de líneas:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Descenso pronunciado" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "Gradiente Conjugado" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Único" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Método de Newton" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "Limitar las Interacciones no enlazantes" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "Distancia de corte de Van der Waals:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Igualar la frecuencia actualizada:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "distancia de corte electrostática:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "Å" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "Convergencia de «Energía»:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "Constructor de Secuencias de Comandos OpenMM" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Secuencia de comandos de la tarea:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "secuencia de comandos" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Coordenadas de Entrada:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Topología de Entrada:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Campo de Fuerzas:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Modelo de Agua:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Disolvente Implícito (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Plataforma:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Referencia" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Precisión:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "Único" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "mezclado" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "doble" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Índice de Dispositivo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "Índice de la Plataforma OpenCL:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "Método no enlazado:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "Sin Corte" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "Corte no Periódico" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "Corte Periódico" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Tolerancia de Ewald:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Restricciones:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "Enlaces de Hidrógeno" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "Todos los Enlaces" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "Ángulos de Hidrógeno" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "Tolerancia de las Restricciones:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "¿Agua rígida?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "Falso" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "Corte no enlazante:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr " nm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Velocidad inicial al azar:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Temperatura de Generación:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrador:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Brownian" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "Langevin Variable" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "Verlet Variable" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "Intervalo temporal:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr " fs" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Tolerancia de error:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Tasa de colisión:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "/ps" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Temperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Barostato:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Presión:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr " atm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Intervalo del Barostato" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Informadores:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "StateData" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Intervalo de Informe:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "Intervalos de Equilibrado:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Intervalos de Producción:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "¿Minimizar?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Intervalos de Minimizado Máximos:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "Opciones de StateData:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Índice de Intervalos" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Tiempo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Velocidad" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Progreso" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Energía Potencial" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Energía Cinética" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Energía Total" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "Volumen" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "Opciones de PDF" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Radio Máximo:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Intervalo (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Opciones de Patrón Teórico de XRD" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" "

      Ensanchamiento del pico en la base (en grados).

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" "

      Valor máximos de 2theta en grados.

      Por defecto: " "162.00°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" "

      Ensanchamiento de los picos en la base en grados.

      Por defecto: 0.52958°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Número de puntos:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Anchura del pico:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Longitud de onda:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" "

      Longitud de onda de los rayos X en Angstroms.

      Por defecto: 1.50560 Å

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" "

      Número de puntos 2theta a generar.

      Por defecto: " "1000

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "2*theta máximo:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Descargar la Selección" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Radio del Punto Crítico:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Radio de la Ruta de Enlace:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalente" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Tamaño Constante" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Aplicar Color" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "Visualización de espectros" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "Factor de escalado:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "Mínimo eje X:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "Máximo del eje X:" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "Desplazamiento:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "Máximo del eje Y:" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "Mínimo del eje Y:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "Ancho del pico:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "Umbral máximo:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "Unidades:" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Apariencia" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Mostrar" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" "Las importaciones de un tsv espectros experimentales de la superposición en " "la parcela." #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Importar ..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Ajuste de color ..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Spectra importados:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Exportar..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Antecedentes:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "Espectros calculados:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "Tamaño de la fuente:" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "Anchura de la línea:" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Exportar datos" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Cerrar" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&Opciones…" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Controles:\n" "Doble izquierda, haz clic en Restaurar predeterminados eje límites\n" "Haga clic derecho + arrastrar: Mover parcela\n" "Medio haga clic + arrastrar: Zoom a la región\n" "Rueda de desplazamiento: Zoom a cursor\n" "Nota: Hay saltos de línea aquí. Cada uno representa un salto de línea. " "Iniciar una nueva línea en la posición equivalente en la traducción." #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "&Carga de datos ..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Calidad: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Muy Bajo" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Bajo" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Medio" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Alto" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Muy Alto" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "Visualizar" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "Configurar" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Crear Superficies" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Superficie:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alfa" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Colorear por:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "Potencial Electrostático" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolución:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Valor de la Isosuperficie:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "Suavizado:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Suave" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "Duro" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calcular" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molécula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Átomos simétricamente equivalentes:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Bloquear Simetría" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operaciones" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Elementos de simetría:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Subgrupos" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Subgrupos:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolerancia:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Ajustado" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normal" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Ligero" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Muy Ligero" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Detectar Simetría" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "Centros" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "Carga Formal:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "0" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "+1" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "+2" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "+3" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "+4" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "+5" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "+6" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "+7" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "Coordinación:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: Octaédrica" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: Lineal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: Lineal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: Trigonal Plana" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: Tetraédrica" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: Plano-cuadrada" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: Bipirámide Trigonal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: Piramidal Cuadrada" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: Prisma Trigonal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: Bipirámide Pentagonal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: Antiprisma Cuadrado" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "Ligandos" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "Tipo:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "Monodentado" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "Bidentado" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "Tridentado" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "Tetradentado" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "Hexadentado" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "Háptico" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "Desde el Portapapeles" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "Ligando:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Grupos" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "Grupo:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "amida" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "carboxilato" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "éster" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "etileno" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "Acetileno" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "nitro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "fenilo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "fosfato" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "sulfonato" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Modos Vibracionales" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitud:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "Comenzar Animación" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "Detener Animación" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Banda de Yaehmop" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Valor mínimo de y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" "

      El nivel de Fermi debe conocerse antes de marcar esta " "casilla. Puede descubrir el nivel de Fermi realizando un cálculo de densidad " "de estados y mostrando los datos (estará en la parte superior de los datos). " "Además, si se realiza un cálculo de la densidad de estados, el nivel de " "Fermi aquí se establecerá automáticamente a lo que se detectó durante el " "cálculo de la densidad de estados.

      Si se marca esta casilla, asegúrese " "de introducir el nivel de Fermi correcto en la caja numérica de la derecha.

      Por defecto: desactivado

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "¿Mostrar el nivel de Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" "

      ¿Ajustar las energías para que el nivel de Fermi " "corresponda a cero? Solo disponible si se muestra el nivel de Fermi.


      Por defecto: desactivado

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "¿Nivel de Fermi en cero?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "Número de puntos k que conectan con puntos k especiales:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Puntos k especiales" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Valor máximo de y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "

      Nivel de Fermi

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" "

      Introducir puntos k especiales tales como:

      L 0.5 " "0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      Esto es, <" "símbolo> <x> <y> <z> donde x, y, y z son coordenadas " "espaciales recíprocas fraccionales. Se dibujarán líneas conectando los " "puntos k del gráfico en el orden en que sean introducidos. Por favor, tenga " "en cuenta que la orientación de la celda puede afectar a la localización de " "estos puntos espaciales recíprocos.

      Si el grupo espacial del cristal " "ha sido determinado o establecido, los puntos k especiales serán completados " "automáticamente con los puntos de alta simetría de la celda primitiva para " "ese grupo espacial. Hay algunos grupos espaciales con puntos de alta " "simetría diferentes dependiendo de la rejilla (por ejemplo un > b o un " "< b) - esto se tiene en cuenta automáticamente.

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" "

      Introduzca el número de puntos k que conectarán los " "puntos k especiales. Más puntos k suavizarán el gráfico, pero el cálculo " "puede llevar más tiempo.

      Por defecto: 40

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" "

      ¿Limitar el rango «y» en el trazado?

      Por " "defecto: desactivado

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "¿Limitar el rango «y»?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" "

      El número de dimensiones periódicas.


      Si se establece en 1, el material será periódico a lo largo vector A " "del cristal.


      Si se establece en 2, el material será " "periódico a lo largo de los vectores A y B del cristal.


      Si " "se establece en 3, el material será periódico a lo largo de los vectores A, " "B y C del cristal.


      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Número de Dimensiones:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "¿Mostrar la Entrada de Yaehmop?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Andres Montejo Martinez,DiegoJ,Edgardo Fredz," "Enterhase,Feder Sáiz,Federico Vera,Gabriel Ruiz,Geoff Hutchison,Gothmog," "Javier García Díaz,Luis J. Claros,Pablo Catarecha,Rogelio Castillo A.," "cocoloco, ,Launchpad Contributions:,Andres Montejo Martinez,DiegoJ,Edgardo " "Fredz,Enterhase,Feder Sáiz,Federico Vera,Gabriel Ruiz,Geoff Hutchison," "Gothmog,Javier García Díaz,Luis J. Claros,Pablo Catarecha,Rogelio Castillo " "A.,cocoloco, ,Launchpad Contributions:,Avogadro Team,niniocompu, ,Launchpad " "Contributions:,Alejandro Del Rincón,Angel Herráez,Ariel Cabral,Avogadro Team," "DiegoJ,DiegoSuarez uy,Edgardo Fredz,FJModrego,Feder Sáiz,Francisco J. Aviles " "Noreña,Geoff Hutchison,Mauro de Carvalho,Nicolás M. Zahlut,Victor Herrero," "memaljo,niniocompu, ,Launchpad Contributions:,Alejandro Del Rincón,Angel " "Herráez,Ariel Cabral,Avogadro Team,Daniel Ferreira,DiegoJ,DiegoSuarez uy," "Edgardo Fredz,FJModrego,Feder Sáiz,Francisco J. Aviles Noreña,Geoff " "Hutchison,Mauro de Carvalho,Nicolás M. Zahlut,Victor Herrero,memaljo," "niniocompu, ,Launchpad Contributions:,Alejandro Del Rincón,Angel Herráez," "Ariel Cabral,Avogadro Team,Daniel Ferreira,DiegoJ,DiegoSuarez uy,Edgardo " "Fredz,FJModrego,Feder Sáiz,Francisco J. Aviles Noreña,Geoff Hutchison,Mauro " "de Carvalho,Nicolás M. Zahlut,Victor Herrero,memaljo,niniocompu, ,Launchpad " "Contributions:,Alejandro Del Rincón,Angel Herráez,Ariel Cabral,Avogadro Team," "Daniel Ferreira,DiegoJ,DiegoSuarez uy,Edgardo Fredz,FJModrego,Feder Sáiz," "Francisco J. Aviles Noreña,Geoff Hutchison,Mauro de Carvalho,Nicolás M. " "Zahlut,Victor Herrero,memaljo,niniocompu, ,Launchpad Contributions:," "Alejandro Del Rincón,Angel Herráez,Ariel Cabral,Avogadro Team,Daniel " "Ferreira,DiegoJ,DiegoSuarez uy,Edgardo Fredz,FJModrego,Feder Sáiz,Francisco " "J. Aviles Noreña,Geoff Hutchison,JoseRoberto,Mauro de Carvalho,Nicolás M. " "Zahlut,Victor Herrero,memaljo,niniocompu, ,Launchpad Contributions:," "Alejandro Del Rincón,Angel Herráez,Ariel Cabral,Avogadro Team,Daniel " "Ferreira,DiegoJ,DiegoSuarez uy,Edgardo Fredz,FJModrego,Feder Sáiz,Francisco " "J. Aviles Noreña,Geoff Hutchison,JoseRoberto,Mauro de Carvalho,Monkey," "Nicolás M. Zahlut,Victor Herrero,memaljo,niniocompu, ,Launchpad " "Contributions:,Alejandro Del Rincón,Angel Herráez,Ariel Cabral,Avogadro Team," "Daniel Ferreira,DiegoJ,DiegoSuarez uy,Edgardo Fredz,FJModrego,Feder Sáiz," "Francisco J. Aviles Noreña,Geoff Hutchison,JoseRoberto,Mauro de Carvalho," "Monkey,Nicolás M. Zahlut,Victor Herrero,memaljo,niniocompu, ,Launchpad " "Contributions:,Alejandro Del Rincón,Angel Herráez,Ariel Cabral,Avogadro Team," "Daniel Ferreira,DiegoJ,DiegoSuarez uy,Edgardo Fredz,FJModrego,Feder Sáiz," "Francisco J. Aviles Noreña,Geoff Hutchison,JoseRoberto,Mauro de Carvalho," "Maximiliano,Miguel Valdiri Badillo,Monkey,Nicolás M. Zahlut,Victor Herrero," "memaljo,niniocompu, ,Launchpad Contributions:,Alejandro Del Rincón,Angel " "Herráez,Ariel Cabral,Avogadro Team,Daniel Ferreira,DiegoJ,DiegoSuarez uy," "Edgardo Fredz,FJModrego,Feder Sáiz,Fitoschido,Francisco J. Aviles Noreña," "Geoff Hutchison,JoseRoberto,Lu,Mauro de Carvalho,Maximiliano,Miguel Valdiri " "Badillo,Monkey,Nicolás M. Zahlut,Victor Herrero,memaljo,niniocompu, ," "Launchpad Contributions:,Adolfo Jayme,Alejandro Del Rincón,Alejandro Moulia " "Cap Saint Jean,Angel Herráez,Ariel Cabral,Avogadro Team,Daniel Ferreira," "DiegoJ,DiegoSuarez uy,Dj Dracaufeu,Edgardo Fredz,Eduardo Alberto Calvo," "Eduardo Echeverria,FJModrego,Feder Sáiz,Francisco J. Aviles Noreña,Geoff " "Hutchison,Gróver Adán Tapia Domínguez,Jellby,Jose Gutierrez,JoseRoberto," "LinuxNerdo,Lu,Maximiliano,Miguel de Dios,Monkey,Nicolás M. Zahlut,Pablo de " "Castro,Paco Molinero,Rogelio Meza Torres,Victor Herrero,memaljo,niniocompu, ," "Launchpad Contributions:,Adolfo Jayme,Alejandro Del Rincón,Alejandro Moulia " "Cap Saint Jean,Angel Herráez,Ariel Cabral,Avogadro Team,Daniel Ferreira," "DiegoJ,DiegoSuarez uy,Dj Dracaufeu,Edgardo Fredz,Eduardo Alberto Calvo," "Eduardo Echeverria,FJModrego,Feder Sáiz,Francisco J. Aviles Noreña,Geoff " "Hutchison,Gróver Adán Tapia Domínguez,Jellby,Jose Gutierrez,JoseRoberto," "LinuxNerdo,Lu,Maximiliano,Miguel de Dios,Monkey,Nicolás M. Zahlut,Pablo de " "Castro,Paco Molinero,Rogelio Meza Torres,Victor Herrero,memaljo,niniocompu, ," "Launchpad Contributions:,Adolfo Jayme,Alejandro Del Rincón,Alejandro Moulia " "Cap Saint Jean,Angel Herráez,Ariel Cabral,Avogadro Team,Daniel,DiegoJ," "DiegoSuarez uy,Dj Dracaufeu,Edgardo Fredz,Eduardo Alberto Calvo,Eduardo " "Echeverria,FJModrego,Feder Sáiz,Francisco J. Aviles Noreña,Geoff Hutchison," "Gróver Adán Tapia Domínguez,Jellby,Jose Gutierrez,JoseRoberto,LinuxNerdo,Lu," "Maximiliano,Miguel de Dios,Monkey,Nicolás M. Zahlut,Pablo de Castro,Paco " "Molinero,Rogelio Meza Torres,Victor Herrero,memaljo,niniocompu" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,Nathan_chud@hotmail.com,diegojromerolopez@gmail.com,medeshago@gmail.com," "patricio.oshee@gmail.com,federsaiz@googlemail.com,,debianmaster@gmail." "com,,,,,pczoido@gmail.com,,jalvarezrom@gmail.com,,,Nathan_chud@hotmail.com," "diegojromerolopez@gmail.com,medeshago@gmail.com,patricio.oshee@gmail.com," "federsaiz@googlemail.com,,debianmaster@gmail.com,,,,,pczoido@gmail.com,," "jalvarezrom@gmail.com,,,avogadro-devel@lists.sourceforge.net,,,,," "aherraez@users.sourceforge.net,,avogadro-devel@lists.sourceforge.net," "diegojromerolopez@gmail.com,jdiegosuarez@hotmail.es,medeshago@gmail.com,," "federsaiz@googlemail.com,fjavilesn@gmail.com,,mauro.dec@gmail.com," "nzahlut@live.com,victorhera@gmail.com,memaljo@yahoo.com,,,,,aherraez@users." "sourceforge.net,,avogadro-devel@lists.sourceforge.net,spanish_nerdo@hotmail." "com,diegojromerolopez@gmail.com,jdiegosuarez@hotmail.es,medeshago@gmail.com,," "federsaiz@googlemail.com,fjavilesn@gmail.com,,mauro.dec@gmail.com," "nzahlut@live.com,victorhera@gmail.com,memaljo@yahoo.com,,,,,aherraez@users." "sourceforge.net,,avogadro-devel@lists.sourceforge.net,spanish_nerdo@hotmail." "com,diegojromerolopez@gmail.com,jdiegosuarez@hotmail.es,medeshago@gmail." "com,,,fjavilesn@gmail.com,,mauro.dec@gmail.com,nzahlut@live.com," "victorhera@gmail.com,memaljo@yahoo.com,,,,,aherraez@users.sourceforge.net,," "avogadro-devel@lists.sourceforge.net,spanish_nerdo@hotmail.com," "diegojromerolopez@gmail.com,jdiegosuarez@hotmail.es,medeshago@gmail.com,,," "fjavilesn@gmail.com,,mauro.dec@gmail.com,nzahlut@live.com,victorhera@gmail." "com,memaljo@yahoo.com,,,,,aherraez@users.sourceforge.net,,avogadro-" "devel@lists.sourceforge.net,spanish_nerdo@hotmail.com," "diegojromerolopez@gmail.com,jdiegosuarez@hotmail.es,medeshago@gmail.com,,," "fjavilesn@gmail.com,,,mauro.dec@gmail.com,nzahlut@live.com,victorhera@gmail." "com,memaljo@yahoo.com,,,,,aherraez@users.sourceforge.net,,avogadro-" "devel@lists.sourceforge.net,spanish_nerdo@hotmail.com," "diegojromerolopez@gmail.com,jdiegosuarez@hotmail.es,medeshago@gmail.com,,," "fjavilesn@gmail.com,,,mauro.dec@gmail.com,,nzahlut@live.com,victorhera@gmail." "com,memaljo@yahoo.com,,,,,aherraez@users.sourceforge.net,,avogadro-" "devel@lists.sourceforge.net,spanish_nerdo@hotmail.com," "diegojromerolopez@gmail.com,jdiegosuarez@hotmail.es,medeshago@gmail.com,,," "fjavilesn@gmail.com,,,mauro.dec@gmail.com,monkey.libre@gmail.com," "nzahlut@live.com,victorhera@gmail.com,memaljo@yahoo.com,,,,,aherraez@users." "sourceforge.net,,avogadro-devel@lists.sourceforge.net,spanish_nerdo@hotmail." "com,diegojromerolopez@gmail.com,jdiegosuarez@hotmail.es,medeshago@gmail." "com,,,fjavilesn@gmail.com,,,mauro.dec@gmail.com,meilan@adinet.com.uy," "catastro1@tutopia.com,monkey.libre@gmail.com,nzahlut@live.com," "victorhera@gmail.com,memaljo@yahoo.com,,,,,aherraez@users.sourceforge.net,," "avogadro-devel@lists.sourceforge.net,spanish_nerdo@hotmail.com," "diegojromerolopez@gmail.com,jdiegosuarez@hotmail.es,medeshago@gmail.com,,," "fitoschido@gmail.com,fjavilesn@gmail.com,,,,mauro.dec@gmail.com," "meilan@adinet.com.uy,catastro1@tutopia.com,monkey.libre@gmail.com," "nzahlut@live.com,victorhera@gmail.com,memaljo@yahoo.com,,,,fitoschido@gmail." "com,,alejandromoulia@gmail.com,aherraez@users.sourceforge.net,,avogadro-" "devel@lists.sourceforge.net,spanish_nerdo@hotmail.com," "diegojromerolopez@gmail.com,jdiegosuarez@hotmail.es,djdracaufeu@hotmail.com," "medeshago@gmail.com,,,,,fjavilesn@gmail.com,,grovertapia@hotmail.com,,joseb." "gutierrez@gmail.com,,,,meilan@adinet.com.uy,tres.14159@gmail.com,monkey." "libre@gmail.com,nzahlut@live.com,,paco@byasl.com,,victorhera@gmail.com," "memaljo@yahoo.com,,,,fitoschido@gmail.com,,alejandromoulia@gmail.com," "aherraez@users.sourceforge.net,,avogadro-devel@lists.sourceforge.net," "spanish_nerdo@hotmail.com,diegojromerolopez@gmail.com,jdiegosuarez@hotmail." "es,djdracaufeu@hotmail.com,medeshago@gmail.com,,,,,fjavilesn@gmail.com,," "grovertapia@hotmail.com,,joseb.gutierrez@gmail.com,,,,meilan@adinet.com.uy," "tres.14159@gmail.com,monkey.libre@gmail.com,nzahlut@live.com,,paco@byasl." "com,,victorhera@gmail.com,memaljo@yahoo.com,,,,,,alejandromoulia@gmail.com," "aherraez@users.sourceforge.net,,avogadro-devel@lists.sourceforge.net," "spanish_nerdo@hotmail.com,diegojromerolopez@gmail.com,jdiegosuarez@hotmail." "es,djdracaufeu@hotmail.com,medeshago@gmail.com,,,,,fjavilesn@gmail.com,," "grovertapia@hotmail.com,,joseb.gutierrez@gmail.com,,,,meilan@adinet.com.uy," "tres.14159@gmail.com,monkey.libre@gmail.com,nzahlut@live.com,,paco@byasl." "com,,victorhera@gmail.com,memaljo@yahoo.com," #~ msgid "eV" #~ msgstr "eV" #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "Carga Parcial" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Herramienta de Manipulación Centrada en Enlaces \n" #~ "\n" #~ "Botón Izquierdo del Ratón: \tPresionar y arrastrar para rotar la vista.\n" #~ "Botón Central del Ratón: \tPresionar y arrastrar para acercar o alejar. \n" #~ "Botón Derecho del Ratón: \tPresionar y arrastrar para mover la vista. \n" #~ "Doble Clic: \t Restablecer la vista. \n" #~ "\n" #~ "Clic Izquierdo y Arrastrar sobre un Enlace para establecer el Plano de " #~ "Manipulación: \n" #~ "Clic izquierdo y Arrastrar uno de los Átomos del Enlace para cambiar el " #~ "ángulo\n" #~ "Clic derecho y Arrastrar uno de los Átomos del Enlace de cambiar la " #~ "longitud" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Herramienta de dibujo\n" #~ "\n" #~ "Botón Izquierdo del Ratón: \tPresionar y Arrastrar para crear Átomos y " #~ "Enlaces\n" #~ "Botón Derecho del Ratón: \tBorrar Átomo" #~ msgid "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Herramienta de Etiquetado de Átomos\n" #~ "\n" #~ "Botón Izquierdo del Ratón:\tPresionar sobre los Átomos para añadir " #~ "Etiquetas Personalizadas" #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate atoms.\n" #~ msgstr "" #~ "Herramienta de manipulación\n" #~ "\n" #~ "Botón ratón izquierdo: \tHaga clic y arrastre para mover los átomos\n" #~ "Botón ratón derecho: \tHaga clic y arrastre para girar los átomos.\n" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Herramienta de medición\n" #~ "\n" #~ "Botón Izquierdo del Ratón: \tSeleccione hasta cuatro Átomos.\n" #~ "\tLas distancias se miden entre 1-2 y 2-3\n" #~ "\tEl ángulo se mide entre 1-3 usando 2 como punto común\n" #~ "\tEl ángulo diedro se mide entre 1-2-3-4\n" #~ "Botón Derecho del Ratón: \tReinicia las mediciones." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Herramienta de Navegación\n" #~ "\n" #~ "Botón Izquierdo del Ratón:\tPresionar y arrastrar para rotar la vista.\n" #~ "Botón Central del Ratón:\tPresionar y arrastrar para acercar o alejar.\n" #~ "Botón Derecho del Ratón:\tPresionar y arrastrar para mover la vista.\n" #~ msgid "Animation Tool" #~ msgstr "Herramienta de Animación" #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Herramienta de Selección\n" #~ "\n" #~ "Botón Izquierdo del Ratón: \tPresionar para seleccionar átomos " #~ "individuales, residuos, o fragmentos\n" #~ "\tArrastrar para seleccionar un grupo de átomos\n" #~ "Botón Derecho del ratón: \tPresionar fuera de la molécula para limpiar la " #~ "selección\n" #~ "Utilizar «Ctrl» para alternar a la selección y «shift» para añadir a la " #~ "selección.\n" #~ "Doble Clic: \tSeleccionar un fragmento completo." #~ msgid "" #~ "Template Tool\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "Herramienta de la Plantilla\n" #~ "\n" #~ "Insertar fragmentos, incluyendo centros metálicos.\n" #~ "Seleccionar un elemento y una geometría de coordinación y presionar para " #~ "insertar un fragmento.\n" #~ "\n" #~ "Seleccionar un ligando o grupo funcional y presionar sobe un átomo de " #~ "hidrógeno para unirlo." #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals (AO)" #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Herramienta de Manipulación\n" #~ "\n" #~ "Botón Izquierdo del Ratón:\tPresionar y arrastrar para mover átomos\n" #~ "Botón Derecho del Ratón:\tPresionar y arrastrar para rotar los átomos " #~ "seleccionados.\n" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "" #~ "Visualización sencilla de esferas de Van der Waals con oclusión ambiental." #~ msgid "Geometry" #~ msgstr "Geometría" #~ msgid "Add Unit Cell" #~ msgstr "Añadir Celda Unidad" #~ msgid "By Atomic Index" #~ msgstr "Por Índice Atómico" #~ msgid "By Distance" #~ msgstr "Por Distancia" #~ msgid "Select Water…" #~ msgstr "Seleccionar Agua…" #~ msgid "&Copy" #~ msgstr "&Copiar" #~ msgid "Molecule Name:" #~ msgstr "Nombre de la Molécula:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Peso Molecular (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Fórmula Química:" #~ msgid "Number of Atoms:" #~ msgstr "Número de Átomos:" #~ msgid "Number of Bonds:" #~ msgstr "Número de Enlaces:" #~ msgid "TODO" #~ msgstr "TODO" #~ msgid "Line Size:" #~ msgstr "Tamaño de la línea:" #~ msgid "Optimize" #~ msgstr "Optimizar" #~ msgid "In." #~ msgstr "In." #~ msgid "El." #~ msgstr "El." #~ msgid "El.&No." #~ msgstr "El.&No." #~ msgid ", " #~ msgstr ", " #~ msgid "ABPS Input (*.in)" #~ msgstr "Archivo de Entrada APBS (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "Seleccionar el intérprete de Python utilizado para ejecutar secuencias de " #~ "comandos generadores de entradas.\n" #~ "Avogadro debe ser reiniciado para que los cambios tengan efecto." #~ msgid "Set Python Path…" #~ msgstr "Establecer Ruta de Python…" #~ msgid "Fragment…" #~ msgstr "Fragmentar…" #~ msgid "Functional Groups" #~ msgstr "Grupos Funcionales" #~ msgid "Help..." #~ msgstr "Ayuda…" #~ msgid "Submit Calculation..." #~ msgstr "Enviar Cálculos…" #~ msgid "Save File..." #~ msgstr "Guardar Archivo…" #~ msgid "Download Plugins..." #~ msgstr "Descargar Complementos…" #~ msgid "Record Movie..." #~ msgstr "Grabar Película…" #~ msgid "" #~ "The file name contains invalid characters. Please choose another file " #~ "name." #~ msgstr "" #~ "El nombre del archivo contiene caracteres no válidos. Por favor, elegir " #~ "otro nombre para el archivo." #~ msgid "Other..." #~ msgstr "Otro…" #~ msgid "Client server operations." #~ msgstr "Operaciones cliente servidor." #~ msgid "S&erver" #~ msgstr "&Servidor" #~ msgid "Connection failed" #~ msgstr "Conexión fallida" #, qt-format #~ msgid "The connection to %2:%3 failed: connection refused." #~ msgstr "La conexión a %2:%3 falló: conexión rechazada." #~ msgid "Remote service error" #~ msgstr "Error de servicio remoto" #, qt-format #~ msgid "Connection failed with: %1" #~ msgstr "La conexión falló con: %1" #, qt-format #~ msgid "clientServer/%1:%2/lastOpenDir" #~ msgstr "Cliente-Servidor/%1:%2/último directorio abierto" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*.%1" #~ msgid "Client server" #~ msgstr "Cliente-Servidor" #~ msgid "Connection refused" #~ msgstr "Conexión rechazada" #, qt-format #~ msgid "Connection to %2:%3 succeeded!" #~ msgstr "¡Conexión a %2:%3 exitosa!" #~ msgid "Filename" #~ msgstr "Nombre del archivo" #~ msgid "Formula" #~ msgstr "Fórmula" #~ msgid "InChIKey" #~ msgstr "InChIKey" #~ msgid "&MongoChem" #~ msgstr "&MongoChem" #~ msgid "Mongo Chem Server" #~ msgstr "Servidor MongoChem" #~ msgid "Interface with Mongo Chem Server." #~ msgstr "Interfaz con el Servidor MongoChem." #~ msgid "YAeHMOP Band Structure" #~ msgstr "Estructura de Bandas de YAeHMOP" #~ msgid "Server settings" #~ msgstr "Configuración del Servidor" #~ msgid "&Hostname:" #~ msgstr "&Nombre del hospedador:" #~ msgid "Port" #~ msgstr "Puerto" #~ msgid "Test C&onnection..." #~ msgstr "Probar &Conexión…" #~ msgid "Look in:" #~ msgstr "Mirar en:" #~ msgid "Navigate Back" #~ msgstr "Navegar hacia atrás" #~ msgid "Navigate Forward" #~ msgstr "Navegar hacia delante" #~ msgid "Navigate Up" #~ msgstr "Navegar hacia arriba" #~ msgid "File name:" #~ msgstr "Nombre de archivo:" #~ msgid "OK" #~ msgstr "Aceptar" #~ msgid "Files of type:" #~ msgstr "Archivos del tipo:" #~ msgid "Cancel" #~ msgstr "Cancelar" #~ msgid "MongoChem Config" #~ msgstr "Configuración de MongoChem" #~ msgid "http://localhost:8080/api/v1" #~ msgstr "http://localhost:8080/api/v1" #~ msgid "API Key:" #~ msgstr "Clave API:" #~ msgid "Base URL:" #~ msgstr "URL Base:" #~ msgid "Config" #~ msgstr "Configurar" #~ msgid "Upload" #~ msgstr "Subir/Cargar" #~ msgid "Docker" #~ msgstr "Estibador" #~ msgid "Singularity" #~ msgstr "Singularidad" #~ msgid "Container:" #~ msgstr "Contenedor:" #~ msgid "Image:" #~ msgstr "Imagen:" #~ msgid "openchemistry/psi4:latest" #~ msgstr "openchemistry/psi4:latest" #~ msgid "" #~ "\n" #~ "\n" #~ "

      {

      \n" #~ "

      \"theory\": \"dft\",

      \n" #~ "

      \"functional\": \"b3lyp\",

      \n" #~ "

      \"basis\": \"6-31g\",

      \n" #~ "

      \"task\": \"energy\"

      \n" #~ "

      }

      " #~ msgstr "" #~ "\n" #~ "\n" #~ "

      {

      \n" #~ "

      «toería»: \"dft\",

      \n" #~ "

      «funcional»: \"b3lyp\",

      \n" #~ "

      «base»: \"6-31g\",

      \n" #~ "

      «tarea»: \"energy\"

      \n" #~ "

      }

      " #~ msgid "Input Parameters:" #~ msgstr "Parámetros de Entrada:" #~ msgid "Element & Ordinal" #~ msgstr "Elemento y Ordinal" #~ msgid "'c' coordinate." #~ msgstr "'c' coordenada." #~ msgid "All files (*);;" #~ msgstr "Todos los archivos (*);;" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Rombohedral" #~ msgid "Layer" #~ msgstr "Capa" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molécula" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "No hay molecula seleccionada" #, qt-format #~ msgid "%1: File exists and is not writable." #~ msgstr "%1: El archivo existe y no permite escritura." #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Cristal…" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Añadir Hidrógenos para el pH..." #~ msgid "Atom Properties..." #~ msgstr "Propiedades Atómicas..." #~ msgid "Bond Properties..." #~ msgstr "Propiedades de enlace..." #~ msgid "Angle Properties..." #~ msgstr "Propiedades del Ángulo..." #~ msgid "Torsion Properties..." #~ msgstr "Propiedades de Torsión..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Propiedades de la Molécula." #~ msgid "Create Surfaces..." #~ msgstr "Crear superficies..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Simetría" #~ msgid "Insert Fragment..." #~ msgstr "Insertar Fragmento..." #~ msgid "Theory:" #~ msgstr "Teoría:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Distancia (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Rotable" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Confórmero %1\n" #~ "Distancia %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Confórmero %1\n" #~ "Ángulo %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Ángulo %1" #, fuzzy #~ msgid "Angle" #~ msgstr "Ángulo:" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Confórmero %1\n" #~ "Torsión %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsión %1" #~ msgid "Torsion" #~ msgstr "Torsión" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energía (kJ/mol)" #~ msgid "Yes" #~ msgstr "Sí" #~ msgid "No" #~ msgstr "No" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Generador de Entrada..." #, fuzzy #~ msgid "Import" #~ msgstr "Importar" #~ msgid "Insert SMILES" #~ msgstr "insertar Sonrisas" #~ msgid "Insert SMILES fragment:" #~ msgstr "Insertar fragmento SONRISAS" #~ msgid "Insert Crystal" #~ msgstr "Insertar Cristal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "" #~ "Insertar fragmentos moleculares para la construcción de grandes moléculas" #~ msgid "E&xtensions" #~ msgstr "E&xtensiones" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimizar Geometría" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Optimización de geometría" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Añadir hidrógenos" #, fuzzy #~ msgid "Stopped" #~ msgstr "Parar" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Superficies" #~ msgid "Color by Index" #~ msgstr "Color por índice" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Color por índice (rojo, naranja, amarillo, verde, azul, violeta)." #~ msgid "Color by Partial Charge" #~ msgstr "Color por carga parcial" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "Color por carga atómica parcial (azul = positiva, rojo = negativa)." #~ msgid "Custom Color:" #~ msgstr "Color personalizado:" #~ msgid "Set custom colors for objects" #~ msgstr "Establecer colores personalizados para los objetos" #~ msgid "Color by Distance" #~ msgstr "Color por distancia" #~ msgid "Color by distance from the first atom." #~ msgstr "Color por distancia desde el primer átomo." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Color por elemento (carbono = gris, oxígeno = rojo)" #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Color por residuo (tipo aminoácido, hidrofobiia, ...)" #~ msgid "SMARTS Pattern:" #~ msgstr "Patrón SMARTS" #~ msgid "Highlight Color:" #~ msgstr "Resaltar color:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Color por Patrón SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "" #~ "Resaltar características particulares que se ajustan a patrones SMARTS" #~ msgid "Ununtrium" #~ msgstr "Ununtrio" #~ msgid "Ununpentium" #~ msgstr "Ununpentio" #~ msgid "Ununseptium" #~ msgstr "Ununseptio" #~ msgid "Ununoctium" #~ msgstr "Ununoctio" #~ msgid "Engines" #~ msgstr "Motores" #~ msgid "Axes" #~ msgstr "Ejes" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Representa las primitivas usando esferas (átomos) y palos (enlaces)" #~ msgid "Hydrogen Bond" #~ msgstr "Enlace de Hidrógeno" #~ msgid "Renders hydrogen bonds" #~ msgstr "Representa enlaces de hidrógeno" #~ msgid "Select Atom Labels Color" #~ msgstr "Seleccionar el color de las etiquetas de los átomos" #~ msgid "Select Bond Labels Color" #~ msgstr "Seleccionar el color de las etiquetas de los enlaces" #~ msgid "Select Bond Labels Font" #~ msgstr "Seleccionar la tipografía de las etiquetas de los enlaces" #~ msgid "Polygon" #~ msgstr "Polígono" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Dibuja átomos como tetraedros, octaedros y otros polígonos" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Hace proteína troncales como cintas" #~ msgid "Ring" #~ msgstr "Anillo" #~ msgid "Renders rings with colored planes" #~ msgstr "Hace con anillos de colores planos" #~ msgid "Simple Wireframe" #~ msgstr "Alambre simple" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Hace bonos cables (líneas), ideal para grandes moléculas" #~ msgid "Van der Waals Spheres" #~ msgstr "Esferas de Van der Waals" #~ msgid "Stick" #~ msgstr "Varilla" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Densidad Electrónica, isosuperficie = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosuperficie = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Representa enlaces como alambres (líneas), ideal para (bio)moléculas muy " #~ "grandes" #~ msgid "Trajectory files" #~ msgstr "Archivos Trajectory" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Archivos DL-POLY HISTORY" #~ msgid "Open Trajectory File" #~ msgstr "Abrir archivo Trajectory" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Añadiendo complemento .avi" #~ msgid "Animation..." #~ msgstr "Animación..." #~ msgid "Cannot read file format of file %1." #~ msgstr "No se puede leer el formato del archivo %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Falló lectura del archivo de trayectoria %1." #~ msgid "Must specify a valid .avi file name" #~ msgstr "El nombre del archivo .avi ha de ser válido" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "GL artilugio no se inicializa correctamente, a fin de salvar de vídeo" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Nombre de archivo de vídeo no válido. Se debe incluir la ruta completa al " #~ "directorio" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Nombre de archivo de vídeo no válido. Se debe incluir la ruta completa al " #~ "directorio y el nombre, acabado en .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Formato de archivo no reconocido: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animar trayectorias, reacciones y vibraciones." #~ msgid "Cartesian Editor" #~ msgstr "Editor Cartesiano" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Sin definir una celda para la molécula -- no usar coordenadas decimales." #~ msgid "Cartesian Editor..." #~ msgstr "Editor Cartesiano..." #~ msgid "Cartesian editor" #~ msgstr "Editor cartesiano" #~ msgid "Number of atoms: %1" #~ msgstr "Número de átomos: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Número de enlaces rotables: %1" #~ msgid "Add constraint" #~ msgstr "Añadir reducción" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Tu molécula debe contener a lo menos un átomo para añadir una fuerza." #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "La molécula debe contener al menos dos átomos para añadir una restricción " #~ "de enlace." #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Tu molécula debe contener a lo menos tres átomos para añadir una fuerza " #~ "angular ." #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Tu molécula debe contener a lo menos cuatro átomos para añadir una fuerza " #~ "de torsión" #~ msgid "&Crystallography" #~ msgstr "&Cristalografía" #~ msgid "&Reduce" #~ msgstr "&Reducir" #~ msgid "&Length Unit" #~ msgstr "Unidad de &longitud" #~ msgid "&Angle Unit" #~ msgstr "Unidad de á&ngulo" #~ msgid "Coordinate &Preservation" #~ msgstr "Coordinar &preservación" #~ msgid "&Matrix Display" #~ msgstr "&Mostrar Matriz" #~ msgid "Hide &Editors" #~ msgstr "Ocultar &editores" #~ msgid "Show &Editors" #~ msgstr "Mostrar &editores" #~ msgid "Hide &Property Display" #~ msgstr "Ocultar &Propiedades de Pantalla" #~ msgid "Show &Property Display" #~ msgstr "Mostrar &Propiedades de pantalla" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Tipo de enrejado: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Espacio de grupo: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Volumen de celda: %L1%2" #~ msgid "Undefined" #~ msgstr "No definido" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triclínico" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoclinico" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ortorrómbico" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonal" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Cúbico" #~ msgid "Paste Crystal" #~ msgstr "Pegar Crystal" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Niggli-reducción fallado. La estructura de entrada de red que se confunde " #~ "el algoritmo de reducción de Niggli. Trate de hacer una pequeña " #~ "perturbación (aprox. 2 órdenes de magnitud menor que la tolerancia) a las " #~ "celosías de entrada y vuelva a intentarlo." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "No se ha podido reducir la celda después de 1000 iteraciones del " #~ "algoritmo de reducción. Deteniendo" #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Rotar a Orientación Estándar" #~ msgid "&Slab..." #~ msgstr "&Slab" #~ msgid "Perceive Space&group..." #~ msgstr "Percibir el espacio y el grupo ..." #~ msgid "Set &Spacegroup..." #~ msgstr "Asignar Grupo Espacial" #~ msgid "&Fill Unit Cell" #~ msgstr "Rellenar Celda Unidad" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Rellenar la unidad usando el grupo espacial actual" #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Reducir a unidad asimétrica" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "" #~ "Retire átomos en posiciones equivalentes (inverso del relleno de Unidad " #~ "celular)." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Dar si&metría al cristal" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Reducir Celda (&Primitiva)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "Nanómetro" #~ msgid "&Picometer" #~ msgstr "Picómetro" #~ msgid "&Degree" #~ msgstr "&Grado" #~ msgid "&Radian" #~ msgstr "&Radián" #~ msgid "Display &cartesian coordinates" #~ msgstr "Mostrar coordenadas &cartesianas" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "" #~ "Conservar Coordenadas &Cartesianas Durante la Modificación de la Célula" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "" #~ "Conservar Coordenadas &Fraccionarias Durante la Modificación de la Célula" #~ msgid "Display &cartesian matrix" #~ msgstr "Mostrar matriz &cartesiana" #~ msgid "Display &fractional matrix" #~ msgstr "Mostrar matriz &fraccionaria" #~ msgid "Display as &row vectors" #~ msgstr "Mostrar como vectores en &columna" #~ msgid "Display as &column vectors" #~ msgstr "Mostrar como vectores de &columna" #~ msgid "&Crystal View Options..." #~ msgstr "Y opciones de visualización de cristal ..." #~ msgid "" #~ "

      Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

      Cell can be symmetrized into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

      " #~ msgstr "" #~ "

      La percepción de grupo espacial %1, Símbolo Hall %2, Símbolo de " #~ "Hermann-Mauguin %3.

      La Célula puede ser simetrizada en una " #~ "configuración convensional, ¿desea hacerlo? Acciones que hacen uso de la " #~ "simetría (por ejemplo, el constructor de supercelda) requiere esto.

      " #~ msgid "Set Spacegroup" #~ msgstr "Asignar un grupo de espacio" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "No hay un grupo de espacio asignado para este documento.\n" #~ "\n" #~ "¿Le gustaría asignar un grupo de espacio ahora?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Se ha detectado un grupo de espacio P1 -- no se ha podido hacer simétrico " #~ "este grupo de espacio.\n" #~ "\n" #~ "¿Le gustaría intentar de nuevo con una tolerancia diferente?" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Convertír átomos en celdas" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Reducir a una celda del tipo Niggli" #~ msgid "Crystallography" #~ msgstr "Cristalografía" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Construir y Analizar estructuras periódicas" #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "La entrada no está formateada como uno de\n" #~ "los siguientes formatos soportados:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "Formato VASP\n" #~ msgid "Bad Compostion" #~ msgstr "Composición errónea" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "El campo de las identidades debe contener el mismo número de entradas " #~ "delimitados por espacios como la línea 6 del POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Coordenadas cartesianas" #~ msgid "Fractional Coordinates" #~ msgstr "Coordenadas Fraccionarias" #~ msgid "Set Fractional Coordinates" #~ msgstr "Establecer Coordenadas Fraccionarias" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Establecer Matriz Celular Unitaria" #~ msgid "Set Unit Cell Params" #~ msgstr "Establecer Parámetros de la Célula Unitaria" #~ msgid "Working..." #~ msgstr "Procesando..." #~ msgid "Build" #~ msgstr "Construcción" #~ msgid "No GLWidget?" #~ msgstr "No GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Por favor seleccione uno o más átomos." #~ msgid "Trajectory..." #~ msgstr "Trayectoria..." #~ msgid "Open chemical file format" #~ msgstr "Abrir formato de archivo químico" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Archivos químicos (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Abrir archivo de parámetros" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Archivos químicos (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importar trayectoria" #~ msgid "Import trajectory files" #~ msgstr "Importar archivos de trayectoria" #~ msgid "Calculate Energy" #~ msgstr "Calcular Energía" #~ msgid "Conformer Search..." #~ msgstr "Búsqueda de Confórmeros..." #~ msgid "Constraints..." #~ msgstr "Impedimentos..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "No fue posible establecer la energía potencial para la molécula. " #~ "Cambiando a UFF." #~ msgid "Systematic Rotor Search" #~ msgstr "Búsqueda sistemática de rotores" #~ msgid "Random Rotor Search" #~ msgstr "Búsqueda aleatoria de rotores" #~ msgid "Weighted Rotor Search" #~ msgstr "Búsqueda ponderada de rotores" #~ msgid "ForceField" #~ msgstr "Campo de fuerzas" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimizar y generar moléculas conformers utilizando campos de fuerza " #~ "mecánica molecular" #~ msgid "&Vector Graphics..." #~ msgstr "Gráficos &vectoriales..." #~ msgid "Common vector image formats" #~ msgstr "Formatos de imágenes vectoriales comunes" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Exportación de gráfico de vector" #~ msgid "Change H to Methyl" #~ msgstr "Cambiar H a Metilo" #~ msgid "H to Methyl" #~ msgstr "H a metilo" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Hidrógenos transformar a los grupos metilo" #~ msgid "Add or remove hydrogens" #~ msgstr "Agregar o quitar hidrógenos" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Insertar cadenas de ADN/ARN" #~ msgid "Peptide..." #~ msgstr "Péptido ..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Insertar secuencias Oligopeptide" #~ msgid "Invert Chirality" #~ msgstr "Resolución óptica (Chirality) inversa" #~ msgid "InvertChiral" #~ msgstr "ChiralInverso" #~ msgid "Invert chiral centers" #~ msgstr "Invertir el centro del quiral" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "desconocido" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "(" #~ msgid "Display standard molecular properties." #~ msgstr "Pantalla estándar de propiedades moleculares." #~ msgid "Fetch by chemical name..." #~ msgstr "Buscar por nombre químico" #~ msgid "Fetch from URL..." #~ msgstr "Obtener de URL..." #~ msgid "PDB Entry" #~ msgstr "Entrada de PDB" #~ msgid "PDB entry to download." #~ msgstr "Entrada PDB a descargar." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL de la molécula a ser descargada." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "La molécula especificada no pudo ser cargada: %1" #~ msgid "Network Fetch" #~ msgstr "Obtener de la red" #~ msgid "Fetch molecule files over the network." #~ msgstr "Obtener la molécula a través de la red." #~ msgid "Show Preview" #~ msgstr "Mostrar previsualización" #~ msgid "Hide Preview" #~ msgstr "Ocultar previsualización" #~ msgid "Intensities" #~ msgstr "Intensidades" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Guardar imagen POV-Ray renderizada" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Archivos de imágenes (*.png, *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "No se ha dado un nombre de archivo válido." #~ msgid "Does not compute." #~ msgstr "No computa." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Se solicito la generacion no directa de una imagen usando POV-Ray y " #~ "eliminar el archivo POV-Ray. La imagen no sera salvada. Deseas " #~ "continuar?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Imposible escribir en el archivo %1. Tienes permiso para escribir en ese " #~ "lugar?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray ha fallado al iniciarse." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray ha fallado al iniciarse. Quizás la ruta a su ejecutable no sea la " #~ "correcta." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Crear archivos POV-Ray y generar las imagenes usando la linea de " #~ "comandos en POV-Ray" #~ msgid "Conformer Properties..." #~ msgstr "Propiedades del confórmero..." #~ msgid "Python Terminal" #~ msgstr "Terminal de Python" #~ msgid "pythonTerminalDock" #~ msgstr "Enter string" #~ msgid "Interactive python scripting terminal" #~ msgstr "Terminal interactiva para hacer scripts de python" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Entrada Abinit cubierta del generador de advertencia" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "¿Desea actualizar la vista previa del texto, perdiendo los cambios " #~ "realizados en la entrada Abinit del panel de vista previa?" #~ msgid "Abinit_Input_Deck" #~ msgstr "Espacio de entradas de Abinit" #~ msgid "Abinit Running." #~ msgstr "Ejecutandose Abinit." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Abinit está corriendo. Por favor espere hasta que el cálculo anterior " #~ "termine." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit no está instalado." #~ msgid "The abinit executable cannot be found." #~ msgstr "No se encuentra el ejecutable de abinit." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "abinit no inició. Quizás no está instalado correctaemente." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit no se ejecutó correctamente. Quizás no está instalado " #~ "correctamente." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Generador de alerta del archivo de entrada Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Quiere actualizar la vista previa del texo, perdiendo todos los cambios " #~ "realizados en el archivo de entrada Dalton del panel de previsualizacion?" #~ msgid "QM Matches" #~ msgstr "Aciertos QM" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Selección de EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Selección para mecánica cuántica" #~ msgid "Delete" #~ msgstr "Eliminar" #~ msgid "You must make a selection!" #~ msgstr "¡Debes hacer una selección!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Conversión de SMILES no disponible" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "¡Conversión de formato SMILES no disponible!" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Crear archivos de entrada de la química cuántica GAMESS paquete" #~ msgid "Advanced Settings Changed" #~ msgstr "Ajustes Avanzados Cambiados" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Los Ajustes Avanzados han cambiado.\n" #~ "¿Descartar?" #~ msgid "Advanced Settings Reset" #~ msgstr "Restablecer Ajustes Avanzados" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "¿Estás seguro que deseas restablecer los ajustes avanzados?\n" #~ "¡Todos los cambios se perderán!" #~ msgid "Basic Settings Reset" #~ msgstr "Restablecer Ajustes Básicos" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "¿Estás seguro que deseas restablecer los ajustes básicos?\n" #~ "¡Todos los cambios se perderán!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Alerta del espacio de entrada de GAMESS-Reino Unido" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "¿Le gustaría actualizar el texto preliminar, perdería todos los cambios " #~ "introducidos en el panel de vista previa en la GAMESS-UK?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Cubierta de entrada de GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussian Entrada cubierta Generador Advertencia" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "¿Desea actualizar la vista previa de texto, de perder todos los cambios " #~ "realizados en la cubierta de entrada de Gaussian panel de vista previa?" #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussiano de entrada en cubierta" #~ msgid "Gaussian Running." #~ msgstr "Gaussian calculando." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussián ya está ejecutándose. Espere hasta que el cálculo previo haya " #~ "terminado." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian No Está instalado." #~ msgid "The G03 executable, cannot be found." #~ msgstr "El ejecutable G03 no se ha encontrado." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 no se inició. Quizás no esté instalado correctamente." #~ msgid "Running Gaussian calculation..." #~ msgstr "Ejecutando cálculo gaussiano" #~ msgid "G03 Crashed." #~ msgstr "G03 se ha colgado." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian no se ejecutó correctamente. Quizás no está instalado " #~ "correctamente." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Generador de Advertencias de la Bandeja de Entrada Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "¿Le gustaría actualizar el texto preliminar, perdería todos los cambios " #~ "introducidos en la bandeja de entrada Molpro del panel de vista previa?" #~ msgid "Molpro Input Deck" #~ msgstr "Bandeja de Entrada Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Entrada Mopac Advertencia" #~ msgid "MOPAC Input Deck" #~ msgstr "Bandeja de entrada MOPAC" #~ msgid "MOPAC Running." #~ msgstr "Mopac Atletismo." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "Mopac ya se está ejecutando. Espere hasta que el cálculo anterior ha " #~ "terminado." #~ msgid "MOPAC Not Installed." #~ msgstr "Copiar texto No Mopac instala." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "El Mopac ejecutable, no se puede encontrar." #~ msgid "MOPAC failed to start." #~ msgstr "Mopac Error al iniciar." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "Mopac no comenzó. Tal vez no está instalado correctamente." #~ msgid "Running MOPAC calculation..." #~ msgstr "Correr Mopac cálculo ..." #~ msgid "MOPAC Crashed." #~ msgstr "Mopac estrelló." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Mopac no ejecutarse correctamente. Tal vez no está instalado " #~ "correctamente." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Aviso del generador de entrada para NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "¿Quieres actualizar el texto de vista previa, perdiendo los cambios " #~ "realizados en" #~ msgid "NWChem Input Deck" #~ msgstr "Bloque de entrada de NWChem" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Psi4 Entrada cubierta de generador de alerta" #~ msgid "Psi4 Input Deck" #~ msgstr "Psi4 Entrada cubierta" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem Cubierta de entrada del generador de alerta" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "¿Desea actualizar la vista previa de texto, de perder todos los cambios " #~ "realizados en el Q-Chem de entrada cubierta de panel de vista previa?" #~ msgid "QChem Input Deck" #~ msgstr "Bandeja de Entrada QChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "¿Quieres actualizar el texto de vista previa, perdiendo todos los cambios " #~ "realizados en el panel de vista previa de entrada TeraChem cubierta?" #~ msgid "Select SMARTS..." #~ msgstr "Seleccionar SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Añadir Selección Nombrada..." #~ msgid "SMARTS Selection" #~ msgstr "Selección SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Selección del patrón SMARTS" #~ msgid "There is no current selection." #~ msgstr "No hay una selección activa." #~ msgid "Add Named Selection" #~ msgstr "Añadir Selección Nombrada" #~ msgid "Name cannot be empty." #~ msgstr "El Nombre no puede estar vacío" #~ msgid "There is already a selection with this name." #~ msgstr "Ya hay una selección con este nombre" #~ msgid "Selections" #~ msgstr "Selecciones" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Seleccionar átomos, cadenas, residuos ..." #~ msgid "GLSL Shaders..." #~ msgstr "Sombras GLSL..." #~ msgid "Open a vertex shader source file" #~ msgstr "Abrir un archivo fuente de sombreado de vértices" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Archivos de sombreado de vértices (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Abrir un archivo fuente de sombreado de fragmentos" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Archivos de sombreado de fragmentos (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Abrir un archivo de parámetros de sombreado" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Archivos de parámetros de sombras (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "Sombras GLSL" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Cargar y usar sombreados OpenGL 2.0" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensidad (unidades arb.)" #~ msgid "Density of States (states/cell)" #~ msgstr "Densidad de estados (estados/elemento)" #~ msgid "Density of States (states/atom)" #~ msgstr "Densidad de estados (estados/átomo)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Densidad de estados (estados/electrones de valencia)" #~ msgid "Transmittance (%)" #~ msgstr "Transmitancia (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbancia (%)" #~ msgid "No intensities" #~ msgstr "Sin intensidades" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Los datos de vibración en la molécula que ha cargado no tienen datos de " #~ "intensidad. Intensidades se han fijado a un valor arbitrario para la " #~ "visualización." #~ msgid "Activity" #~ msgstr "Actividad" #~ msgid "X Axis" #~ msgstr "Eje X" #~ msgid "Y Axis" #~ msgstr "Eje Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Ajustes de espectros infrarrojos" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "RMN" #~ msgid "&NMR Spectra Settings" #~ msgstr "Ajustes de espectros &RMN" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS (Densidad de estados)" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV (espectro Ultra-Violeta)" #~ msgid "&UV Settings" #~ msgstr "&Configuraciones UV" #~ msgid "&CD Settings" #~ msgstr "&Configuraciones CD" #~ msgid "&Raman Settings" #~ msgstr "&Configuraciones raman" #~ msgid "No data" #~ msgstr "Sin datos" #~ msgid "Dark" #~ msgstr "Óscuro" #~ msgid "Publication" #~ msgstr "Publicación" #~ msgid "Handdrawn" #~ msgstr "Dibujar a mano" #~ msgid "New Scheme" #~ msgstr "Nuevo esquema" #~ msgid "Confirm Scheme Removal" #~ msgstr "Confirmar la eliminación del esquema" #~ msgid "Really remove current scheme?" #~ msgstr "Desea realment eliminar actual esquema?" #~ msgid "Change Scheme Name" #~ msgstr "Cambiar nombre del esquema" #~ msgid "Enter new name for current scheme:" #~ msgstr "Ingrese nuevo nombre para actual esquema" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Valores separados por tabulador" #~ msgid "Tab Separated Values" #~ msgstr "Valores separados por tabulador" #~ msgid "Comma Separated Values" #~ msgstr "Valores separados por coma" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Tipo de archivo desconocido: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "Datos IR PWscf (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Datos IR Turbomole (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Datos UV de Turbomole (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Datos CD de Turbomole (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Formato de datos" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Formato:" #~ msgid "Load Spectral Data" #~ msgstr "Cargar datos espectrales" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "El CD de datos Turbomole está formateado erróneamente: %1" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Formato de archivo de imagen etiquetado" #~ msgid "Windows Bitmap" #~ msgstr "Mapa de bits de Windows" #~ msgid "Portable Pixmap" #~ msgstr "PPM (archivo mapa de pixeles portatil)" #~ msgid "X11 Bitmap" #~ msgstr "Mapa de bits de X11" #~ msgid "X11 Pixmap" #~ msgstr "XPM (archivo mapa de pixeles X11)" #~ msgid "Save Spectra Image" #~ msgstr "Guardar imagen del espectro" #~ msgid "&Advanced <<" #~ msgstr "&Avanzado <<" #~ msgid "&Advanced >>" #~ msgstr "&Avanzado >>" #~ msgid "&Spectra..." #~ msgstr "Espectros..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Visualizar datos espectrales de cálculos de química cuántica" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Análisis Vibracional" #~ msgid "No vibrational displacements exist." #~ msgstr "No existe desplazamiento vibracional." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "" #~ "Visualizar los modos vibracionales de los cálculos de química cuántica" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Oredenando vibraciones %1 por frecuencia" #~ msgid "Pause" #~ msgstr "Pausa" #~ msgid "Super Cell Builder..." #~ msgstr "Creador de Súper Celda..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Este documento es actualmente una molécula aislada. Necesita crear una " #~ "celda unitaria." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Crear y mostrar súper celdas cristalográficas" #~ msgid "Molecular Orbitals..." #~ msgstr "Orbitas Moleculares..." #~ msgid "Orbitals" #~ msgstr "Orbitales" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Nada" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Densidad electrónica" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Error - tipo no definido" #~ msgid "Calculating VdW Cube" #~ msgstr "Calculando cubo de Van der Waals" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Calculando el OM %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "Superficies potenciales electroestática no estan aún soportadas" #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Calcular orbitales moleculares y otras superficies" #~ msgid "&Nanotube Builder..." #~ msgstr "&Constructor de nanotubos" #~ msgid "Nanotube Builder" #~ msgstr "Constructor de Nanotubos" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Especificaciones de Nanotubos no válida" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "El nanotubo solicitado no puede ser construido por la siguiente razón:\n" #~ "Cualquiera n o m deben ser mayores que 1." #~ msgid "Insert Nanotube" #~ msgstr "Insertar Nanotubo" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Construye nanotubos de carbono de pared sencilla." #~ msgid "Building..." #~ msgstr "Construyendo..." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "GL widget no se inicio para realizar un video" #~ msgid "GL widget has no molecule" #~ msgstr "GL widget no tiene molecula" #~ msgid "Building video " #~ msgstr "Generando vídeo " #~ msgid "Could not run mencoder." #~ msgstr "No se pudo ejecutar mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Establecer relación de aspecto" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "La escena activa de Avogadro tiene %1x%2 píxeles, por lo que su relación " #~ "de aspecto es %3.\n" #~ "Puede mantener este valor si, por ejemplo, pretende usar POV-Ray\n" #~ "para generar una imagen de %4x1000 píxeles, o bien puede introducir " #~ "cualquier otro valor positivo,\n" #~ "por ejemplo 1, si pretende usar POV-Ray para generar una imagen cuadrada, " #~ "como de 1000x1000 píxeles." #~ msgid "Connect" #~ msgstr "Conectar" #~ msgid "Disconnect" #~ msgstr "Desconectar" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Seguimiento Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Seguir movimiento utilizando mandos a distancia de Wii" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Contexto OpenGL inválido.\n" #~ "Puede que algo esté completamente roto en la configuración de OpenGL " #~ "(¿puedes ejecutar alguna aplicación OpenGL?), o bien has encontrado un bug" #~ msgid "Debug Information" #~ msgstr "Información de depuración" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Tamaño de imagen: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "Vista del Modelo fila 1: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "Vista del Modelo fila 2: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "Vista del Modelo fila 3: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "Vista del Modelo fila 4: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Atomos: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: indice %1 fuera de alcance" #~ msgid "File type '%1' is not supported for reading." #~ msgstr "El tipo de archivo '%1' no está soportado para lectura" #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "El tipo de archivo para el archivo '%1' no puede leerse" #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "La lectura de la molecula con indice %1 del archivo '%2' ha fallado" #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "reemplazar Molecula : indice %1 fuera de alcance" #~ msgid "File type '%1' is not supported for writing." #~ msgstr "El tipo de archivo '%1' no puede escribirse" #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "El tipo de archivo para el archivo '%1' no puede escribirse" #~ msgid "Could not open file '%1' for reading." #~ msgstr "No es posible abrir el archivo '%1' para lectura" #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "No se pudo reemplazar la molecula con indice %1 en el archivo '%2'" #~ msgid "File %1 cannot be opened for reading." #~ msgstr "El archivo %1 no pudo ser abierto para lectura." #~ msgid "File %1 can not be opened for writing." #~ msgstr "El archivo %1 no pudo ser abierto para escritura" #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Error al salvar el archivo molecular - No se pudo cambiar el nombre al " #~ "archivo original" #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Error al salvar el archivo molecular - no se pudo salvar el nuevo archivo" #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Error al salvar el archivo molecular - no se pudo eliminar el archivo " #~ "anterior" #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Error al escribir la molecula en el archivo '%1'. Error en la funcion " #~ "OpenBabel" #~ msgid "File %1 cannot be opened for writing." #~ msgstr "El archivo %1 no puede ser accesado para escritura" #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Error al guardar los conformeros en el archivo '%1'" #~ msgid "Molecule %1" #~ msgstr "Molecula %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Motor Python Desconocido" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: revisando " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - el codigo no tiene definido la clase 'Engine'" #~ msgid " - no module" #~ msgstr " - sin módulo" #~ msgid "Unknown Python Extension" #~ msgstr "Extensión Python Desconocida" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: revisando " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - el codigo no tiene definida la clase 'Extension'" #~ msgid "Unknown Python Tool" #~ msgstr "Herramienta Python Desconocida" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: revisando " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - el codigo no tiene definida la clase 'Tool'" #~ msgid "Tools" #~ msgstr "Herramientas" #~ msgid "Align:" #~ msgstr "Alinear:" #~ msgid "Everything" #~ msgstr "Todo" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Herramienta de Auto Optimización\n" #~ "\n" #~ "Funciones de navegación al hacer click en el espacio vacío.\n" #~ "Izquierdo del ratón: \t Rotar Espacio\n" #~ "Centro del ratón: Zoom Espacio\n" #~ "Derecho del ratón: \t Mover Espacio\n" #~ "Doble clic: \t Restablecer vista\n" #~ "\n" #~ "Cuando se ejecuta:\n" #~ "Izquierdo del ratón: \t Haga clic y arrastre para mover átomos entre " #~ "ellos." #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "Opt. autom.: No se puede establecer el campo de fuerza..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Número de restricciones: %1" #~ msgid "Steps per Update:" #~ msgstr "Pasos por actualización:" #~ msgid "Algorithm:" #~ msgstr "Algoritmo:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Dinámica molecular (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dinámica molecular (900K)" #~ msgid "Start" #~ msgstr "Iniciar" #~ msgid "Fixed atoms are movable" #~ msgstr "Los átomos fijos se pueden mover" #~ msgid "Ignored atoms are movable" #~ msgstr "Los átomos ignorados se pueden mover" #~ msgid "AutoOpt Molecule" #~ msgstr "Optimizar molécula automáticamente" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Optimización automática de la geometría molecular" #~ msgid "AutoOptimization Settings" #~ msgstr "Configuraciones de AutoOptimizacion" #~ msgid "Auto Rotation Tool" #~ msgstr "Herramienta de Rotación Automática" #~ msgid "x rotation:" #~ msgstr "rotación de x:" #~ msgid "x rotation" #~ msgstr "rotación de x:" #~ msgid "y rotation:" #~ msgstr "rotación de y:" #~ msgid "y rotation" #~ msgstr "rotación de y" #~ msgid "z rotation:" #~ msgstr "rotación de z:" #~ msgid "z rotation" #~ msgstr "rotación de z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Rotación automática de moléculas" #~ msgid "AutoRotate Settings" #~ msgstr "Configuraciones de AutoGirar" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Longitud de cadena: %L1" #~ msgid " Show Angles" #~ msgstr " Mostrar Ángulos" #~ msgid "Bond Centric Manipulate" #~ msgstr "Manipular centrado en enlaces" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipular longitudes de enlace, ángulos y torsiones" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Ajustes de manipulacion de enlaces" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distancia (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distancia (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Angulo Dihedral: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distancia(s):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Medir longitudes de enlace, ángulos y diedros" #~ msgid "Draw Bond" #~ msgstr "Dibujar enlace" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Dibujar y editar átomos y enlaces" #~ msgid "Draw Settings" #~ msgstr "Configuraciones de Dibujo" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Trasladar, rotar y ajustar átomos y fragmentos" #~ msgid "Manipulate Settings" #~ msgstr "Configuraciones de manipulacion" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Trasladar, rotar y acercar al rededor de la vista actual" #~ msgid "Navigate Settings" #~ msgstr "Configuraciones de navegacion" #~ msgid "Selection Mode:" #~ msgstr "Modo de Selección:" #~ msgid "Atom/Bond" #~ msgstr "Átomo/enlace" #~ msgid "Residue" #~ msgstr "Residuo" #~ msgid "Add Center of Atoms" #~ msgstr "Añadir centro de la molécula" #~ msgid "Change color of the atom" #~ msgstr "Cambiar el color del átomo" #~ msgid "Change label of the atom" #~ msgstr "Cambiar la etiqueta del átomo" #~ msgid "Change label of the bond" #~ msgstr "Cambiar la etiqueta del enlace" #~ msgid "Change radius of the atom" #~ msgstr "Cambiar el radio del átomo" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Nuevo Radio, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Seleccionar átomos, residuos y moléculas" #~ msgid "Symbol" #~ msgstr "Símbolo" #~ msgid "Bond Length" #~ msgstr "Longitud de cadena" #~ msgid "Dihedral Angle" #~ msgstr "Angulo dihedral" #~ msgid "Z Matrix Editor..." #~ msgstr "Editor de matriz Z" #~ msgid "Z-Matrix" #~ msgstr "Matriz-Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Crear/editar una matriz Z" #~ msgid "Z-Matrix Settings" #~ msgstr "Ajustes para matriz Z" #~ msgid "Color residues by:" #~ msgstr "Colorear residuos por:" #~ msgid "Hydrophobicity" #~ msgstr "Hidrofobicidad" #~ msgid "Axes:" #~ msgstr "Ejes:" #~ msgid "Cartesian Axes" #~ msgstr "Ejes cartesianos" #~ msgid "Orthogonal Axes" #~ msgstr "Ejes Ortogonales" #~ msgid "Axis 1:" #~ msgstr "Eje 1:" #~ msgid "Axis 2:" #~ msgstr "Eje 2:" #~ msgid "Axis 3:" #~ msgstr "Eje 3:" #~ msgid "Origin:" #~ msgstr "Origen:" #~ msgid "Norm" #~ msgstr "Norma" #~ msgid "Atom Radius:" #~ msgstr "Radio Atómico:" #~ msgid "Bond Radius:" #~ msgstr "Radio del enlace:" #~ msgid "Shape" #~ msgstr "Forma" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Ciclo" #~ msgid "Dipole:" #~ msgstr "Dipolo:" #~ msgid "Custom Vector" #~ msgstr "Vector personalizado" #~ msgid "Width:" #~ msgstr "Ancho:" #~ msgid "Cut-off radius:" #~ msgstr "Radio límite:" #~ msgid "Cut-off angle:" #~ msgstr "Ángulo límite:" #~ msgid "Rendering Engine:" #~ msgstr "Motor de renderizado:" #~ msgid "Text:" #~ msgstr "Texto:" #~ msgid "Symbol & Number in Group" #~ msgstr "Simbolo y Numero en grupo" #~ msgid "Symbol & Atom number" #~ msgstr "Simbolo y número atómico" #~ msgid "Partial charge" #~ msgstr "Carga parcial" #~ msgid "Residue number" #~ msgstr "Número del Residuo" #~ msgid "Custom data" #~ msgstr "Dato personalizado" #~ msgid "Change Font" #~ msgstr "Cambiar la fuente" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Bond length" #~ msgstr "Longitud del enlace" #~ msgid "Bond number" #~ msgstr "Número de enlace" #~ msgid "Bond order" #~ msgstr "Orden de enlace" #~ msgid "Radius:" #~ msgstr "Radio :" #~ msgid "Include Nitrogens" #~ msgstr "Incluir nitrógenos" #~ msgid "VdW Opacity:" #~ msgstr "Opacidad de Van der Waals:" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Render:" #~ msgstr "Renderizar:" #~ msgid "Fill" #~ msgstr "Llenar" #~ msgid "Points" #~ msgstr "Puntos" #~ msgid "Draw Box:" #~ msgstr "Dibujar Caja:" #~ msgid "Mapped Colors" #~ msgstr "Colores mapeados" #~ msgid "Positive" #~ msgstr "Positivo" #~ msgid "Negative" #~ msgstr "Negativo" #~ msgid "Show Atoms" #~ msgstr "Mostrar átomos" #~ msgid "Animate Trajectory" #~ msgstr "Animar trayectoria" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Bucle" #~ msgid "Save as .avi..." #~ msgstr "Guardar como .avi" #~ msgid "Angstroms" #~ msgstr "Angstroms" #~ msgid "Bohrs" #~ msgstr "Bohrs" #~ msgid "Fractional" #~ msgstr "Fraccionario" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, sólo coordenadas" #~ msgid "Apply Changes" #~ msgstr "Aplicar cambios" #~ msgid "Cut All" #~ msgstr "Cortar todo" #~ msgid "Paste to the End" #~ msgstr "Pegar al final" #~ msgid "(None)" #~ msgstr "(Ninguno)" #~ msgid "Sort by " #~ msgstr "Organizar por " #~ msgid "Number of atoms:" #~ msgstr "Número de Átomos:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Número de enlaces rotables:" #~ msgid "Add Constraints" #~ msgstr "Añadir restricciones" #~ msgid "Ignore Atom" #~ msgstr "Ignorar Átomo" #~ msgid "Fix Atom" #~ msgstr "Fijar Átomo" #~ msgid "Fix Atom X" #~ msgstr "Fijar Átomo X" #~ msgid "Fix Atom Y" #~ msgstr "Fijar Átomo Y" #~ msgid "Fix Atom Z" #~ msgstr "Fijar Átomo Z" #~ msgid "Torsion angle" #~ msgstr "Ángulo de Torsión" #~ msgid "Add" #~ msgstr "Añadir" #~ msgid "Save" #~ msgstr "Guardar" #~ msgid "Load" #~ msgstr "Cargar" #~ msgid "Cartesian" #~ msgstr "Cartesiano" #~ msgid "All" #~ msgstr "Todos" #~ msgid "File Import..." #~ msgstr "Importar archivo..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "¿Tratar de ver los enlaces?" #~ msgid "Setup Force Field" #~ msgstr "Configurar Campo de Fuerza" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Cantidad de pasos" #~ msgid "Algorithm" #~ msgstr "Algoritmo" #~ msgid "10e-" #~ msgstr "10e-" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Arginina" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Asparragina" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "Acido aspártico" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Cisteína" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "Acido glutamico" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Glutamina" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Glicina" #~ msgid "Gly" #~ msgstr "Gly" #~ msgid "Histidine" #~ msgstr "Histidina" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "Isoleucina" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyr" #~ msgstr "Tyr" #~ msgid "Tryptophan" #~ msgstr "Triptófano" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "Treonina" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "Serina" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Prolina" #~ msgid "Phenylalanine" #~ msgstr "Penilalanina" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "Metionina" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Lisina" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "Leucina" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "Secuencia (N a C)" #~ msgid "Stereochemistry:" #~ msgstr "Estereoquímica:" #~ msgid "L" #~ msgstr "I" #~ msgid "N Terminus:" #~ msgstr "N Terminal:" #~ msgid "C Terminus:" #~ msgstr "C Terminal:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Straight Chain" #~ msgstr "Cadena recta" #~ msgid "Alpha Helix" #~ msgstr "Hélice alfa" #~ msgid "Beta Sheet" #~ msgstr "Hoja beta" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "Chain Number:" #~ msgstr "Cadena de número:" #~ msgid "The chain number for the new peptide" #~ msgstr "La cadena para el nuevo número de péptidos" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Número de residuos:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energia (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Momento dipolar (D)" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Avanzado" #~ msgid "Grid" #~ msgstr "Cuadrícula" #~ msgid "POV-Ray Export" #~ msgstr "Exportar a POV-Ray" #~ msgid "Select..." #~ msgstr "Seleccionar…" #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Usar suavizado (antialiasing) sobre toda la escena" #~ msgid "Antialias" #~ msgstr "Suavizado (antialias)" #~ msgid "Set the background color to be transparent" #~ msgstr "Poner el color de fondo transparente" #~ msgid "Alpha transparency" #~ msgstr "Transparencia alfa" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "" #~ "Generar la molécula directamente usando la línea de órdenes de POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Conservar fuente POV-Ray después de haberlo generado" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Conservar fuente POV-Ray después de haberlo generado" #~ msgid "Path:" #~ msgstr "Ruta" #~ msgid "0.0" #~ msgstr "0,0" #~ msgid "Compute..." #~ msgstr "Calcular..." #~ msgid "Dalton Input" #~ msgstr "Entrada Dalton" #~ msgid "Basics" #~ msgstr "Basicos" #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Parallel" #~ msgstr "Paralelo" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Calidad de la red:" #~ msgid "coarse" #~ msgstr "grueso" #~ msgid "normal" #~ msgstr "normal" #~ msgid "fine" #~ msgstr "fino" #~ msgid "ultrafine" #~ msgstr "ultrafino" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Polarizability" #~ msgstr "Polaridad" #~ msgid "No. excitations:" #~ msgstr "Nº de excitanciones" #~ msgid "EFP Matches" #~ msgstr "Coincidencias EFP" #~ msgid "Group Label:" #~ msgstr "Etiqueta de Grupo:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Configuración Avanzada" #~ msgid "Hessian" #~ msgstr "Hessiano" #~ msgid "Stat Point" #~ msgstr "Punto de inicio" #~ msgid "System" #~ msgstr "Sistema" #~ msgid "MO Guess" #~ msgstr "MO Guess" #~ msgid "Misc" #~ msgstr "Varios" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Funciones de Polarización de Átomos Pesados:" #~ msgid "Read" #~ msgstr "Leer" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Difundir S-Shell en átomos pesados" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Difundir capa L en Átomos Pesados" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Valencia Doble Zeta" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Valencia Triple Zeta" #~ msgid "SBKJA Valence" #~ msgstr "Valencia de SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "Valencia de Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Tipo de ECP:" #~ msgid "Default" #~ msgstr "Por defecto" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Funciones de Polarización de Átomos Pesados:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "# Funciones de Polarización de Átomos ligeros:" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Max SCF Iterations:" #~ msgstr "Iteraciones Max SCF:" #~ msgid "Gradient" #~ msgstr "Gradiente" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "Punto de silla (Estado de transición)" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Extremos Relativos" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Mom. de Transición Radiativa." #~ msgid "Spin Orbit" #~ msgstr "Órbita de spin" #~ msgid "Finite Electric Field" #~ msgstr "Campo Eléctrico Finito" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Optimización Global" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Optimización FMO" #~ msgid "Raman Intensities" #~ msgstr "Intensidades de Raman" #~ msgid "Make EFP" #~ msgstr "Hacer EFP" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Ninguno (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Tipo de SCF:" #~ msgid "Localization Method:" #~ msgstr "Método de Localización:" #~ msgid "Exec Type:" #~ msgstr "Tipo de ejecución:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Determinante de Ames Lab." #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Espacio activo de ocupacion multiple restringida" #~ msgid "CI Singles" #~ msgstr "CI Individuales" #~ msgid "Full Second Order CI" #~ msgstr "CI Completo de Segundo Orden" #~ msgid "General CI" #~ msgstr "CI General" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: CC linealizado" #~ msgid "CCD: CC with Doubles" #~ msgstr "DCC: doble CC" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC con simples y dobles" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Ejecución normal" #~ msgid "Check" #~ msgstr "Revisar" #~ msgid "Debug" #~ msgstr "Depurar" #~ msgid "Run Type:" #~ msgstr "Tipo de ejecución" #~ msgid "Use MP2" #~ msgstr "Usar MP2" #~ msgid "Use DFT" #~ msgstr "Usar DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# de Variables de Z-Matriz" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Orden del Eje Principal:" #~ msgid "Coordinate Type:" #~ msgstr "Tipo de Coordinado:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Coordenadas Únicas cartesianas" #~ msgid "Hilderbrant internals" #~ msgstr "Coordenadas internas de Hilderbrant" #~ msgid "MOPAC Z-Matrix" #~ msgstr "Matriz-Z MOPAC" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Usar Simetría durante el Cálculo" #~ msgid "Point Group:" #~ msgstr "Grupo puntual" #~ msgid "Minutes" #~ msgstr "Minutos" #~ msgid "Hours" #~ msgstr "Horas" #~ msgid "Days" #~ msgstr "Días" #~ msgid "Weeks" #~ msgstr "Semanas" #~ msgid "Years" #~ msgstr "Años" #~ msgid "Millenia" #~ msgstr "Milenios" #~ msgid "MegaWords" #~ msgstr "MegaPalabras" #~ msgid "MegaBytes" #~ msgstr "Megabytes" #~ msgid "GigaWords" #~ msgstr "GigaWords" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Forzar métodos paralelos" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Producir un archivo de \"núcleo\" al abortar" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memoria:" #~ msgid "Diagonalization Method:" #~ msgstr "Método de Diagonalización" #~ msgid "Parallel Load Balance Type" #~ msgstr "Tipo de equilibrio de carga paralela" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Bucle" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Siguiente valor" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Usar Representación Externa de Datos para los Mensajes" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "Lectura MO ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "Guardado Mo (DICTNRY)" #~ msgid "Skip" #~ msgstr "Omitir" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Rotar Orbitales Alfa y Beta" #~ msgid "Print the Initial Guess" #~ msgstr "Mostrar la suposición inicial" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Interfaz GAMESS a Otros Códigos" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Forzar un tipo de ejecución de prueba" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (Versión de Reino Unido)" #~ msgid "Solvate with Water" #~ msgstr "Disolver con Agua" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Generar Orbitales Naturales UHF" #~ msgid "Direct SCF" #~ msgstr "SCF Directo" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Calcular sólo cambios en la matriz de Fock" #~ msgid "Slater exchange" #~ msgstr "Intercambio de Slater" #~ msgid "Becke 1988 exchange" #~ msgstr "Intercambio de Becke 1988" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Correlación de Vosko-Wilk-Nusair (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Correlación de Lee-Yang-Parr" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "VWN: Intercambio de Slater + VWN correlación" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: Intercambio de BECKE + correlación VWN5" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: Intercambio de BECKE + correlación LYP" #~ msgid "Gill 1996 exchange" #~ msgstr "Intercambio de Gill 1996" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Intercambio de Perdew-Burke-Ernzerhof (PBE)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "Correlación Progresiva de un parámetro" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: Intercambio de SLATER + correlación Lee-Yang-Parr (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: Intercambio de SLATER + correlación OP" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: Intercambio de BECKE + correlación OP" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: Intercambio de GILL + correlación VWN5" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: Intercambio de GILL + correlación LYP" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: Intercambio PBE + correlación VWN6" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: intercambio PBE + correlación LYP" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: Intercambio PBE + correlación OP" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: Intercambios HF y BECKE + correlación LYP" #~ msgid "Grid-Free" #~ msgstr "Sin cuadrícula" #~ msgid "Duplicated on Each Node" #~ msgstr "Duplicado en Cada Nodo" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distribuído entre Todos los Nodos" #~ msgid "words" #~ msgstr "palabras" #~ msgid "Compute MP2 Properties" #~ msgstr "Calcular Propiedades MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Umbral de retención integral" #~ msgid "Use Localized Orbitals" #~ msgstr "Usar Orbitales Localizados" #~ msgid "# of Core Electrons:" #~ msgstr "# de Electrones del Núcleo:" #~ msgid "Transformation Method" #~ msgstr "Método de Transformación" #~ msgid "Two Phase Bin Sort" #~ msgstr "Ordenamiento binario en dos fases" #~ msgid "Segmented Transformation" #~ msgstr "Transformación Segmentada" #~ msgid "Numeric" #~ msgstr "Numérico" #~ msgid "Double Differenced Hessian" #~ msgstr "Hessiano doblemente diferenciada" #~ msgid "Print Internal Force Constants" #~ msgstr "Mostrar Constantes de Fuerza Internas" #~ msgid "Displacement Size:" #~ msgstr "Tamaño desplazado" #~ msgid "Purify Hessian" #~ msgstr "Purificar Hessiano" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Hessiano Inicial" #~ msgid "Guess (+ define)" #~ msgstr "Suponer (+ definir)" #~ msgid "Read (from $HESS)" #~ msgstr "Leer (de $HESS)" #~ msgid "Update Step Size" #~ msgstr "Actualizar Tamaño del Paso" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Imprimir orbitales en cada iteración" #~ msgid "Jump Size:" #~ msgstr "Tamaño del Salto:" #~ msgid "Stationary Point" #~ msgstr "Extremo Relativo" #~ msgid "Initial:" #~ msgstr "Inicial:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Optimización de Función Racional" #~ msgid "Quadratic Approximation" #~ msgstr "Aproximación Cuadrática" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Optimización restringida" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Recalcular hessiano cada:" #~ msgid "Follow Mode:" #~ msgstr "Modo de Seguimiento:" #~ msgid "Basis:" #~ msgstr "Base:" #~ msgid "Z-matrix" #~ msgstr "matriz-Z" #~ msgid "Gaussian Input" #~ msgstr "Entrada Gaussiana" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Estándar" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Punto de revisión:" #~ msgid "Z-matrix (compact)" #~ msgstr "matriz-Z (compacta)" #~ msgid "MOLPRO Input" #~ msgstr "Entrada MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "Quartet" #~ msgstr "Cuarteto" #~ msgid "Quintet" #~ msgstr "Quinteto" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Entrada para NWChem" #~ msgid "Q-Chem Input" #~ msgstr "Entrada de Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Load Shaders" #~ msgstr "Cargar sombras" #~ msgid "Shader Name:" #~ msgstr "Nombre del sombreado:" #~ msgid "Vertex Shader:" #~ msgstr "Sombras de vértices:" #~ msgid "Fragment Shader:" #~ msgstr "Sombras fragmentadas:" #~ msgid "Assign Shader" #~ msgstr "Asignar sombras" #~ msgid "Display Type:" #~ msgstr "Tipo de display:" #~ msgid "Font:" #~ msgstr "Fuente:" #~ msgid "Change Font..." #~ msgstr "Cambiar fuente ..." #~ msgid "Foreground:" #~ msgstr "Primer plano:" #~ msgid "New..." #~ msgstr "nuevo..." #~ msgid "Rename..." #~ msgstr "Renombrar ..." #~ msgid "&Schemes:" #~ msgstr "&Regímenes:" #~ msgid "&DPI:" #~ msgstr "&DPI" #~ msgid "&Width:" #~ msgstr "&Ancho:" #~ msgid "&Height" #~ msgstr "&Altura" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "en" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Utilice un valor optimizado para el tamaño de la fuente en lugar del " #~ "régimen valor especificado (imagen de pantalla para tamaños en puntos no " #~ "se traducen bien!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Ajuste automático de F & tienen Tamaño" #~ msgid "&Gaussian Width:" #~ msgstr "&Gaussian Ancho:" #~ msgid "&Label peaks" #~ msgstr "&Etiqueta picos" #~ msgid "Energy units:" #~ msgstr "Unidades de energía:" #~ msgid "Density units" #~ msgstr "Unidades de densidad" #~ msgid "&Y Axis Units:" #~ msgstr "&Y Eje Unidades:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Gaussian &Width:" #~ msgstr "Gaussian &Ancho:" #~ msgid "Reset &Plot Axes" #~ msgstr "Restablecer &Parcela Ejes" #~ msgid "Label Peaks:" #~ msgstr "Picos de etiqueta:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Vibraciones Moleculares" #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Actividad (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Mostrar espectro..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "" #~ "Las frecuencias de vibración más altas mostrarán movimiento más rápido" #~ msgid "Animation speed set by frequency" #~ msgstr "Velocidad de animacion establecida por frecuencia" #~ msgid "Display force &vectors" #~ msgstr "Mostrar fuerza &vectores" #~ msgid "Surface Type:" #~ msgstr "Tipo de superficie:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Baja" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Media" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Alta" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Muy alta" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "En tipo de presentación:" #~ msgid "New Display" #~ msgstr "Nueva presentación" #~ msgid "Advanced..." #~ msgstr "Avanzado..." #~ msgid "&Cap with hydrogen" #~ msgstr "Casquillo con hidrógeno" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "Esto puede tomar un tiempo. Si solamente los átomos coordinados\n" #~ "son necesarios (digamos, para un cálculo de mecánica cuántica),\n" #~ "un enlace simple sólo una representación debería ser suficiente." #~ msgid "Find &double bonds" #~ msgstr "Buscar &enlaces dobles" #~ msgid "Display visual cues" #~ msgstr "Mostrar indicaciones visuales" #~ msgid "Python Settings" #~ msgstr "Configuración de Python" #~ msgid "Z Matrix Editor" #~ msgstr "Editor de matriz Z" avogadrolibs-1.100.0/i18n/et.po000066400000000000000000007271121474375334400161040ustar00rootroot00000000000000# Estonian translation for avogadro # Copyright (c) 2012 Rosetta Contributors and Canonical Ltd 2012 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2012. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-13 03:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Estonian \n" "Language: et\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Tundmatu" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Vesinik" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Heelium" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Liitium" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Berüllium" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Boor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Süsinik" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Lämmastik" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Hapnik" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neoon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Naatrium" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magneesium" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Alumiinium" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Räni" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Väävel" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Kloor" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argoon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Kaalium" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Kaltsium" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Skandium" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titaan" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanaadium" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Kroom" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Mangaan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Raud" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Koobalt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nikkel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Vask" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Tsink" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germaanium" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arseen" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Seleen" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Broom" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Krüptoon" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubiidium" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Strontsium" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Ütrium" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Tsirkoonium" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Nioobium" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molübdeen" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Tehneetsium" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Ruteenium" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Roodium" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Pallaadium" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Hõbe" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Kaadmium" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Tina" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Telluur" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Jood" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Ksenoon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Tseesium" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Baarium" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantaan" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Tseerium" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodüüm" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodüüm" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Promeetium" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samaarium" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Euroopium" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadoliinium" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Düsproosium" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Tuulium" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Üterbium" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Luteetsium" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantaal" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Volfram" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Reenium" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iriidium" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Plaatina" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Kuld" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Elavhõbe" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Tallium" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Plii" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Vismut" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Poloonium" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astaat" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radoon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Frantsium" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Raadium" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Aktiinium" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Toorium" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protaktiinium" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uraan" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptuunium" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutoonium" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Ameriitsium" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Kuurium" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkeelium" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Kalifornium" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendeleevium" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobeelium" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Lavrentsium" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitneerium" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Röntgeenium" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Koperniikium" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihoonium" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Fleroovium" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moskoovium" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermoorium" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tennessiin" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganessoon" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipoolmoment" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Jõud" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 #, fuzzy msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Eemalda aatom" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 #, fuzzy #| msgid "X Axis" msgid "Axis:" msgstr "Telg:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "Kohandatud värv" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "Element" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy #| msgid "Partial charge" msgid "By Partial Charge…" msgstr "Osalaeng" #: qtplugins/applycolors/applycolors.cpp:82 #, fuzzy msgid "By Secondary Structure" msgstr "sekundaarset struktuuri" #: qtplugins/applycolors/applycolors.cpp:87 #, fuzzy msgid "By Amino Acid" msgstr "Aminohapped" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 #, fuzzy msgid "Color Residues" msgstr "Värv jäägi järgi" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Elemendi nimi." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Elemendi sümbol." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Aatomi number." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 #, fuzzy msgid "Geometry Optimization" msgstr "Geomeetriline optimeerimine" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Kaugus:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "Arvuta" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Energia = %L1 %2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Sagedused" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gaas" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Vesi" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Eemalda vesinikke" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "Vesinikud" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Vesinikud" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 #, fuzzy msgid "Color:" msgstr "Värv:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "Nurk:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy msgid "&Molecular…" msgstr "&Molekulaarsed…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Molekulaarsed omadused" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Molekuli omadused" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Lisa pH jaoks vesinikke…" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "Eemalda vesinikke" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Lisa vesinikke (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "Lisa pH jaoks vesinikke" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "videofailid (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Valentsus" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:522 #, fuzzy msgid "Atom" msgstr "Aatom" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Tüüp" #: qtplugins/propertytables/propertymodel.cpp:531 #, fuzzy msgid "Start Atom" msgstr "Esimene aatom" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Viimane aatom" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Sidemete järjekord" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Pikkus (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 #, fuzzy msgid "Secondary Structure" msgstr "Sekundaarset Struktuur" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Aatom 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Aatom 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Nurk (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Aatom 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Aatom 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "Alfa heeliks" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "Sidemete omadused…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Nurkade omadused…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Omadused" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Sidemete omadused" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Nurkade omadused" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Residue…" msgstr "Vali jäägi järgi…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" msgstr "Vali jäägi…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "Vali" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 #, fuzzy #| msgid "Energy" msgid "Energy (eV)" msgstr "Energia" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Pinnad" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial charge" msgid "Partial Charges" msgstr "Osalaeng" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A:" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy #| msgid "G" msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "A:" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " (" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Hele" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Arvuta" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "Tüüp:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Annika, ,Launchpad Contributions:,Annika,Avogadro " "Team, ,Launchpad Contributions:,Annika,Avogadro Team, ,Launchpad " "Contributions:,Annika,Avogadro Team" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,aennok@gmail.com,,,aennok@gmail.com,avogadro-devel@lists.sourceforge.net,,," "aennok@gmail.com,avogadro-devel@lists.sourceforge.net,,,aennok@gmail.com," "avogadro-devel@lists.sourceforge.net" #, fuzzy #~| msgid "Partial charge" #~ msgid "Partial Charge" #~ msgstr "Osalaeng" #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Aatomi number" #, fuzzy #~ msgid "By Distance" #~ msgstr "Värv kauguse järgi" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Aatomi number" #, fuzzy #~ msgid "Molecule Name:" #~ msgstr "Molekulaarsed omadused..." #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molekulaarmass (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Keemiline valem:" #~ msgid "Number of Atoms:" #~ msgstr "Aatomite arv:" #~ msgid "Number of Bonds:" #~ msgstr "Sidemete arv:" #, fuzzy #~ msgid "Filename" #~ msgstr "Jäägi nimi" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Struktuur:" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Elemendi nimi" #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Lisa pH jaoks vesinikke" #, fuzzy #~ msgid "Atom Properties..." #~ msgstr "Sidemete omadused" #, fuzzy #~ msgid "Bond Properties..." #~ msgstr "Sidemete omadused" #, fuzzy #~ msgid "Angle Properties..." #~ msgstr "Nurkade omadused" #, fuzzy #~ msgid "Torsion Properties..." #~ msgstr "Sidemete omadused" #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Molekuli omadused..." #~ msgid "Rotatable" #~ msgstr "Roteeritav" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Nurk %1" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "Energia (kJ/mol):" #, fuzzy #~ msgid "No" #~ msgstr "Neoon" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geomeetriline optimeerimine" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Lisa pH jaoks vesinikke" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Pinnad" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Värv indeksi järgi (punane, oranž, kollane, roheline, sinine, lilla)." #~ msgid "Color by Partial Charge" #~ msgstr "Värv osalaengu järgi" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Värv aatomi osalaengu järgi (sinine = positiivne, punane = negatiivne." #~ msgid "Set custom colors for objects" #~ msgstr "Määra objektidele kohandatud värvid" #~ msgid "Color by distance from the first atom." #~ msgstr "Värv kauguse järgi esimesest aatomist." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Värv elemendi järgi (süsinik = hall, hapnik = punane, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Värv jäägi järgi (aminohappe tüüp, hüdrofoobsus, ..." #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoktium" #~ msgid "Engines" #~ msgstr "Mootorid" #~ msgid "Axes" #~ msgstr "Teljed" #~ msgid "Hydrogen Bond" #~ msgstr "Vesinikside" #~ msgid "Renders hydrogen bonds" #~ msgstr "Esitab vesiniksidemeid" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waalsi sfäärid" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Elektrontihedus, isopind = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isopind = %L2" #~ msgid "Number of atoms: %1" #~ msgstr "Aatomite arv: %1" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Keemiafailid (*.xyz)" #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "Allalaaditava molekuli URL." #~ msgid ")" #~ msgstr ")" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Vali aatomid, sidemed, jäägid..." #~ msgid "Y Axis" #~ msgstr "Y-telg" #~ msgid "Dark" #~ msgstr "Tume" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Residue" #~ msgstr "Jääk" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Vali aatomid, jäägid ja molekulid" #~ msgid "Bond Radius:" #~ msgstr "Sideme raadius:" #~ msgid "Dipole:" #~ msgstr "Dipool:" #~ msgid "Radius:" #~ msgstr "Raadius:" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Arginiin" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Asparagiin" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "Aspartiinhape" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Tsüsteiin" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "Glutamiinhape" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Glutamiin" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Glütsiin" #~ msgid "Gly" #~ msgstr "Gly" #~ msgid "Histidine" #~ msgstr "Histidiin" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "Isoleutsiin" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyr" #~ msgstr "Tyr" #~ msgid "Tryptophan" #~ msgstr "Trüptofaan" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "Treoniin" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "Seriin" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Proliin" #~ msgid "Phenylalanine" #~ msgstr "Fenüülalaniin" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Lüsiin" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "Leutsiin" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Stereochemistry:" #~ msgstr "Stereokeemia:" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Straight Chain" #~ msgstr "Sirge agel" #~ msgid "Chain Number:" #~ msgstr "Ahela number:" #~ msgid "The chain number for the new peptide" #~ msgstr "Uue peptiidi ahelanumber" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Jääkide arv:" #~ msgid "Dipole Moment (D):" #~ msgstr "Dipoolmoment (D):" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "toll" #~ msgid "ppm" #~ msgstr "ppm" avogadrolibs-1.100.0/i18n/eu.po000066400000000000000000012515701474375334400161060ustar00rootroot00000000000000# Basque translation for avogadro # Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2010. # Julen Larrucea , 2022. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-14 07:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Basque \n" "Language: eu\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Sorta lana #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Ez da mezurik zehaztu." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "script --print-options output goi mailako JSON objektu bat izan behar du. " "Jasotakoa:\n" "%1" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "String-a ez den ohartarazpen bat erantzun izan da." #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "'ohartarazpenak' kidea ez da array bat." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "'%1' erreferentzi fitxategia ez da existitzen." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "Akatsa %1 fitxategia betetzean: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "'%1' fitxategiak egitura eskasa du. 'contents' string-a edo 'filePath' " "kideak falta dira." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "'files' kidea ez da array bat." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "'files' kidea falta da." #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "'mainFile' kidea string bat izan behar du." #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "Erantzunak goi mailako JSON objektuak izan behar dira." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Script-aren emaitza:\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "%1 Sarrera Sortzailea" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Jarraitu" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Itxi" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Ezezaguna" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "Arazoak egon dira sarrera sortzerakoan:" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "Ez daude gordetzeko sarrera fitxategirik!" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "Ezin da MoleQueue-ra konektatu" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Ezin da MoleQueue serbitzarira konektatu. Mesedez, ziurtatu abian dagoela " "eta saiatu berriz." #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "Bidali %1 kalkulaketa" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "Lanak ez du behar bezala bukatu." #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "Script-ak errorea sortu du:\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "Errore bat gertatu da:" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" "Barneko errorea: ezin izan da '%1' izendun fitxategirentzako textu widget-ik " "aurkitu" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Ezin izan da %1 fitxategian idatzi." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Aukeratu itereera direktorio bat" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Direktorioa ez da existitzen!" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Direktorioa ezin da irakurria izan!" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: Fitxategia gainidatzia izango da." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: Fitxategia ez da idazgarria." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" "Sarrera fitxategia ezin izan da idatzia izan akats ezezagun baten erruz." #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Sarrera fitxategiak ezin izan dira idatziak izan:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Ezin da sarrera fitxategietan idatzi:\n" "\n" "%1\n" "\n" "Abisuak:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Abisua:\n" "\n" "%1\n" "\n" "Jarraitu nahi duzu?" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Sarrera fitxategiak idatzi" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "Lana konfiguratu" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Lana MoleQueue-ra bidaltzen…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Lan bidalketa denboraz kanpo" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Abogadrok MoleQueue-ren erantzunaren zain denbora agortu du." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "%1 \"%2\" lana bukatzeko zain…" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "Itxaroteari utzi" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "Bukatutako lanen informazioa bilatzen…" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "Lan berrreskuratzea denboraz kanpo" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Ez da molekularik ezarri BackgroundFileFormat-an!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Ez da fitxategi izenik zehaztu BackgroundFileFormat-en!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Hidrogeno" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Helio" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Litio" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Berilio" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Boro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Karbono" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Nitrogeno" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Oxigeno" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Sodio" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnesio" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Aluminio" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silizio" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fosforo" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Sufre" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Kloro" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Potasio" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Kaltzio" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Eskandio" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titanio" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Banadio" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Kromo" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Manganeso" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Burdin" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Kobalto" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nikel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Kupre" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Zink" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Galio" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germanio" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Artseniko" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selenio" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Bromo" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Kripton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidio" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Estrontzio" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Itrio" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirkonio" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niobio" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molibdeno" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Teknezio" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Rutenio" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rodio" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Paladio" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Zilar" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Kadmio" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indio" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Eztainu" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimonio" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Telurio" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Iodo" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Zesio" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Bario" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantano" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Zerio" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodimio" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodimio" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Prometio" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samario" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europio" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinio" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbio" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Disprosio" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmio" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbio" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Tulio" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Iterbio" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutezio" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnio" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantalo" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Wolframio" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Renio" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmio" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridio" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platino" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Urre" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Merkurio" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Talio" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Berun" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bismuto" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonio" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astato" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Frantzio" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radio" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Aktinio" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Torio" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protaktinio" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uranio" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptunio" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutonio" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Amerizio" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Kurio" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkelio" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Kalifornio" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einstenio" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermio" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelebio" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelio" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Laurentzio" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherfordio" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnio" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgio" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bohrio" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hasio" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitnerio" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtio" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Roentgenio" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Kopernizio" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihonio" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flerovio" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moskovio" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermorio" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Teneso" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganeson" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Fitxategi guztiak" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Izenburua" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 #, fuzzy msgid "Theory" msgstr "Teoria" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Oinarria" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "Karga" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "Multiplizitatea" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "[molekularik ez]" #: qtgui/layermodel.cpp:85 #, fuzzy, qt-format #| msgid "Layer" msgid "Layer %1" msgstr "%1 Geruza" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Puntu eta barrak" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Marrazkia" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Momentu Bipolarra" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Indarra" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Etiketa" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 #, fuzzy #| msgid "QTAIM" msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Burdin-haria" #: qtgui/moleculemodel.cpp:92 #, fuzzy msgid "Untitled" msgstr "Izengabea" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "Ikuspegi berria sortu" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Taula Periodikoa" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Errorea gertatu da '%1 %2' script-a abiatzean: Denboraz kanpo (%3) hasteko " "itxaroten." #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Errorea gertatu da '%1 %2' script-a abiatzean: ezin izan da stdin-ean idatzi " "(luzeera=%3, %4 byte idatzita, QProcess errorea: %5)." #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Errorea gertatu da '%1 %2' script-a abiatzean: Denboraz kanpo (%3) bukatzeko " "itxaroten." #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Errorea gertatu da '%1 %2' script-a abiatzean: ez ohiko iteera estatusa %3 " "(%4: %5)\n" "\n" "Output-a:\n" "%6" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "Akatsa script-a abiatzerakoan." #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "Script-ak ez du funzionatu." #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "Script-aren abiaketa denboraz kanpo dago." #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "Irakurketa errorea." #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "Idazkera errorea." #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "Errore ezezaguna." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Geruzak eraldatu" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Geruzak ezabatu" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Geruza informazioa ezabatu" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Geruza gehitu" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Geruza Informazioa Gehitu" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "Geruza aldatu" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Gehitu Atomo Bat" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Ezabatu Atomoa" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "Atomoak Ezabatu" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Doitu Hidrogenoak" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Elementuak Aldatu" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Aldatu Elementua" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "Aldatu Atomoaren Hibridazioa" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "Aldatu Atomoaren Karga Formala" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "Aldatu Atomoaren Kolorea" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "Aldatu Atomoaren Geruza" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Gehitu Lotura Bat" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "Lotura Ezabatua" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "Ezabatu Loturak" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "Lotura Ordenak Ezarri" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Aldatu Loturen Ordena" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "Loturak Eguneratu" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "Lotura Eguneratu" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "Gelaxka Unitatea kendu" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "Gelaxka Unitatea Eraldatu" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "Atomoak Gelaxkan Multzotu" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "Gelaxkaren Bolumena Eskalatu" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "Super Gelaxka Eraiki" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "Niggli Erredukzioa" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "Orientazio Estandarderaino Errotatu" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "Jatorrizko Gelaxkara Murriztu" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "Gelaxka Simetrizatu" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Bete Gelatxo Unitarioa" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "Gelaxka Unitate Asimetrikora Murriztu" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Molekula Aldatu" #: qtgui/scenepluginmodel.cpp:92 #, fuzzy #| msgid "&Settings" msgid "Settings" msgstr "Ezarpenak" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3DMol HTML Blokea." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Artxiboa" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "&Esportatu" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Eraiki" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Elementua:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Lerrokatu" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Ardatza:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 #, fuzzy #| msgid "selected atom to origin" msgid "Center the atom at the origin." msgstr "atomoen jatorria aukeratua" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Lerrokatu molekulak ardatz kartesiar batera" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "APBS abiarazi…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Irteera Fitxategia Ireki…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "&Sarrera" #: qtplugins/apbs/apbs.cpp:50 #, fuzzy msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "Irteera Fitxategia Ireki" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX Fitxategia (*.dx)" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "IO Errorea" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "Errorea (%1) egitura fitxategia irakurtzean." #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "OpenDX Errorea" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Errorea OpenDX fitxategia Irakurtzerakoan: %1" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "Errorea OpenDX fitxategia irakurtzerakoan: Ez da kuborik aurkitu" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "APBS tresnekin interakzionatu." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "PDB Fitxategia Ireki" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB Fitxategiak (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "PQR Fitxategia Ireki" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR Fitxategiak (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Akatsa" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Errorea APBS abiatzerakoan: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Mezedez PDB fitxategia aukeratu" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "APBS Sarrera Fitxategia Gorde" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "Ondo egin da" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Sarrera fitxategia '%1'-en idatzia" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "Kolore Egokitua…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "Elementua" #: qtplugins/applycolors/applycolors.cpp:72 #, fuzzy msgid "By Chain" msgstr "Kateak" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy #| msgid "Partial Charge" msgid "By Partial Charge…" msgstr "Karga Partziala" #: qtplugins/applycolors/applycolors.cpp:82 #, fuzzy msgid "By Secondary Structure" msgstr "bigarren estruktura" #: qtplugins/applycolors/applycolors.cpp:87 #, fuzzy msgid "By Amino Acid" msgstr "Aminoazidoak" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 #, fuzzy #| msgid "Spectra" msgctxt "colormap" msgid "Spectral" msgstr "Espektrua" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Ikusi" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 #, fuzzy msgid "Color Residues" msgstr "Kolorea Hondakinez Jarri" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Erakutsi Lotura Anizkoitzak" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Loturetan Oinarritutako Manipulazioa" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Loturetan Oinarritutako Manipulazioa" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "Loturak hauteman" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "Lotura" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 #, fuzzy msgid "Perceive bond orders." msgstr "Loturak hauteman" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Bizkarrezurra" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Zinta" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Marrazkia" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Marrazkia" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Masa Zentrua Gehitu" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "Hedapenak" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #, fuzzy msgid "Scripts" msgstr "Script-ak" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 #, fuzzy #| msgid "Other" msgid "Other…" msgstr "Bestelakoa…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "Koordenatu editatu…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "Koordenatu editatu" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Elementuaren izena." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Elementuaren sinboloa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Atomo Aurkibideak." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Atomoaren zenbakia." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Petsonalizatua" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Turbomole Sarrera" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 #, fuzzy msgid "Copy" msgstr "Kopiatu" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 #, fuzzy msgid "Clear" msgstr "Deuseztatu" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 #, fuzzy msgid "Molecular Dynamics" msgstr "Dinamika Molekularra" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 #, fuzzy msgid "Geometry Optimization" msgstr "Geometria Optimizazioa" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 #, fuzzy msgid "Molecular Mechanics" msgstr "Mekanika Molekularra" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 #, fuzzy msgid "Conjugate Gradients" msgstr "Konjugatu Gradienteak" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 #, fuzzy msgid "Steepest descent" msgstr "Gradientearen malda" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 #, fuzzy msgid "&Wrap Atoms to Unit Cell" msgstr "Atomoak Gelaxkan &Multzotu" #: qtplugins/crystal/crystal.cpp:63 #, fuzzy msgid "Rotate to Standard &Orientation" msgstr "&Orientazio Standardera Errotatu" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy msgid "Scale Cell &Volume…" msgstr "Gelaxka &Bolumenera Eskalatu…" #: qtplugins/crystal/crystal.cpp:74 #, fuzzy msgid "Build &Supercell…" msgstr "&Super Gelatxoa" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Gelaxka murriztu (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "&Crystal" msgstr "Kristal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Gelaxka &Unitatea kendu" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Gelaxka &Unitatea gehitu" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 #, fuzzy #| msgid "&Keep atoms in unit cell" msgid "Wrap atoms into the unit cell." msgstr "Atomoak gelaxka unitatean mantendu." #: qtplugins/crystal/crystal.cpp:177 #, fuzzy #| msgid "Rotate to Standard Orientation" msgid "Rotate the unit cell to the standard orientation." msgstr "Orientazio Estandarderaino Errotatu" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 #, fuzzy msgid "The unit cell is already reduced." msgstr "Gelaxka unitatea hau dagoeneko." #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "Kristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Marraztu" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Marraztu Atomoa" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Distantzia:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Bakuna" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Bikoitza" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Hirukoitza" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 #, fuzzy msgid "&Import" msgstr "&Inportatu" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Erakutsi PDB-tik" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Deskargatzeko estruktura kimikoa" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Sareko Deskarga Huts Egin Du!" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Sarearen denbora agortu da edo beste akats bat omen dago." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Zehaztu den molekula ezin izan da aurkitu: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Erakutsi PDB-tik" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 #, fuzzy msgid "Optimize Geometry" msgstr "Geometria Optimizatu" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy #| msgid "Configure Job" msgid "Configure…" msgstr "Konfiguratu…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy #| msgid "Import Selected Atoms" msgid "Freeze Selected Atoms" msgstr "Atomo Hautatuak Konpondu" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "Kalkulatu" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Energia %1 = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield optimization" msgstr "Indar-eremuen Optimizazioa" #: qtplugins/forcefield/forcefield.h:50 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" msgstr "Indar-eremuen Optimizazioa" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "&GAMESS" msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "GAMESS Sarrera" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "Energia-Puntu Bakarra" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Geometria Oreka" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Trantsizio Egoera" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Maiztasunak" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Nukleoaren Potentziala" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gasa" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Ura" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Bakarra-t" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Bikoitza-t" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Hirukoitza-t" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Katioi (+2)" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Katioi (+1)" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neutroa" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anioi (-1)" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Anioi (-2)" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Doitu Hidrogenoak" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Gehitu Hidrogenoak" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Ezabatu Hidrogenoak" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "&Hidrogenoak" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrogenoak" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 #, fuzzy #| msgid "DNA/RNA..." msgid "DNA/RNA…" msgstr "ADN/ARN…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Txertatu" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy #| msgid "Insert DNA/RNA" msgid "Insert DNA/RNA…" msgstr "ADN/ARN-a sartu…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "Uraziloa" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "Timina" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy #| msgid "Insert DNA" msgid "InsertDNA" msgstr "ADN-a sartu" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "Molekula…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Kristal…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "Kristala Inportatu" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Txertatu zatia" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Txertatu zatia" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Txertatu zati molekularrak molekula handiagoak bihur daitezen" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "Kolorea:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Ezer ez" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "ID Bakarra" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Elementua" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 #, fuzzy #| msgid "&LAMMPS..." msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Aurrebistako textua eguneratu nahiko zenuke, Lammps-ek input atalean " "egindako aldaketa guztiak galduz?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Opakotasuna:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 #, fuzzy msgid "No descriptors found!" msgstr "Azalpenik Ez!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipulatu" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Neurtu" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Diedroa:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Angelua:" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "Angelua:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(zain)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy #| msgid "Molecular Graph..." msgid "&Molecular…" msgstr "&Molekularra…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 #, fuzzy msgid "&Analysis" msgstr "&Analitika" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Ezaugarriak" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Propietate Molekularrak" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Propietate Molekularrak" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 #, fuzzy #| msgid "WFN files (*.wfn);;All files (*.*)" msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV fitxategiak (.*csv);;Fitxategi guztiak (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 #, fuzzy #| msgid "Could not open file '%1' for writing." msgid "Could not open the file for writing." msgstr "Ezin da '%1' artxiboa ireki idazteko." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy msgid "Export…" msgstr "Esportatu…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Nabigatu" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Nabigatzeko tresna" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Izen Kimikoa" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 #, fuzzy msgid "Configure Force Field…" msgstr "Konfigurazio Behartutako Eremua…" #: qtplugins/openbabel/openbabel.cpp:59 #, fuzzy #| msgid "Conformer Search" msgid "Conformer Search…" msgstr "Egokitzaile-Bilaketa…" #: qtplugins/openbabel/openbabel.cpp:65 #, fuzzy msgid "Perceive Bonds" msgstr "Loturak hauteman" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Gehitu Hidrogenoak pH-rentzat…" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "Ezabatu Hidrogenoak" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Geometria Optimizatu (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "%1 ibilbide-artxiboa ez da bat etortzen atomoen kantitatearekin molekula " "honetan" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Gehitu Hidrogenoak (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "Gehitu Hidrogenoak pH-rentzat" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Ezabatu Hidrogenoak (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Gustatuko litzaizuke aurreko testua eguneratzea, OpenMM sartzeko kubierta " "aurreikusteko panelean egindako aldaketa guztiak ezabatzen?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Geldi" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 #, fuzzy msgid "Dynamic bonding?" msgstr "Lotura Dinamikoak" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "bideo-artxiboak (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Balentzia" #: qtplugins/propertytables/propertymodel.cpp:503 #, fuzzy msgid "Formal Charge" msgstr "Karga Formala" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "Kolorea" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Atomoa" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Mota" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "Hasierako Atomoa" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Amaierako Atomoa" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Loturen Ordena" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Luzera (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 #, fuzzy msgid "Chain" msgstr "Kateak" #: qtplugins/propertytables/propertymodel.cpp:556 #, fuzzy msgid "Secondary Structure" msgstr "Bigarren estruktura" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Atomo 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Erpina" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Atomoa 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Angelua (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Atomoa 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Atomoa 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "Helizea" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "Helizea" #: qtplugins/propertytables/propertymodel.cpp:939 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "Orria" #: qtplugins/propertytables/propertymodel.cpp:941 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 Helizea" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "Propietate Atomikoak…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "Loturaren Propietateak…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Propietate Angeluarrak…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy #| msgid "Torsion Properties" msgid "Torsion Properties…" msgstr "Tortsioaren Propietateak…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "Atomo-, lotura-, angelu- eta tortsio-propietateak ikusteko leihoa." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Ezaugarriak" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Propietate Atomikoak" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Loturaren Propietateak" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Propietate Angeluarrak" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Tortsioaren Propietateak" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Egokitzailearen Propietateak" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 #, fuzzy #| msgid "Molecular Graph..." msgid "Molecular Graph…" msgstr "Grafiko Molekularra…" #: qtplugins/qtaim/qtaimextension.cpp:48 #, fuzzy #| msgid "Molecular Graph with Lone Pairs..." msgid "Molecular Graph with Lone Pairs…" msgstr "Grafiko Molekularra Bikote Bakartiekin…" #: qtplugins/qtaim/qtaimextension.cpp:55 #, fuzzy #| msgid "Atomic Charge..." msgid "Atomic Charge…" msgstr "Karga Atomikoa…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Open WFN Fitxategia" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN fitxategiak (.*wfn);;Fitxategi guztiak (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM extentsioa" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 #, fuzzy #| msgid "Select by Element..." msgid "Select by Element…" msgstr "Elementuz Hautatu…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Residue…" msgstr "Hondakinez Hautatu…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Hautatu" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "Hautatu" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Hautatutakoa" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 #, fuzzy msgid "Paint Atoms" msgstr "Hasierako Atomoa" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 #, fuzzy msgid "Perceive Space Group…" msgstr "Espazio taldea hauteman…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "Simetrizatu" #: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Bete Gelatxo Unitarioa…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "Unitate Asimetrikora murriztu" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "Space Group" msgstr "Espaziotaldea" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 #, fuzzy msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Espazio taldearen hautemateak porrot egin du.\n" "\n" "Beste tolerantzia ezberdin batekin berriz saiatu nahiko zenuke?" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "Nazioartekoa" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "Atari" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:385 #, fuzzy msgid "Select Space Group" msgstr "Espazio taldea aukeratu" #: qtplugins/spacegroup/spacegroup.h:24 #, fuzzy msgid "SpaceGroup" msgstr "Espaziotaldea" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgid "Spectra" msgid "Spectra" msgstr "Espektrua" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "Infragorria" #: qtplugins/spectra/spectradialog.cpp:440 #, fuzzy #| msgctxt "Raman spectrum" #| msgid "Raman" msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 #, fuzzy #| msgid "electron" msgid "Electronic" msgstr "elektroi" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 #, fuzzy #| msgid "&Density Of States Settings" msgid "Density of States" msgstr "Estatuen Dentsitatearen" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Atzealdeko Kolorea Hautatu" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Hautatu Lehenengo Planoaren Kolorea" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "Hautatu Kalkulatutako Kolore Espektrua" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "Hautatu Inportatutako Kolore Espektrua" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 #, fuzzy #| msgid "Wavenumber (cm-1)" msgid "Wavenumbers (cm⁻¹)" msgstr "Uhin-zenbakia (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 #, fuzzy #| msgid "Import Spectra" msgid "Raman Spectra" msgstr "Raman Espektrua" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 #, fuzzy #| msgid "Intensities" msgid "Intensity" msgstr "Intentsitateak" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 #, fuzzy #| msgid "Shift (ppm)" msgid "Chemical Shift (ppm)" msgstr "Modulazioa (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Energia (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Orbitala" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Simetria" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Egoera" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "Altuen Okupatutako OM" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "Hondoen Ezokupatutako OM" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Orbital molekularra" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Elektroien Dentsitatea" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "Orbital Molekularra %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(Altuen Okupatutako OM)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(Hondoen Ezokupatutako OM)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Create Surfaces" msgid "Create Surfaces…" msgstr "Azalerak Sortu…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 #, fuzzy msgid "Calculating electron density" msgstr "Kalkulatzen Elektroien Dentsitatea" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Azalerak" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 #, fuzzy #| msgid "Symmetry" msgid "Symmetry…" msgstr "Simetria…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, fuzzy, qt-format msgid "Group %1" msgstr "Talde %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "Bibrazioa" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, fuzzy, qt-format #| msgid "G03 failed to start." msgid "Error: %1 failed to start" msgstr "%1 huts egin du hasieran" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Elkarrizketa" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Inprimakia" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "Txertatu zatia…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Iragazkia:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Sartu izen bat edo izen baten zati bat, horrekin bat egiten duten " "fitxategiak erakusteko." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Sartu" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Indar-eremua:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Ondo egin da!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial Charge" msgid "Partial Charges" msgstr "Karga Partziala" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formatua:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Ezarri" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Berrezarri Guztia" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Lehenespenak" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Gorde Artxiboa" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Oinarrizko Konfigurazioa" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Izenburua:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Kalkulatu:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Metodoa:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Super-Gelatxoaren Aukerak" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A errepikatu:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B errepikatu:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C errepikatu:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Ezarri" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Ezkutatu" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Gelaxka unitatearen bolumena eskalatu" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "TestuMarka" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Loturen Ordena:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS Sarrera" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Sarrera:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Anizkoiztasuna:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Honekin:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Karga:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "izena" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Azido Nukleikoak Sartu" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "ADN/ARN Eraikitzailea" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "ADN" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "ARN" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Azido Nukleikoak:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Zitosina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy #| msgid "G" msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy #| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Sekuentzia:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "Base bikote kopurua helizearen biraketa bakoitzeko" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other" msgid "Other" msgstr "Bestelakoa" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Baseak Biraketa Bakoitzeko:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Bakuna" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Bikoitza" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" "Simulazioan zehar idatzia izango den XYZ fitxategiaren fitxategi izena." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "erreal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metala" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elektroi" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Ur Potentziala" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "angelua" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomikoa" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "lotura" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "karga" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipoloa" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "elipsoidea" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "osoa" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "lerroa" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molekularra" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "esfera" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "uhin paketea" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Koordenatu fitxategiarentzako izena zehaztu." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Koordenatuen datu fitxategia." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Multzoa" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Tenperatura" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Nosé-Hoover kateen kopuru bat zehaztu NVT multzoan." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "NH Kateak" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Simulazioaren denbora pausua, \"Unitateak\" zehazpenarekin bat datozenak." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Denbora Pausua" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" "Simulazioan zehar idatzia izango den XYZ fitxategiaren fitxategi izena." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "XYZ bolkatu" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Sistemaren dimentsio kopurua." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimentsioak" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Z mugaren stiloa aldatu." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "fm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Y mugaren estiloa aldatu." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "X mugaren estiloa aldatu." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) #, fuzzy #| msgid "Select bondary Styles in X, Y and Z directions." msgid "Select boundary Styles in X, Y and Z directions." msgstr "Muga estiloak aukeratu X, Y eta Z norabideetan." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Muga" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Errepikapen kopurua X, Y eta Z norabideetan." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Errepikatu" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Errepikatu X norabidean." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Errepikatu Y norabidean." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Errepikatu Z norabidean." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Simulazioan egin beharreko pausu kopuru totala." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Pausu kopuru Totala" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Bolkatze tartea" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Simulazioarentzako hasierako atomoen azkartasunak." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Hasierako Azkartasunak" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Aukeratu atomoentzako hasierako azkartasun banaketa" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gausiarra" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "uniformea" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" "Hasierako atomoen azkartasunak dohitu tenperatura honekin bat egin dezaten." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Sistemaren momentu lineala hasierako azkartasunetatik kendu." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Zero Momentu Lineala" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Sistemaren momentu angeluarra hasierako azkartasunetatik kendu." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Zero Momentu Angeluarra" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Simulazioan zehar output termodinamikoa kontrolatu." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Output Tartea" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Output termodinamikoaren estiloa." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Lerro Bakarra" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Hain bat lerro" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Forma Erabili" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Translatu honen beste:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Honen inguruan errotatu:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Jatorria" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X-ardatza" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y-ardatza" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z-ardatza" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Egokitzaile-Bilaketa" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Metodoa" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Number of conformers" msgid "Number of conformers:" msgstr "Egokitzaile kopurua:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Errotore sistematikoa bilatu" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Ausazko errotore bilaketa" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Pisuzko errotore bilaketa" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Algoritmo genetiko bidezko bilaketa" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Algoritmo genetikoaren aukerak" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy #| msgid "Children" msgid "Children:" msgstr "Semeak" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Mutability" msgid "Mutability:" msgstr "Mutagarritasuna" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "RMSD" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Gradientearen malda" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Indar-eremua:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Erreferentzia" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Bakuna" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Bikoitza" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Mugak" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Tenperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Energia Totala" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Uhin-luzera:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Puntu Kritikoko Erradioa:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Kobalentea" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Tamainu Konstantea" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy #| msgid "Scale &Factor:" msgid "Scale Factor:" msgstr "Eskalatze Faktorea" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Width:" msgid "Peak Width:" msgstr "Zabalera:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) #, fuzzy #| msgid "Threshold:" msgid "Peak Threshold:" msgstr "Atalasea:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Itxura" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Erakutsi" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "tsv edo espektro esperimental bat inportatzen du gaininprimatzeko." #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Inportatu..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Ezarri Kolorea..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Espektro Inportatua:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Esportatu..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Atzeko Planoa:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Export Calculated Spectrum" msgid "Calculated Spectra:" msgstr "Kalkulatutako Espektrua:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy #| msgid "10e-" msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Datuak Esportatu" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Itxi" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Kontrolak:\n" "Klik bikoitza ezkerreko botoian: Ezarri hasierako ardatz limiteak\n" "Klik eskuineko botoian + arrastatu: Mugitu adierazpidea\n" "Klik erdiko botoian + arrastatu: Zoom \n" "Mugitu gurpila: Zoom kurtsorerantz" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "&Kargatu datuak..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Kalitatea: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Baxua" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Ertaina" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Altua" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Oso Altua" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Azalerak Sortu" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Kolorea ezarri:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy #| msgctxt "Electrostatic potential surface type" #| msgid "Electrostatic Potential" msgid "Electrostatic Potential" msgstr "Potentzial Elektrostatikoa" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Bereizmena:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Isoazaleraren Valioa:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " K" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Argia" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Kalkulatu" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolerantzia:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Hetsia" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normala" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Laxo" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Simetria detektatu" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) #, fuzzy msgid "Formal Charge:" msgstr "Karga Formala" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "1: Linear" msgstr "Lineala" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "2: Linear" msgstr "Lineala" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "Mota:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Talde" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Talde:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Anplitudea:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #, fuzzy msgid "Start Animation" msgstr "Hasi Animazioa" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) #, fuzzy msgid "Stop Animation" msgstr "Gelditu Animazioa" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) #, fuzzy msgid " eV" msgstr "eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) #, fuzzy #| msgid "" #| "\n" #| "\n" #| "

      " msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" "\n" "\n" "

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Ander González, ,Launchpad Contributions:,Ander " "González,Avogadro Team, ,Launchpad Contributions:,Ander González,Avogadro " "Team, ,Launchpad Contributions:,Ander González,Avogadro Team, ,Launchpad " "Contributions:,Ander González,Avogadro Team, ,Launchpad Contributions:,Ander " "González,Avogadro Team, ,Launchpad Contributions:,Ander González,Avogadro " "Team,Julen Larrucea" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,,,avogadro-devel@lists.sourceforge.net,,,,avogadro-devel@lists." "sourceforge.net,,,,avogadro-devel@lists.sourceforge.net,,,,avogadro-" "devel@lists.sourceforge.net,,,,avogadro-devel@lists.sourceforge.net,,,," "avogadro-devel@lists.sourceforge.net,julenl@gmail.com" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #, fuzzy #~ msgid "eV)" #~ msgstr "eV" #~ msgid "Partial Charge" #~ msgstr "Karga Partziala" #, fuzzy #~| msgid "" #~| "Draw Tool (F8)\n" #~| "\n" #~| "Left Mouse: \tClick and Drag to create Atoms and Bonds\n" #~| "Right Mouse: \tDelete Atom" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Marrazketa Tresna (F8)\n" #~ "\n" #~ "Saguko ezker botoia: \t Klikatu eta tiratu Atomoak eta Loturak sortzeko\n" #~ "Saguko eskuin botoia: \t Atomoa ezabatu" #, fuzzy #~| msgid "" #~| "Click to Measure (F12)\n" #~| "\n" #~| "Left Mouse: \tSelect up to three Atoms.\n" #~| "\tDistances are measured between 1-2 and 2-3\n" #~| "\tAngle is measured between 1-3 using 2 as the common point\n" #~| "Right Mouse: \tReset the measurements.Double-Click: \tReset the view." #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Klikatu Neurtzeko (F12)\n" #~ "\n" #~ "Saguko ezker botoia: \t Aukeratu batetik hiru Atomorarte.\n" #~ "\t Distantziak 1-2 eta 2-3-ren arten neurtuko dira\n" #~ "\t Angelua 1-3-ren artean neurtuko da 2-a puntu komuna izanik\n" #~ "Saguko eskuin botoia: \t Neurketak berrezarri. Klik bikoitza: \t " #~ "Ikuspuntua berrezarri." #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animazioa" #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals" #, fuzzy #~| msgid "" #~| "Draw Tool (F8)\n" #~| "\n" #~| "Left Mouse: \tClick and Drag to create Atoms and Bonds\n" #~| "Right Mouse: \tDelete Atom" #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Marrazketa Tresna (F8)\n" #~ "\n" #~ "Saguko ezker botoia: \t Klikatu eta tiratu Atomoak eta Loturak sortzeko\n" #~ "Saguko eskuin botoia: \t Atomoa ezabatu" #~ msgid "Geometry" #~ msgstr "Geometria" #~ msgid "Add Unit Cell" #~ msgstr "Gelaxka Unitatea gehitu" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Atomo Aurkibideak" #, fuzzy #~ msgid "By Distance" #~ msgstr "Distantzia" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Atomo Aurkibideak" #, fuzzy #~ msgid "&Copy" #~ msgstr "Kopiatu Guztia" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "IUPAC-en bidezko Molekularen Izena:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Pisu Molekularra (g/mol)" #~ msgid "Chemical Formula:" #~ msgstr "Formula Kimikoa:" #~ msgid "Number of Atoms:" #~ msgstr "Atomo Kopurua:" #~ msgid "Number of Bonds:" #~ msgstr "Lotura Kopurua:" #~ msgid "TODO" #~ msgstr "EGITEKOA" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Saltoaren Tamaina" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "Optimizazioa" #, fuzzy #~ msgid "In." #~ msgstr "Sarrera:" #~ msgid "ABPS Input (*.in)" #~ msgstr "ABPS Sarrera (*.in)" #, fuzzy #~| msgid "Fragments" #~ msgid "Fragment…" #~ msgstr "Fragmentuak" #, fuzzy #~| msgid "DFT Functional" #~ msgid "Functional Groups" #~ msgstr "DFT Funtzionala" #~ msgid "Other..." #~ msgstr "Beste batzuk..." #, fuzzy #~ msgid "Filename" #~ msgstr "Artxibo-Izena:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Kargatu fitxategia" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Nabigatu" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Nabigatu" #~ msgid "OK" #~ msgstr "Ados" #~ msgid "Cancel" #~ msgstr "Ezeztatu" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Elementuaren izena" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Fitxategi guztiak" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Romboedrikoa" #~ msgid "Layer" #~ msgstr "Geruza" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molekula" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Setatutako Molekularik ez" #, qt-format #~ msgid "%1: File exists and is not writable." #~ msgstr "%1: Fitxategia existitzen da eta idazgarria da." #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #~ msgid "Fragment..." #~ msgstr "Zatitu..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Kristal..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Gehitu Hidrogenoak pH-rentzat" #~ msgid "Atom Properties..." #~ msgstr "Propietate Atomikoak..." #~ msgid "Bond Properties..." #~ msgstr "Loturaren Propietateak..." #~ msgid "Angle Properties..." #~ msgstr "Propietate Angeluarrak..." #~ msgid "Torsion Properties..." #~ msgstr "Tortsioaren Propietatek..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Propietate Molekularrak..." #~ msgid "Create Surfaces..." #~ msgstr "Azalerak Sortu..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Simetria" #~ msgid "Insert Fragment..." #~ msgstr "Txertatu Zatia..." #~ msgid "Theory:" #~ msgstr "Teoria:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Distantzia (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Biragarria" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Konformeroa %1\n" #~ "Luzeera %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Konformeroa %1\n" #~ "Angelua %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angelu %1" #~ msgid "Angle" #~ msgstr "Angelua" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Konformeroa %1\n" #~ "Tortsioa %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Tortsio %1" #~ msgid "Torsion" #~ msgstr "Tortsio" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energia (kJ/mol)" #~ msgid "Yes" #~ msgstr "Onartu" #~ msgid "No" #~ msgstr "Ukatu" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Sarrera Sortzailea..." #, fuzzy #~ msgid "Import" #~ msgstr "Inportatu" #~ msgid "Insert SMILES" #~ msgstr "SMILES-ak Txertatu" #~ msgid "Insert SMILES fragment:" #~ msgstr "SMILES zatiak txertatu" #~ msgid "Insert Crystal" #~ msgstr "Kristala Sartu..." #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Txertatu zati molekularrak molekula handiagoak bihur daitezen" #~ msgid "E&xtensions" #~ msgstr "H&edapenak" #~ msgid "Symmetry Properties..." #~ msgstr "Simetri Propietateak..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Geometria Optimizatu" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometriaren Optimizazioa" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Gehitu Hidrogenoak" #, fuzzy #~ msgid "Stopped" #~ msgstr "Geldi" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Azalerak" #~ msgid "Color by Index" #~ msgstr "Koloreen Aurkibidea" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Koloreen Aurkibidea (gorria, laranja, horia, berdea, urdina, morea)." #~ msgid "Color by Partial Charge" #~ msgstr "Kolorea Karga Partzialez Ezarri" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Kolorea karga atomiko partzialez ordenatu (urdina positiboa, gorria " #~ "negatiboa)" #~ msgid "Custom Color:" #~ msgstr "Kolore Egokitua:" #~ msgid "Set custom colors for objects" #~ msgstr "Kolore egokituak objetuentzat erabili" #~ msgid "Color by Distance" #~ msgstr "Kolorea Distantziaz Jarri" #~ msgid "Color by distance from the first atom." #~ msgstr "Kolorea lehenengo atomoarekiko distantziaz jarri." #~ msgid "Color by Element" #~ msgstr "Kolorea elementuz jarri" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Kolorea elementuz jarri (C = grisa, O = gorria, ...)" #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Kolorea Hondakinez Jarri (aminoazidoak, hidrofobizitatea, ...)" #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS Diseinua:" #~ msgid "Highlight Color:" #~ msgstr "Kolore Argienak:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Kolorea SMARTS Diseinuaz jarri" #~ msgid "Ununtrium" #~ msgstr "Ununtrio" #~ msgid "Ununpentium" #~ msgstr "Ununpentio" #~ msgid "Ununseptium" #~ msgstr "Ununseptio" #~ msgid "Ununoctium" #~ msgstr "Ununoctio" #~ msgid "Engines" #~ msgstr "Motoreak" #~ msgid "Axes" #~ msgstr "Ardatzak" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "x, y eta z ardatzak hasierara bueltatzen ditu" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Puntuak (atomoak) eta barrak (loturak) erabiliz errenderizatzen du" #~ msgid "Dipole" #~ msgstr "Bipolarra" #~ msgid "Hydrogen Bond" #~ msgstr "Hidrogeno Loturak" #~ msgid "Renders hydrogen bonds" #~ msgstr "Hidrogenoen loturak errenderizatzen ditu" #~ msgid "Select Atom Labels Color" #~ msgstr "Atomoen Etiketen Kolorea Hautatu" #~ msgid "Select Bond Labels Color" #~ msgstr "Loturen Etiketen Kolorea Hautatu" #~ msgid "Select Bond Labels Font" #~ msgstr "Loturen Etiketen Letra-tipoa Hautatu" #~ msgid "Polygon" #~ msgstr "Poligonoa" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "" #~ "Atomoak tetraedro-, oktoedro- eta beste poligono-formaz errenderizatzen " #~ "ditu" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Proteinen bizkarrezurra zintez errenderizatzen ditu" #~ msgid "Ring" #~ msgstr "Eraztuna" #~ msgid "Renders rings with colored planes" #~ msgstr "Kolore planozko eraztunez errenderizatzen du" #~ msgid "Simple Wireframe" #~ msgstr "Alanbre Sinple" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "" #~ "Loturak alanbre (lerro) gisa errenderizatzen ditu, apartekoa molekula " #~ "handientzat" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waals-en Esferak" #~ msgid "Stick" #~ msgstr "Makila" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Elektroien dentsitatea, isoazalera = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isoazalera = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Loturak harien (lerro) moduan errenderizatzen ditu, apartekoa oso " #~ "(bio)molekula handientzat" #~ msgid "Trajectory files" #~ msgstr "Tarjektoria fitxategiak" #~ msgid "DL-POLY HISTORY files" #~ msgstr "DL-POLY HISTORIO fitxategia" #~ msgid "Open Trajectory File" #~ msgstr "Trajektoria Fitxategia ireki" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Gehitzen .avi estentzioa" #~ msgid "Animation..." #~ msgstr "Animazioa..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Ezin da %1 artxiboaren formatua irakurri." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Ezin da irakurri %1 ibilbide artxiboa" #~ msgid "Must specify a valid .avi file name" #~ msgstr ".avi artxibo izen onargarri bat adierazi behar da." #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "GL tresna ezin izan da ongi hasieratu bideo-artxiboa gordetzeko" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Bideo-artxiboaren izen ezonargarria. Direktorioaren ibilbide osoa " #~ "adierazi behar da" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Bideo-artxiboaren izen ezonargarria. Direktorioaren ibilbide osoa eta " #~ "izena adierazi behar dira, izena .avi-z amaitu behar da" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Ezinezkoa izan da %1 fitxategiko formatua zeaztea." #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Ibilbideak, erreakzioak eta bibrazioak animatu." #~ msgid "Cartesian Editor" #~ msgstr "Editore Kartesiarra" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Ez dago zelula unitariorik zehaztuta molekula honentzat -- ezin dira " #~ "erabili frakzio-koordenadak" #~ msgid "Cartesian Editor..." #~ msgstr "Editore Kartesiarra..." #~ msgid "Cartesian editor" #~ msgstr "Editore kartesiarra" #~ msgid "Number of atoms: %1" #~ msgstr "Atomo kopurua: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Lotura biragarrien kopurua: %1" #~ msgid "Add constraint" #~ msgstr "Muga gehitu" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "Zure molekula muga bat gehitzeko atomo bat izan behar du gutxienez" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Zure molekula lotura-muga bat gehitzeko bi atomo izan behar ditu gutxienez" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Zure molekula angelu-muga bat gehitzeko hiru atomo izan behar ditu " #~ "gutxienez" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Zure molekula bihurdura-muga bat gehitzeko lau atomo izan behar ditu " #~ "gutxienez" #~ msgid "&Crystallography" #~ msgstr "&Kristalografia" #~ msgid "&Reduce" #~ msgstr "&Murriztu" #~ msgid "&Length Unit" #~ msgstr "&Luzera Unitatea" #~ msgid "&Angle Unit" #~ msgstr "&Angelu Unitatea" #~ msgid "&Coordinate Display" #~ msgstr "&Koodenatuak Erakutsi" #~ msgid "Coordinate &Preservation" #~ msgstr "Koodenatuak &Mantendu" #~ msgid "&Matrix Display" #~ msgstr "&Matrizea erakutsi" #~ msgid "Hide &Editors" #~ msgstr "Eskutatu &Editoreak" #~ msgid "Show &Editors" #~ msgstr "Erakutsi &Editoreak" #~ msgid "Hide &Property Display" #~ msgstr "Eskutatu &Propietateen leihoa" #~ msgid "Show &Property Display" #~ msgstr "Erakutsi &Propietateen leihoa" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Sare Mota: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Talde espaziala: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Gelaxka unitatearen bolumena: %L1%2" #~ msgid "Undefined" #~ msgstr "Definitu gabea" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triklinikoa" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoklinikoa" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ortorombikoa" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonala" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonala" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Kubikoa" #~ msgid "Paste Crystal" #~ msgstr "Krisitala txertatu" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Niggli-erredukzioak porrot egin du. Input egituraren sareak Niggli-" #~ "erredukzio algoritmoa nahasten ari da. Input sareareari perturbazio txiki " #~ "bat egiten saitu (gutxi gora behera tolerantzia baino magnitude orden 2 " #~ "txikiagoa dena)." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Gelaxkaren murrizpenak 1000 iterazio ondoren porrot egin du. Gelditzen." #~ msgid "&Slab..." #~ msgstr "&Lauza..." #~ msgid "Perceive Space&group..." #~ msgstr "Espazio&taldea hauteman..." #~ msgid "Set &Spacegroup..." #~ msgstr "Espazio&taldea ezarri..." #~ msgid "&Fill Unit Cell" #~ msgstr "Gelaxka Unitatea &Bete" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Gelaxka unitatea bete egungo espazio taldea erabiliz." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Unitate &Asimetrikora Murriztu" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "" #~ "Posizio baliokidea duten atomoak ezabatu (Gelaxka Unitatea Beteren " #~ "aurkakoa)." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Kristala Sy&metrizatu" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Gelaxka Murriztu (&Jatorrizkoa)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometro" #~ msgid "&Picometer" #~ msgstr "&Picometro" #~ msgid "&Degree" #~ msgstr "&Graduak" #~ msgid "&Radian" #~ msgstr "&Erradianak" #~ msgid "Display &cartesian coordinates" #~ msgstr "Koordenatu &kartesiarrak erakutsi" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Koordenatu &Kartesiarrak Mantendu Gelaxka Aldaketetan Zehar" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Koordenatu %Zatikatuak Mantendu Gelaxkaren Eraldaketan Zehar" #~ msgid "Display &cartesian matrix" #~ msgstr "Matrize &kartesiarra erakutsi" #~ msgid "Display &fractional matrix" #~ msgstr "Matrize &zatikatua erakutsi" #~ msgid "Display as &column vectors" #~ msgstr "&Zutabe bektoreak erakutsi" #~ msgid "&Crystal View Options..." #~ msgstr "&Kristala ikusteko aukerak..." #~ msgid "" #~ "

      Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

      Cell can be symmetrized into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

      " #~ msgstr "" #~ "

      Autemandako espazio taldea %1, Hall ikurra %2, Hermann-Mauguin ikurra " #~ "%3.

      Gelaxka ezarpen arruntera simetrizatua izan daiteke, hori egin " #~ "nahi duzu? Simetria erabiltzen duten ekintzek (ad. supergelaxka " #~ "eraikitzailea) hau behar dute.

      " #~ msgid "Set Spacegroup" #~ msgstr "Espazio taldea ezarri" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Ez da dokumentu honentzako espazio talderik zehaztu.\n" #~ "\n" #~ "Espazio talde bat ezarri nahiko zenuke?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "P1 Espazio taldea hauteman da -- ezin da espazio talde hau simetrizatu.\n" #~ "\n" #~ "Beste tolerantzia ezberdin batekin berri saiatu nahiko zenuke?" #~ msgid "Symmetrize Crystal" #~ msgstr "Kristala Simetrizatu" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Niggli gelaxkara murriztu" #~ msgid "Crystallography" #~ msgstr "Kristalografia" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Egitura periodikoak eraiki eta analizatu." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "Inputa ez dago ondorengo euskarridun\n" #~ "formatuetako batean formateatuta:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "VASP Formatua\n" #~ msgid "Bad Compostion" #~ msgstr "Konposizio txarra" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "Identitateen atalak POSCAR-eko 6. lerroan bezain besteko espazioez " #~ "banaturiko sarrerak izan behar ditu." #~ msgid "Cartesian Coordinates" #~ msgstr "Koordenatu kartesiarrak" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Gelaxka Matrizea (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Gelaxka unitatearen matrizea ezarri" #~ msgid "Set Unit Cell Params" #~ msgstr "Gelaxka Unitate Parametroak Ezarri" #~ msgid "Working..." #~ msgstr "Lanean..." #~ msgid "Build" #~ msgstr "Eraiki" #~ msgid "No GLWidget?" #~ msgstr "GLWidget-ik ez?" #~ msgid "Please select one or more atoms." #~ msgstr "Mesedez aukeratu atomo bat edo gehiago." #~ msgid "Trajectory..." #~ msgstr "Ibilbidea..." #~ msgid "Open chemical file format" #~ msgstr "Ireki artxibo kimikoko formatua" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Artxibo kimikoak (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Ireki parametro-artxiboa" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Artxibo kimikoak (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Ibilbidea Inportatu" #~ msgid "Import trajectory files" #~ msgstr "Ibilbide-artxiboak inportatu" #~ msgid "Calculate Energy" #~ msgstr "Energia Kalkulatu" #~ msgid "Conformer Search..." #~ msgstr "Bilaketa Egokitua..." #~ msgid "Constraints..." #~ msgstr "Mugak..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Ezin da konfiguratu hautatutakoaren indar-eremua molekula honentzako. UFF-" #~ "ra aldatzen" #~ msgid "Geometric Optimization" #~ msgstr "Optimizazio Geometrikoa" #~ msgid "Systematic Rotor Search" #~ msgstr "Errotore Sistematikoaren Bilaketa" #~ msgid "Random Rotor Search" #~ msgstr "Auzazko Errotore Bilaketa" #~ msgid "Weighted Rotor Search" #~ msgstr "Errotore Pisudunaren Bilketa" #~ msgid "Genetic Algorithm Search" #~ msgstr "Algoritmo Genetiko bidez Bilatu" #~ msgid "ForceField" #~ msgstr "Indar-Eremua" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Molekulak optimizatu eta egokitzaileak sortu mekanika molekularraren " #~ "indar-eremuak erabiliz" #~ msgid "&Vector Graphics..." #~ msgstr "&Bektore Grafikoak..." #~ msgid "Common vector image formats" #~ msgstr "Ohiko bektore irudi formatuak" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Bektore grafikoen exportaketa" #~ msgid "Change H to Methyl" #~ msgstr "Aldatu H Metil-era" #~ msgid "H to Methyl" #~ msgstr "H Metil-era" #~ msgid "H2Methyl" #~ msgstr "H2Metil" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Hidrogenoak metil-taldeak bihurtu" #~ msgid "Add or remove hydrogens" #~ msgstr "Gehitu edo ezabatu hidrogenoak" #~ msgid "Insert DNA/RNA chains" #~ msgstr "ADN/ARN kateak sartu" #~ msgid "Peptide..." #~ msgstr "Peptido..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Sekuentzia oligopeptidoak txertatu" #~ msgid "Invert Chirality" #~ msgstr "Kiralitea Inbertitu" #~ msgid "InvertChiral" #~ msgstr "KiraliteteaInbertitu" #~ msgid "Invert chiral centers" #~ msgstr "Zentru kiralak inbertitu" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "ezezaguna" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Momentu Bipolarra Estimatua (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Erakutsi adierazitako propietate molekularrak." #~ msgid "Fetch by chemical name..." #~ msgstr "Erakutsi izen kimikoz..." #~ msgid "Fetch from URL..." #~ msgstr "Erakutsi URL-tik" #~ msgid "PDB Entry" #~ msgstr "PDB Sarbidea" #~ msgid "PDB entry to download." #~ msgstr "Deskargatzeko PDB sarbidea" #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "Deskargatzeko molekularen URL-a" #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Zehaztu den molekula ezin izan da kargatu: %1" #~ msgid "Network Fetch" #~ msgstr "Erakutsi Sarea" #~ msgid "Fetch molecule files over the network." #~ msgstr "Erakutsi artxibo molekularrak sare osotik." #~ msgid " No vibration data found!" #~ msgstr " Ez da bibrazio datarik aurkitu!" #~ msgid " No vibration data found or molecule changed outside Orca Plugin!" #~ msgstr "" #~ " Ez da bibrazio datarik aurkitu edo molekulak aldatu egin du Orca " #~ "Pluginetik kanpo!" #~ msgid "Read Orca Outputfile" #~ msgstr "Orca-ren Output fitxategia irakurri" #~ msgid "no file found" #~ msgstr "ez da fitxategia aurkitu" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Zerbait txarto dago fitxategiaren egituran" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "Zerbait txarto dago fitxategiaren egituran - gelaxka unitatea" #~ msgid "Something is wrong in the IR output! " #~ msgstr "IR-aren outputean akatsen bat dago! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "raman outputean akatsen bat dago! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "Orbitalen energiaren outputarekin zerbait txarto dago! " #~ msgid "No geometry found in file!" #~ msgstr "Ez da geometriarik aurkitu fitxategian!" #~ msgid "" #~ "Molecule of the file does not fit the actual molecule structure! \n" #~ " Would you like to override the actual molecule?" #~ msgstr "" #~ "Fitxategiko molekulak ez dator bat egungo egiturarekin!\n" #~ " Egungo molekula gainidatzi nahi duzu?" #~ msgid "Could not read file!" #~ msgstr "Ezinezkoa izan da fitxategia irakurtzea!" #~ msgid "Analyse Orca Output..." #~ msgstr "Orca-ren inputa analizatu..." #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "Orca Test Example" #~ msgstr "Orca Test Adibidea" #~ msgid "Show Preview" #~ msgstr "Erakutsi Aurreikuspena" #~ msgid "Hide Preview" #~ msgstr "Ezkutatu Aurreikuspena" #~ msgid "RijCosX option not available for the selected DFT functional!" #~ msgstr "" #~ "RijCosX aukera ez dago eskuragarri aukeraturiko DFT funtzionalarentzat!" #~ msgid "" #~ "RijCosX not available for the selected DFT functional! \n" #~ "RijCosX option reset!" #~ msgstr "" #~ "RijCosX ez dago eskuragarri aukeraturiko DFT funtzionalarentzat! \n" #~ "RijCosX aukera berezarketa!" #~ msgid " OrcaSpectra::No vibration data found!" #~ msgstr " OrcaSpectra::Ez da datu bibrazionalik aurkitu!" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Gorde POV-Ray argazki errenderizatua" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Argazki-artxiboak (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Ez da hornitu artxibo izen onargarririk." #~ msgid "Does not compute." #~ msgstr "Ezin da konputatu." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Zure eskaera izan da ez egitea errenderizazio zuzenik POV-Ray erabiltzen " #~ "eta POV-Ray artxiboa ez mantentzea. Honek inposatzen du ez duela ezer " #~ "gordeko. Ziur zaude hau nahi duzula?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Ezin da %1 artxiboa sortu. Baimenik al duzu helbide horretan gordetzeko?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray huts egin du hasieran." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Rau huts egin du hasieran. Agian exekutagarrirako helbidea ez da " #~ "zuzenki idatzi." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Sortu POV-Ray artxiboak eta POV-Ray programa komando-lerroa erabiliz " #~ "haiek errenderizatu." #~ msgid "Conformer Properties..." #~ msgstr "Egokitzailearen Propietateak..." #~ msgid "Python Terminal" #~ msgstr "Python Terminala" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Python idazteko terminal interaktiboa" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Aurrebistako textua eguneratu nahiko zenuke, Abinitek input atalean " #~ "egindako aldaketa guztiak galduz?" #~ msgid "Abinit_Input_Deck" #~ msgstr "Abinit_Input_Atala" #~ msgid "Abinit Running." #~ msgstr "Abinit abian." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Abinit abian dago dagoeneko. Mesedez itxaron aurreko kalkulua bukatu arte." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit Ez dago Instalatuta." #~ msgid "The abinit executable cannot be found." #~ msgstr "Ezin da Abinit-en exekutagarria aurkitu." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudoak (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "abinit ez da abiatu. Agian ez dago behar bezala instalatuta." #~ msgid "Running Abinit calculation..." #~ msgstr "Abinit kalkulua Abiatzen..." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit-ek ez du behar bezala abiatu. Agian ez dago behar bezala " #~ "instalatuta." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Dalton Sarrera Artxiboa Sortzeko Abisua" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Gustatuko litzaizuke aurreko testua eguneratzea, Dalton Sarrera " #~ "artxiboaren aurreikuspen panelean egindako aldaketa guztiak ezabatzen?" #~ msgid "QM Matches" #~ msgstr "QM" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP Hautapena..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM Hautapena..." #~ msgid "Delete" #~ msgstr "Ezabatu" #~ msgid "You must make a selection!" #~ msgstr "Zerbai hautatu behar da!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES Bihurketa Eskuraezina" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES Formatu Bihurriketa Eskuraezina!" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "" #~ "Sarrera artxiboak sortzen ditu GAMESS kimika kuantikoko paketeentzat" #~ msgid "Advanced Settings Changed" #~ msgstr "Ezarpen Aurreratuak Aldatu dira" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Ezarpen aurreratuak aldatu dira.\n" #~ "Deuseztatu?" #~ msgid "Advanced Settings Reset" #~ msgstr "Ezarpen Aurreratuak Berrezarri" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Ziur al zaude ezarpen aurreratuak berrezarri nahi dituzula?\n" #~ "Aldaketa guztiak galduko dira!" #~ msgid "Basic Settings Reset" #~ msgstr "Ezarpen Basikoak Berrezarri" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Ziur al zaude ezarpen basikoak berrezarri nahi dituzula?\n" #~ "Aldaketa guztiak galduko dira!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "GAMESS-UK Input Atalal Generadorearen Ohartarazpena" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Aurrebistako textua eguneratu nahiko zenuke, GAMESS-UK-ek input atalean " #~ "egindako aldaketa guztiak galduz?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "GAMESS-UK Input Atala" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussian Sartzeko Kubiertaren Sortzaileko Abisua" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Gustatuko litzaizuke aurreko testua eguneratzea, Gaussian sartzeko " #~ "kubierta berrikusteko panelean egindako aldaketa guztiak ezabatzen?" #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussian Sartzeko Kubierta" #~ msgid "Gaussian Running." #~ msgstr "Gaussian Ibiltzen." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian jadanik dabil. Itxaron beste kalkuluak amaitzen diren arte." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian ez dago Instalatuta" #~ msgid "The G03 executable, cannot be found." #~ msgstr "G03 exekutablea, ezin da aurkitu." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 ez da hasi. Agian ez da ongi instalatu" #~ msgid "Running Gaussian calculation..." #~ msgstr "Gaussian kalkulua ibiltzen..." #~ msgid "G03 Crashed." #~ msgstr "G03 Huts Egin du." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Gaussian ez da ondo ibili. Agian ez da ongi instalatu." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "Lammps Input Atalal Generadorearen Ohartarazpena" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Molpro Sartzeko Kubierta Sortzailearen Abisua" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Gustatuko litzaizuke aurreko testua eguneratzea, Molpro sartzeko kubierta " #~ "aurreikusteko panelean egindako aldaketa guztiak ezabatzen?" #~ msgid "Molpro Input Deck" #~ msgstr "Molpro Sartzeko Kubierta" #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC Sarrerako Abisua" #~ msgid "MOPAC Input Deck" #~ msgstr "MOPAC Sartzeko Kubierta" #~ msgid "MOPAC Running." #~ msgstr "MOPAC Ibiltzen." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC jadanik dabil. Itxaron aurreko kalkuluak amaitu arte." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC ez dago Instalatuta." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "MOPAC exekutablea, ezin da aurkitu." #~ msgid "MOPAC failed to start." #~ msgstr "MOPAC huts egin du hasieran." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC ez da hasi. Agian ez da ongi instalatu." #~ msgid "Running MOPAC calculation..." #~ msgstr "MOPAC kalkulua ibiltzen..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC huts egin du." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "MOPAC ez da zuzenean ibili. Agian ez da ongi instalatu." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "MWChem Sartzeko Kubierta Sortzeko Abisua" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Gustatuko litzaizuke aurreko testua eguneratzea, MWChem sartzeko kubierta " #~ "aurreikusteko panelean egindako aldaketa guztiak ezabatzen?" #~ msgid "NWChem Input Deck" #~ msgstr "MWChem Sartzeko Kubierta" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Psi4 Input Atalal Generadorearen Ohartarazpena" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Aurrebistako textua eguneratu nahiko zenuke, Psi4-ek input atalean " #~ "egindako aldaketa guztiak galduz?" #~ msgid "Psi4 Input Deck" #~ msgstr "Psi4 Input Atala" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem Sartzeko Kubierta Sortzeko Abisua" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Gustatuko litzaizuke aurreko testua eguneratzea, Q-Chem sartzeko kubierta " #~ "aurreikusteko panelean egindako aldaketa guztiak ezabatzen?" #~ msgid "QChem Input Deck" #~ msgstr "QChem Sartzeko Kubierta" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "TeraChem Input Atal Generadorearen Ohartarazpena" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Aurrebistako textua eguneratu nahiko zenuke, TeraChem-ek input atalean " #~ "egindako aldaketa guztiak galduz?" #~ msgid "TeraChem Input Deck" #~ msgstr "TeraChem Input Atala" #~ msgid "Select SMARTS..." #~ msgstr "SMARTS Hautatu..." #~ msgid "Add Named Selection..." #~ msgstr "Gehitu Hautaketa Izenduna..." #~ msgid "SMARTS Selection" #~ msgstr "SMARTS Hautaketa" #~ msgid "SMARTS pattern to select" #~ msgstr "SMARTS eredua hautatzeko" #~ msgid "There is no current selection." #~ msgstr "Ez dago ezer hautatuta." #~ msgid "Add Named Selection" #~ msgstr "Gehitu Izendatutako Hautapena" #~ msgid "Name cannot be empty." #~ msgstr "Izena ezin da hutsik egon." #~ msgid "There is already a selection with this name." #~ msgstr "Beste hautaketa dago jadanik izen horrekin." #~ msgid "Selections" #~ msgstr "Hautaketak" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Hautatu atomoak, loturak, hondakinak..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL Iluntzaileak..." #~ msgid "Open a vertex shader source file" #~ msgstr "Ireki erpin iluntzaileko iturri-artxiboa" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Erpin iluntzaile-artxiboak (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Ireki fragmentu iluntzaileko iturri-artxiboa" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fragmentu iluntzaile-artxiboak (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Ireki iluntzailearen parametro-artxiboa" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Iluntzailearen parametro-artxiboa (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL Iluntzaileak" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Kargatu eta erabili OpenGL 2.0 GLSL iluntzaileak" #~ msgid "Intensity (arb. units)" #~ msgstr "Intentsitatea (arb. unitateak)" #~ msgid "Density of States (states/cell)" #~ msgstr "Estatuen Dentsitatea (estatu/gelaxka)" #~ msgid "Density of States (states/atom)" #~ msgstr "Estatuen Dentsitatea (estatu/atomo)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Estatuen Dentsitatea (estatu/balentzia-elektroi)" #~ msgid "Transmittance (%)" #~ msgstr "Transmisio-Faktorea (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbantzia (%)" #~ msgid "No intensities" #~ msgstr "Intentsitaterik ez" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Kargatu diren bibrazio-datuak molekula honetan ez dute intentsitate " #~ "daturik. Intentsitateei hautazko baloreak ezarri zaizkie ongi " #~ "irudikatzeko." #~ msgid "Activity" #~ msgstr "Jarduera" #~ msgid "X Axis" #~ msgstr "X Ardatza" #~ msgid "Y Axis" #~ msgstr "Y Ardatza" #~ msgid "&Infrared Spectra Settings" #~ msgstr "&Espektru Infragorriaren Ezarpenak" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "&NMR Espektruaren Ezarpenak" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "Estatuen Dentsitatea" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "Ultarmorea" #~ msgid "&UV Settings" #~ msgstr "&Ultramoreko Ezarpenak" #~ msgid "&CD Settings" #~ msgstr "&Dikronismo Zirkularraren Ezarpenak" #~ msgid "&Raman Settings" #~ msgstr "&Raman Ezarpenak" #~ msgid "No data" #~ msgstr "Daturik ez" #~ msgid "Dark" #~ msgstr "Iluna" #~ msgid "Publication" #~ msgstr "Publikazioa" #~ msgid "Handdrawn" #~ msgstr "Eskuz Marraztuta" #~ msgid "New Scheme" #~ msgstr "Eskema berria" #~ msgid "Confirm Scheme Removal" #~ msgstr "Baieztatu Eskema Ezabatzea" #~ msgid "Really remove current scheme?" #~ msgstr "Benetan ezabatu nahi duzu eskema hau?" #~ msgid "Change Scheme Name" #~ msgstr "Aldatu Eskemaren Izena" #~ msgid "Enter new name for current scheme:" #~ msgstr "Eskema berriaren izena idatzi:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Tabuladorez Bereizitako Baloreak (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Tabuladorez Bereizitako Baloreak" #~ msgid "Comma Separated Values" #~ msgstr "Komaz Bereizitako Baloreak" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Espektru Inportazioa" #~ msgid "Unknown extension: %1" #~ msgstr "Estensio Ezezaguna: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR (Infragorrien) datuak (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomole IR (Infragorrien) datuak (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Turbomole (UV) Ultramoreen datuak (control)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Turbomole CD (Dikromismo Zirkularraren) datuak (control)" #~ msgid "Data Format" #~ msgstr "Datuaren Formatua" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Formatua:" #~ msgid "Load Spectral Data" #~ msgstr "Gorde Espektruaren Datuak" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "" #~ "Turbomole Dikromismo Zirkulareko artxiboa txarto formateatuta dago: %1" #~ msgid "Portable Network Graphics" #~ msgstr "Sareko Grafiko Eramangarriak" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Etiketaturiko Argazkien Artxiboen Formatua" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bit-mapa" #~ msgid "Portable Pixmap" #~ msgstr "Pixel-mapa Eramangarria" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bit-mapa" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixel-mapa" #~ msgid "Save Spectra Image" #~ msgstr "Gorde Espektruaren Irudia" #~ msgid "Image successfully written to %1" #~ msgstr "Argazkia ongi idatzi izan da %1 artxibora" #~ msgid "&Advanced <<" #~ msgstr "&Aurreratua <<" #~ msgid "&Advanced >>" #~ msgstr "&Aurreratua >>" #~ msgid "&Spectra..." #~ msgstr "&Espektrua..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Ikusi datu espektralak mekanika kimikoko kalkulutetatik" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Bibrazio-Analisi" #~ msgid "No vibrational displacements exist." #~ msgstr "Ez dira bibrazio-desplazamendurik existitzen." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Ikusi bibrazio-moduak kimika kuantikoko kalkuluetatik" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Salikatzen %1 bibrazioak frekuentziaz..." #~ msgid "Pause" #~ msgstr "Gelditu" #~ msgid "Super Cell Builder..." #~ msgstr "Super Gelatxo-Eraikitzailea..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Dokumentu hau molekula isolatu bakarra da. Gelatxo unitario bat sortu " #~ "behar duzu." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Eraiki eta erakutsi super gelatxo kristalografikoak" #~ msgid "Molecular Orbitals..." #~ msgstr "Orbital Molekularrak..." #~ msgid "Orbitals" #~ msgstr "Orbitalak" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Ezer ez" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Elektroien Dentsitatea" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Akatsa - mota zehaztugabea" #~ msgid "Calculating VdW Cube" #~ msgstr "VdW Kuboa Kalkulatzek" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Kalkulatzen %1 Orbital Molekularra" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "" #~ "Potentzial elektrostatikozko gainazalak ez daude oraindik soportauta." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Kalkulatu orbital molekularrak eta beste azalerak" #~ msgid "&Nanotube Builder..." #~ msgstr "&Nanohodi Eraikitzailea..." #~ msgid "Nanotube Builder" #~ msgstr "Nanohodi Eraikitzailea." #~ msgid "Invalid Nanotube Specification" #~ msgstr "Nanohodi zehazpen baliogabea" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "Eskatutako nanohodia ezin izan da eraiki ondorengo arrazoiarengatik:\n" #~ "\n" #~ "n edo m-ren balioa 1 baino handiagoa izan behar da." #~ msgid "Insert Nanotube" #~ msgstr "Nanohodia Sartu" #~ msgid "SWCNT Builder" #~ msgstr "SWCNT Eraikitzailea" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Orma bakarreko karbono nanohodiak eraiki." #~ msgid "Building..." #~ msgstr "Eraikitzen..." #~ msgid "Display point group symmetry." #~ msgstr "Talde puntualaren simetria erakutsi." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "GL tresna ez zen ongi hasieratua bideo bat egiteko" #~ msgid "GL widget has no molecule" #~ msgstr "GL tresna ez du molekularik" #~ msgid "Building video " #~ msgstr "Bideoa Eraikitzen " #~ msgid "Could not run mencoder." #~ msgstr "Ezin izan da mencoder ibili." #~ msgid "Set Aspect Ratio" #~ msgstr "Izendatu Itxura-Proportzioa" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Avogadro eszena hau %1x%2 pixeleko luzera du, eta ondorioz %3-(e)ko " #~ "itxura proportzioa du.\n" #~ "Balore hauek mantentzea komenigarria da, adibidez POV-Ray erabili nahi " #~ "baduzu\n" #~ "%4x1000 pixeleko argazki bat eraikitzeko, edo beste balore positiborik " #~ "sar daiteke,\n" #~ "adibidez 1 POV-Ray erabiltzeko intentzioa baduzu irudi karratu bat " #~ "eraikitzeko (1000x1000 pixel)." #~ msgid "Save VRML rendered files" #~ msgstr "Gorde VRML errenderizaturiko fitxategiak" #~ msgid "VRML..." #~ msgstr "VRML..." #~ msgid "Connect" #~ msgstr "Konektatu" #~ msgid "Disconnect" #~ msgstr "Deskonektatu" #~ msgid "&WiiTrack" #~ msgstr "&Wii-Bidea" #~ msgid "Wii Tracking" #~ msgstr "Wii Bideratzen" #~ msgid "Track motion using Wii remotes" #~ msgstr "Bideratu Wiimote-a erabiltzen" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "OpenGL testuinguru baliogabea.\n" #~ "Zure OpenGL-ko konfigurazioan dagoen edozer guztiz apurtuta dago (edozein " #~ "OpenGL-aplikaziorik ibili dezakezu?), edo programazio-akats (bug) bat " #~ "aurkitu duzu." #~ msgid "Debug Information" #~ msgstr "Arazketaren informazioa" #~ msgid "FPS: %L1" #~ msgstr "Fotogramak segundoko: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Ikusi Neurria: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "ModelView 1. ilara: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "ModelView 2. ilara: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "ModelView 3. ilara: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "ModelView 4. ilara: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Atomoak: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: %1 aurkibidea eskuerarik gabe geratu da." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "'%1' Artxibo mota ezin da irakurri" #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "'%1' Artxiboarentzako artxibo mota ezin da irakurri" #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "" #~ "%1-(e)ko aurkibideko molekula '%2' artxibotik irakurtzean huts egin du." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "replaceMolecule: %1 aurkibidea eskuerarik gabe geratu da." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "'%1' Artxibo mota ezin da idatzi" #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "'%1' Artxiboarentzako artxibo mota ezin da idatzi" #~ msgid "Could not open file '%1' for reading." #~ msgstr "Ezin da '%1' artxiboa ireki irakurtzeko." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "" #~ "%1 aurkibidea duen molekula '%2' artxiboan ordezkatzean huts egin du." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "%1 artxiboa ezin da ireki irakurtzeko." #~ msgid "File %1 can not be opened for writing." #~ msgstr "%1 artxiboa ezin da ireki idazteko." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Huts egin du artxibo molekularra gordetzean - ezin zaio izenik ipini " #~ "jatorrizko artxiboari." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Huts egin du artxibo molekularra gordetzean - ezin zaio izenik ipini " #~ "artxibo berriari." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Huts egin du artxibo molekularra gordetzean - ezin da ezabatu artxibo " #~ "zaharra." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Molekula bat '%1' artxibora idaztean huts egin du. OpenBabel funtzioa " #~ "huts egin du." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Ezin da %1 artxiboa ireki idazteko." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "'%1' artxiboan egokitzaileak idaztean huts egin du." #~ msgid "Molecule %1" #~ msgstr "%1 Molekula" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Python Engine Ezezaguna" #~ msgid "N/A" #~ msgstr "A/E" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: konprobatzen " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - script-a ez du 'Engine' klasea definituta" #~ msgid " - no module" #~ msgstr " - modulorik ez" #~ msgid "Unknown Python Extension" #~ msgstr "\"Python Extension\" Ezezaguna" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: konprobatzen " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - script-a ez du 'Extension' klasea definituta" #~ msgid "Unknown Python Tool" #~ msgstr "\"Python Tool\" Ezezaguna" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: konprobatzen " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - script-a ez du 'Tool' klasea definituta" #~ msgid "Conformer %1" #~ msgstr "%1 Egokitzailea" #~ msgid "Tools" #~ msgstr "Tresnak" #~ msgid "Align:" #~ msgstr "Lerrokatu:" #~ msgid "Everything" #~ msgstr "Guztia" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt.: ezin izan da indar-eremua konfiguratu..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Mugen Kopurua: %1" #~ msgid "Steps per Update:" #~ msgstr "Urratsak eguneraketako:" #~ msgid "Algorithm:" #~ msgstr "Algoritmoa:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Dinamika Molekularra (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dinamika Molekularra (900K)" #~ msgid "Start" #~ msgstr "Hasi" #~ msgid "Fixed atoms are movable" #~ msgstr "Finkatutako atomoak mugikorrak dira" #~ msgid "Ignored atoms are movable" #~ msgstr "Ezikusitako atomoak mugikorrak dira" #~ msgid "AutoOpt Molecule" #~ msgstr "AutoOpt molekula" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Geometria molekularra automatikoki optimizatzen du" #~ msgid "AutoOptimization Settings" #~ msgstr "AutoOptimizazioaren Ezarpenak" #~ msgid "Auto Rotation Tool" #~ msgstr "Auto-Biraketa Tresna" #~ msgid "x rotation:" #~ msgstr "x biraketa:" #~ msgid "x rotation" #~ msgstr "x biraketa" #~ msgid "y rotation:" #~ msgstr "y biraketa:" #~ msgid "y rotation" #~ msgstr "y biraketa" #~ msgid "z rotation:" #~ msgstr "z biraketa:" #~ msgid "z rotation" #~ msgstr "z biraketa" #~ msgid "Automatic rotation of molecules" #~ msgstr "Molekulak automatikoki biratzen ditu" #~ msgid "AutoRotate Settings" #~ msgstr "AutoBiratu Ezarpenak" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Loturaren Luzera: %L1" #~ msgid " Show Angles" #~ msgstr " Erakutsi angeluak" #~ msgid "Snap-to Threshold: " #~ msgstr "Atxikitu Atalaseari: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Loturetan Oinarrituta Manipulatu" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Loturen luzera, angelua eta tortsioen manipulaketa" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Loturetan Oinarrituta Manipulatzeko Ezarpenak" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distantzia (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distantzia (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Angelu Diedroa: %1º" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distantzia(k):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Loturaren luzera, angeluak eta diedroak neurtu" #~ msgid "Draw Bond" #~ msgstr "Marraztu Lotura" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Marraztu eta editatu atomoak eta loturak" #~ msgid "Draw Settings" #~ msgstr "Marrazketa Ezarpenak" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Mugitu, biratu eta doitu atomoak eta zatiak" #~ msgid "Manipulate Settings" #~ msgstr "Manipulaketa Ezarpenak" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Mugitu, biratu eta egin zoom ikusten den inguruan" #~ msgid "Navigate Settings" #~ msgstr "Nabigazio Ezarpenak" #~ msgid "Selection Mode:" #~ msgstr "Hautapen Modua:" #~ msgid "Atom/Bond" #~ msgstr "Atomo/Lotura" #~ msgid "Residue" #~ msgstr "Hondakina" #~ msgid "Add Center of Atoms" #~ msgstr "Atomoen Zentrua Gehitu" #~ msgid "Change color of the atom" #~ msgstr "Atomoaren kolorea aldatu" #~ msgid "Change label of the atom" #~ msgstr "Atomoaren marka aldatu" #~ msgid "Change label of the bond" #~ msgstr "Loturaren marka aldatu" #~ msgid "Change radius of the atom" #~ msgstr "Atomoaren erradioa aldatu" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Erradio Berria (Å), %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Hautatu atomoak, hondakinak eta molekulak" #~ msgid "Symbol" #~ msgstr "Sinboloa" #~ msgid "Bond Length" #~ msgstr "Loturaren Luzera" #~ msgid "Dihedral Angle" #~ msgstr "Angelu Diedroa" #~ msgid "Z Matrix Editor..." #~ msgstr "Z Matrizea Editatu..." #~ msgid "Z-Matrix" #~ msgstr "Z-Matrizea" #~ msgid "Create/edit a z-matrix" #~ msgstr "Sortu/Editatu z-matrize bat" #~ msgid "Z-Matrix Settings" #~ msgstr "Z-Matrizearen Ezarpenak" #~ msgid "Color residues by:" #~ msgstr "Hondakinen kolorea antolatu:" #~ msgid "Hydrophobicity" #~ msgstr "Hidrofobizitatea" #~ msgid "Axes:" #~ msgstr "Ardatzak:" #~ msgid "Cartesian Axes" #~ msgstr "Ardatz Kartesiarrak" #~ msgid "Orthogonal Axes" #~ msgstr "Ardatz Ortogonalak" #~ msgid "Axis 1:" #~ msgstr "1. Ardatza:" #~ msgid "Axis 2:" #~ msgstr "2. Ardatza:" #~ msgid "Axis 3:" #~ msgstr "3. Ardatza:" #~ msgid "Origin:" #~ msgstr "Jatorria:" #~ msgid "Norm" #~ msgstr "Araua" #~ msgid "Preserve vector norms" #~ msgstr "Bektorearen arauak mantendu" #~ msgid "Atom Radius:" #~ msgstr "Atomoaren Erradioa:" #~ msgid "Bond Radius:" #~ msgstr "Loturaren Erradioa:" #~ msgid "Shape" #~ msgstr "Forma" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Errepikatu" #~ msgid "Dipole:" #~ msgstr "Bipoloa:" #~ msgid "Custom Vector" #~ msgstr "Neurrira Egindako Bektorea" #~ msgid "Custom:" #~ msgstr "Neurrira Egindakoa:" #~ msgid "Cut-off radius:" #~ msgstr "Mozketa-Erradioa:" #~ msgid "Cut-off angle:" #~ msgstr "Mozketa-Angelua:" #~ msgid "Rendering Engine:" #~ msgstr "Errenderizazio Motorra:" #~ msgid "TextRenderer" #~ msgstr "TextRenderer" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Testua:" #~ msgid "Symbol & Number in Group" #~ msgstr "Sinboloa eta Zenbakia Taldekatu" #~ msgid "Symbol & Atom number" #~ msgstr "Sinboloa eta Atomoaren zenbakia" #~ msgid "Partial charge" #~ msgstr "Karga Partziala" #~ msgid "Residue number" #~ msgstr "Hondakinaren zenbakia" #~ msgid "Custom data" #~ msgstr "Neurrira egindako datuak" #~ msgid "Change Font" #~ msgstr "Aldatu Letra-Tipoa" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Marka Aldatu:" #~ msgid "Bond length" #~ msgstr "Loturaren luzera" #~ msgid "Bond number" #~ msgstr "Loturaren zenbakia" #~ msgid "Bond order" #~ msgstr "Loturaren ordena" #~ msgid "Lines" #~ msgstr "Lerroak" #~ msgid "Radius:" #~ msgstr "Erradioa:" #~ msgid "Include Nitrogens" #~ msgstr "Txertatu Nitrogenoak" #~ msgid "VdW Opacity:" #~ msgstr "VdW Opakotasuna:" #~ msgid "Orbital:" #~ msgstr "Orbitala:" #~ msgid "Render:" #~ msgstr "Errenderizatu:" #~ msgid "Fill" #~ msgstr "Bete" #~ msgid "Points" #~ msgstr "Puntuak" #~ msgid "Draw Box:" #~ msgstr "Marrazketa-Koadroa:" #~ msgid "Mapped Colors" #~ msgstr "Marraztutako Koloreak" #~ msgid "Positive" #~ msgstr "Positiboa" #~ msgid "Negative" #~ msgstr "Negatiboa" #~ msgid "Show Atoms" #~ msgstr "Erakutsi Atomoak" #~ msgid "Animate Trajectory" #~ msgstr "Ibilbidea Animatu" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Errepikatu" #~ msgid "Save as .avi..." #~ msgstr "Gorde .avi bezala" #~ msgid "Angstroms" #~ msgstr "Angstrom (Å)" #~ msgid "Bohrs" #~ msgstr "Bohr" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, koordenatuak bakarrik" #~ msgid "GAMESS Input #2" #~ msgstr "2. GAMESS Sarrera" #~ msgid "Priroda Input" #~ msgstr "Priroda Sarrera" #~ msgid "Apply Changes" #~ msgstr "Aldaketak Aplikatu" #~ msgid "Cut All" #~ msgstr "Moztu Guztia" #~ msgid "Paste to the End" #~ msgstr "Itsatsi Amaieran" #~ msgid "" #~ "\n" #~ "\n" #~ "

      Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

      " #~ msgstr "" #~ "\n" #~ "\n" #~ "

      Itsatsi edo editatu " #~ "koordenatu atomikoak hemen. Komenigarria da ia edozein testu zati " #~ "itsastea, koordenatuak barne

      " #~ msgid "(None)" #~ msgstr "(Ezer ez)" #~ msgid "Sort by " #~ msgstr "-(e)z Ordenatu " #~ msgid "Number of atoms:" #~ msgstr "Atomo kopurua:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Lotura biragarrien kopurua:" #~ msgid "Add Constraints" #~ msgstr "Mugak Gehitu" #~ msgid "Ignore Atom" #~ msgstr "Ez Hartu Atomo Hau Kontuan" #~ msgid "Fix Atom" #~ msgstr "Konpondu Atomoa" #~ msgid "Fix Atom X" #~ msgstr "Konpondo X Atomoa" #~ msgid "Fix Atom Y" #~ msgstr "Konpondu Y Atomoa" #~ msgid "Fix Atom Z" #~ msgstr "Konpondu Z Atomoa" #~ msgid "Torsion angle" #~ msgstr "Tortsio angelua" #~ msgid "Add" #~ msgstr "Gehitu" #~ msgid "Save" #~ msgstr "Gorde" #~ msgid "Load" #~ msgstr "Kargatu" #~ msgid "Atomic &identites:" #~ msgstr "&Identitate Atomikoak:" #~ msgid "Plane:" #~ msgstr "Planoa:" #~ msgid "&Miller Indices:" #~ msgstr "&Miller indizeak:" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Kontuz: Miller indizeak ezin dira huts izan" #~ msgid "Width (x)" #~ msgstr "Zabalera (x)" #~ msgid "Width (y)" #~ msgstr "Zabalera (y)" #~ msgid "Height (z)" #~ msgstr "Altuera (z)" #~ msgid "length" #~ msgstr "luzeera" #~ msgid "cell repeats" #~ msgstr "gelaxka errepikapenak" #~ msgid "&Translate " #~ msgstr "&Translatu " #~ msgid "by arbitrary vector" #~ msgstr "bektore arbitrarioz" #~ msgid "selected atom to unit cell center" #~ msgstr "atomotik gelaxka unitaterainoko zentrua aukeratua" #~ msgid "Translation vector:" #~ msgstr "Translazio bektorea:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "&Bektore unitateak:" #~ msgid "Cartesian" #~ msgstr "Kartesiarra" #~ msgid "&Translate" #~ msgstr "&Translatu" #~ msgid "Crystal View Options" #~ msgstr "Kristala Ikusteko Aukerak" #~ msgid "Unit Cell Repeats:" #~ msgstr "Gelaxka Unitatearen Errepikapenak:" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Gelaxka Unitatea(k) Marraztu?" #~ msgid "One" #~ msgstr "Bat" #~ msgid "All" #~ msgstr "Guztia" #~ msgid "Color..." #~ msgstr "Kolorea..." #~ msgid "Default View" #~ msgstr "Ikuspegi lehenetsia" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Miller Indizeak" #~ msgid "File Import..." #~ msgstr "Inportatu Artxiboa..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Saiatu loturak hautematen?" #~ msgid "Setup Force Field" #~ msgstr "Indar-Eremua Konfiguratu" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Urrats Kopurua" #~ msgid "Algorithm" #~ msgstr "Algoritmoa" #~ msgid "Alanine" #~ msgstr "Alanina" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Arginina" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Arparagina" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "Azido Aspartikoa" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Zisteina" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "Azido Glutamikoa" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Glutamina" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Glizina" #~ msgid "Gly" #~ msgstr "Gli" #~ msgid "Histidine" #~ msgstr "Histidina" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "Isoleuzina" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Valine" #~ msgstr "Balina" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyrosine" #~ msgstr "Tirosina" #~ msgid "Tyr" #~ msgstr "Tyr" #~ msgid "Tryptophan" #~ msgstr "Triptofanoa" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "Treonina" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "Serina" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Prolina" #~ msgid "Phenylalanine" #~ msgstr "Fenilalanina" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "Metionina" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Lisina" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "Leuzina" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "Sekuentzia (N-tik C-ra)" #~ msgid "Stereochemistry:" #~ msgstr "Estereokimika:" #~ msgid "L" #~ msgstr "L" #~ msgid "N Terminus:" #~ msgstr "N Terminala:" #~ msgid "C Terminus:" #~ msgstr "C Terminala" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Structure:" #~ msgstr "Egitura:" #~ msgid "Straight Chain" #~ msgstr "Kate Etengabea" #~ msgid "Alpha Helix" #~ msgstr "Alfa Helizea" #~ msgid "Beta Sheet" #~ msgstr "Beta Orria" #~ msgid "Pi Helix" #~ msgstr "Pi Helizea" #~ msgid "Phi:" #~ msgstr "Fi:" #~ msgid "Psi:" #~ msgstr "Psi:" #~ msgid "Chain Number:" #~ msgstr "Kate-Zenbakia:" #~ msgid "The chain number for the new peptide" #~ msgstr "Peptido berriaren kate-zenbakia" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Hondakin Kopurua:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energia (kJ/mol)" #~ msgid "Dipole Moment (D):" #~ msgstr "Momentu Bipolarra (D):" #~ msgid "select Fragment" #~ msgstr "Fragmentua aukeratu" #~ msgid "Basic" #~ msgstr "Oinarrizkoa" #~ msgid "Comment" #~ msgstr "Iruzkina" #~ msgid "Frequency" #~ msgstr "Maiztasuna" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Format" #~ msgstr "Formatua" #~ msgid "z-Matrix" #~ msgstr "z-Matrizea" #~ msgid "z-Matrix compact" #~ msgstr "z-Matrize konpaktua" #~ msgid "Advanced" #~ msgstr "Aurreratua" #~ msgid "Basis Set" #~ msgstr "Oinarri multzo" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "RijCosX" #~ msgstr "RijCosX" #~ msgid "Aux. Basis Set" #~ msgstr "Oinarri multzo Aux." #~ msgid "Aux. ECP" #~ msgstr "ECP Aux." #~ msgid "Relativistic" #~ msgstr "Errelatibista" #~ msgid "ZORA" #~ msgstr "ZORA" #~ msgid "IORA" #~ msgstr "IORA" #~ msgid "DKH" #~ msgstr "DKH" #~ msgid "Order" #~ msgstr "Ordena" #~ msgid "Run type" #~ msgstr "Abiaketa mota" #~ msgid "MOs" #~ msgstr "OMak" #~ msgid "Basis Sets" #~ msgstr "Oinarri multzo" #~ msgid "Printlevel" #~ msgstr "Inprimaketamaila" #~ msgid "Small" #~ msgstr "Txikia" #~ msgid "Large" #~ msgstr "Handia" #~ msgid "Factor" #~ msgstr "Faktorea" #~ msgid "" #~ "

      select only if no defaults are wanted

      " #~ msgstr "" #~ "

      aukeratu aurreezarpenak nahi ez izanez gero

      " #~ msgid "Accuracy" #~ msgstr "Zehaztasuna" #~ msgid "KDIIS" #~ msgstr "KDIIS" #~ msgid "2nd Order" #~ msgstr "2. Ordena" #~ msgid "SOSCF" #~ msgstr "SOSCF" #~ msgid "NRSCF" #~ msgstr "NRSCF" #~ msgid "AHSCF" #~ msgstr "AHSCF" #~ msgid "max. SCF iterations" #~ msgstr "SCF iterazio kopuru maximoa" #~ msgid "SCF Type" #~ msgstr "SCF Mota" #~ msgid "restricted" #~ msgstr "mugatua" #~ msgid "unrestricted" #~ msgstr "mugagabea" #~ msgid "restricted open-shell" #~ msgstr "geruza-ireki mugagabea" #~ msgid "Grid" #~ msgstr "Sarea" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray Esportazioa" #~ msgid "Select..." #~ msgstr "Hautatu..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Erabili eszena osoko antialiasing-a" #~ msgid "Antialias" #~ msgstr "Antialiasing-a" #~ msgid "Set the background color to be transparent" #~ msgstr "Atzeko planoaren kolorea gardena ezarri." #~ msgid "Alpha transparency" #~ msgstr "Alfa gardentasuna" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Molekula zuzenki errenderizatu POV-Ray lerro-komandua erabiltzen" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Mantendu POV-Ray iturria errenderizazioa amaitu ondoren" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Mantendu POV-Ray iturria errenderizatu ondoren" #~ msgid "Path:" #~ msgstr "Bidea:" #~ msgid "Abinit Input" #~ msgstr "Abinit-en input-a" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Kartesiar (Angstrom)" #~ msgid "Reduced" #~ msgstr "Murriztua" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Uhin Lauen mozketa erizpidea (Ha):" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "k-puntuen desplazamendua:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Banda kopurua:" #~ msgid "# k-point shifts:" #~ msgstr "#k-puntuen desplazamenduak:" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Okupazio eskema:" #~ msgid "SCF tolerance type:" #~ msgstr "SCF tolerantzia mota:" #~ msgid "Wave Function norm" #~ msgstr "Uhin Funtzio norma" #~ msgid "Total Potential" #~ msgstr "Potentzial Totala" #~ msgid "Relative Force" #~ msgstr "Indar Erlatiboa" #~ msgid "1 - semiconducting" #~ msgstr "1 - Erdieroalea" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "# Geometrical time steps:" #~ msgstr "# Geometriazko denbora pausoak:" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Energia Zinetikoaren leunketa (Ha):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Konputatzen..." #~ msgid "Dalton Input" #~ msgstr "Dalton Sarrera" #~ msgid "Basics" #~ msgstr "Oinarrizkoak" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Gehitzen du idatzitakoa input artxiboaren izenburu lerroa zeure\n" #~ "asmo berriemailetzat." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "Basis Set:" #~ msgstr "Oinarriak ezarri:" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Pople-estiloa" #~ msgid "Jensen's polarization consistent" #~ msgstr "Jensen-en polarizazio kontsekuentea" #~ msgid "Dunning's correlation consistent" #~ msgstr "Dunning-en korrelazio kontsekuentea" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Nukleoaren funtzio korrelatzaileak" #~ msgid "Diffuse functions" #~ msgstr "Hedatzeko funtzioak" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Zuzen" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Ibili paraleloan ahal den bakoitzean. Honako hau bakarrik\n" #~ "posiblea da SCF uhin-funtzio eta DFT kalkuluetarako. Dalton\n" #~ "bakarrik eusten du MPI bertsio honetan eta konpilatuta eta \n" #~ "instalatuta egon behar da. Nodo kopurua ezartzen da erabiltzen \"-N #\" " #~ "aukera \"dalton\" script-a exekutatzean." #~ msgid "Parallel" #~ msgstr "Paraleloa" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Sarearen espezifikazioa:" #~ msgid "Partitioning Scheme:" #~ msgstr "Eskema partizionala:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (originala)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Sarearen Kalitatea" #~ msgid "coarse" #~ msgstr "latza" #~ msgid "normal" #~ msgstr "arrunta" #~ msgid "fine" #~ msgstr "finoa" #~ msgid "ultrafine" #~ msgstr "ultrafinoa" #~ msgid "Radial Scheme:" #~ msgstr "Eskema Erradiala:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Erakutsi funtzional guztiak" #~ msgid "Property:" #~ msgstr "Propietatea:" #~ msgid "Polarizability" #~ msgstr "Polarizagarritasuna" #~ msgid "Frequency Dependent" #~ msgstr "Frekuentzia Dependientea" #~ msgid "No. excitations:" #~ msgstr "Eszitazio Kopurua:" #~ msgid "Group Label:" #~ msgstr "Taldearen Marka:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Konfigurazio Aurreratua" #~ msgid "Hessian" #~ msgstr "Hessiar" #~ msgid "Stat Point" #~ msgstr "Egoera Puntua" #~ msgid "System" #~ msgstr "Sistema" #~ msgid "MO Guess" #~ msgstr "OM Asmatu" #~ msgid "Misc" #~ msgstr "Miszelanea" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Atomo Pisudunaren Funtzio Polarizatzaileak:" #~ msgid "Read" #~ msgstr "Irakurri" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Hedatu S-Shell Atomo Pisudunetan" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Hedatu L-Shell Atomo Pisudunetan" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Balentzia Zeta Bikoitza" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Balentzia Zeta Hirukoitza" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA Balentzia" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt Balentzia" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP Mota:" #~ msgid "Default" #~ msgstr "Lehenetsia" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Atomo Pisudunaren Polarizazio Funtzioak:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#light Atomoaren Polarizazio Funtzioak:" #~ msgid "Polar:" #~ msgstr "Polarra:" #~ msgid "Max SCF Iterations:" #~ msgstr "Max SCF Iterazioak:" #~ msgid "Gradient" #~ msgstr "Gradientea" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "Zela-Puntua" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Kanpo-Gradientea" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Higidura-Kantitatearen Trantsizio Erradioaktiboa." #~ msgid "Spin Orbit" #~ msgstr "Orbita Biragarria" #~ msgid "Finite Electric Field" #~ msgstr "Zelai Elektriko Finitoa" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Optimizazio Orokorra" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO Optimizazioa" #~ msgid "Raman Intensities" #~ msgstr "Raman Intentsiatateak" #~ msgid "Make EFP" #~ msgstr "Egin EFP" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Ezer ez (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF Mota:" #~ msgid "Localization Method:" #~ msgstr "Aurkikuntza-Metodoa:" #~ msgid "Exec Type:" #~ msgstr "Exek. Mota:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinantea" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Okupazio Mugatua Espazio Aktibo Anitza" #~ msgid "CI Singles" #~ msgstr "CI Bakarrak" #~ msgid "Full Second Order CI" #~ msgstr "CI Bigarren Agindu Betea" #~ msgid "General CI" #~ msgstr "CI Orokorra" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: CC Lerrorizatua" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC Bikoitzekin" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC Bakar eta Bikoitzekin" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Ibili Normalki" #~ msgid "Check" #~ msgstr "Egiaztatu" #~ msgid "Debug" #~ msgstr "Arazketa" #~ msgid "Molecule Charge:" #~ msgstr "Karga Molekularra:" #~ msgid "Run Type:" #~ msgstr "Ibilera Mota:" #~ msgid "Use MP2" #~ msgstr "Erabili MP2" #~ msgid "Use DFT" #~ msgstr "Erabili DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# Z-Matrize Bariableetik" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Ardatz Printzipalen Ordena:" #~ msgid "Coordinate Type:" #~ msgstr "Koordenatu Mota:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Koordenatu kartesiar esklusiboa" #~ msgid "Hilderbrant internals" #~ msgstr "Barruko Hilderbrant" #~ msgid "MOPAC Z-Matrix" #~ msgstr "MOPAC Z-Matrizea" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Erabili Simetria Kalkulatzen den Bitartean" #~ msgid "Point Group:" #~ msgstr "Puntu Multzoa:" #~ msgid "Minutes" #~ msgstr "Minutuak" #~ msgid "Hours" #~ msgstr "Orduak" #~ msgid "Days" #~ msgstr "Egunak" #~ msgid "Weeks" #~ msgstr "Asteak" #~ msgid "Years" #~ msgstr "Urteak" #~ msgid "Millenia" #~ msgstr "Milla Urte" #~ msgid "MegaWords" #~ msgstr "MegaHitzak" #~ msgid "MegaBytes" #~ msgstr "MegaByte-ak" #~ msgid "GigaWords" #~ msgstr "GigaHitzak" #~ msgid "GigaBytes" #~ msgstr "GigaByte-ak" #~ msgid "Force Parallel Methods" #~ msgstr "Metodo Paraleloak Bortxatu" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "\"Nukleo\"-artxiboa eratu abortatzerakoan" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memoria:" #~ msgid "Diagonalization Method:" #~ msgstr "Diagonalizazio Metodoa:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Oreka Motaren Karga Paraleloa" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Errepikatu" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Hurrengo Balorea" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Erabili Kanpo-Datuak Mezuak Errepresentatzeko" #~ msgid "Initial Guess:" #~ msgstr "Hasierako Susmoa:" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "OM Irakurrita ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "OM Gordeta (DICTNRY)" #~ msgid "Skip" #~ msgstr "Jauzi Egin" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Biratu Alfa eta Beta Orbitalak" #~ msgid "Print the Initial Guess" #~ msgstr "Inprimatu Hasierako Susmoa" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "GAMESS Interfazea Beste Kodeentzat" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Bortxatu Egiaztatzeko Ibilera Mota Bat" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (Erresuma Batuko Bertsioa)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussian 9x" #~ msgid "Solvate with Water" #~ msgstr "Disolbatu Uretan" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Generatu UHF Orbital Naturalak" #~ msgid "Direct SCF" #~ msgstr "SCF Zuzena" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Bakarrik Konputatu Aldaketak Fock Matrizean" #~ msgid "Slater exchange" #~ msgstr "Slater aldaketa" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 aldaketa" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair (VWN5) korrelazioa" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr korrelazioa" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater aldaketa + VWN korrelazioa" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE aldaketa + VWN5 korrelazioa" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE aldaketa + LYP korrelazioa" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill 1996 aldaketa" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof (PBE) aldaketa" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: Parametro Aurrerakoi Bakarra korrelazioa" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr (LYP) korrelazioa" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP korrelazioa" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE aldaketa + OP korrelazioa" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL aldaketa + VWN5 korrelazioa" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL aldaketa + LYP korrelazioa" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE aldaketa + VWN6 korrelazioa" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE aldaketa +LYP korrelazioa" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE aldaketa + OP korrelazioa" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF eta BECKE aldaketak + LYP korrelazioa" #~ msgid "Grid-Free" #~ msgstr "Sarerik Gabe" #~ msgid "DFT Functional:" #~ msgstr "DFT Funtzionala" #~ msgid "AO Integral Storage" #~ msgstr "AO Biltegi-Osagaia" #~ msgid "Duplicated on Each Node" #~ msgstr "Nodo Bakoitzean Bikoiztuta" #~ msgid "Distributed Across All Nodes" #~ msgstr "Banatuta Nodo Guztien Artean" #~ msgid "words" #~ msgstr "hitzak" #~ msgid "Compute MP2 Properties" #~ msgstr "Konputatu MP2 Ezaugarriak" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Barne-Atxikitzea Moztuta:" #~ msgid "Use Localized Orbitals" #~ msgstr "Erabili Zehaztutako Orbitalak" #~ msgid "# of Core Electrons:" #~ msgstr "# Nukleo-Elektroietatik" #~ msgid "Transformation Method" #~ msgstr "Transformazio Metodoa" #~ msgid "Two Phase Bin Sort" #~ msgstr "Bi Fase Binario Mota" #~ msgid "Segmented Transformation" #~ msgstr "Transformazio Zatikatua" #~ msgid "Numeric" #~ msgstr "Zenbakizkoa" #~ msgid "Double Differenced Hessian" #~ msgstr "Hessiar Bikoitza Ezberdinduta" #~ msgid "Print Internal Force Constants" #~ msgstr "Inprimatu Barne-Indar Konstanteak" #~ msgid "Displacement Size:" #~ msgstr "Higidura Tamaina:" #~ msgid "Purify Hessian" #~ msgstr "Purifikatu Hesiarra" #~ msgid "Frequency Scale Factor:" #~ msgstr "Faktore Eskalaren Maiztasuna:" #~ msgid "bohrs" #~ msgstr "bohr-ak" #~ msgid "Initial Hessian" #~ msgstr "Hasierako Hessiarra" #~ msgid "Guess (+ define)" #~ msgstr "Asmatu (+ definitu)" #~ msgid "Read (from $HESS)" #~ msgstr "Irakurri ($HESS-(e)tik)" #~ msgid "Update Step Size" #~ msgstr "Eguneratu Pausuen Tamaina" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Inprimatu Orbeak Itinerazio Bakoitzean" #~ msgid "Stationary Point" #~ msgstr "Puntu Geldia" #~ msgid "Initial:" #~ msgstr "Hasierakoa:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Funtzio Arrazionalaren Optimizazioa" #~ msgid "Quadratic Approximation" #~ msgstr "Hurbilketa Kuadratikoa" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Optimizazio Mugatua" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Birkalkulatu Hessiar Guztiak:" #~ msgid "Follow Mode:" #~ msgstr "Jarraitzeko Modua:" #~ msgid "GAMESS-UK Input" #~ msgstr "GAMESS-UK-ren Input-a" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "GAMESS-UK-ren input-a, Avogadrok sortua" #~ msgid "Transition State Search" #~ msgstr "Trantsizio Egoera Bilaketa" #~ msgid "Basis:" #~ msgstr "Oinarrizkoak:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Z-Matrizea" #~ msgid "Gaussian Input" #~ msgstr "Gaussian Sarrera" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Estandar" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Jarraipen Puntua:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-Matrizea (konpaktua)" #~ msgid "MOLPRO Input" #~ msgstr "MOLPRO Sarrera" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Molpro Bersioa:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "MOPAC Sarrera" #~ msgid "Quartet" #~ msgstr "Laukote" #~ msgid "Quintet" #~ msgstr "Boskote" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "NWChem-entzako Input-a" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem-entzako Input-a" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "TeraChem-entzako Input-a" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Mugagabea" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "ez" #~ msgid "yes" #~ msgstr "Bai" #~ msgid "D2" #~ msgstr "D2" #~ msgid "D3" #~ msgstr "D3" #~ msgid "Dispersion:" #~ msgstr "Dispertsioa:" #~ msgid "Load Shaders" #~ msgstr "Kargatu Iluntzaileak" #~ msgid "Shader Name:" #~ msgstr "Iluntzailearen Izena:" #~ msgid "Vertex Shader:" #~ msgstr "Erpin-Iluntzailea:" #~ msgid "Fragment Shader:" #~ msgstr "Zati-Iluntzailea:" #~ msgid "Assign Shader" #~ msgstr "Iluntzailea Izendatu" #~ msgid "Display Type:" #~ msgstr "Erakutsi Mota:" #~ msgid "Font:" #~ msgstr "Letra-Tipoa:" #~ msgid "Change Font..." #~ msgstr "Aldatu Letra-Tipoa..." #~ msgid "Foreground:" #~ msgstr "Aurreko planoa:" #~ msgid "New..." #~ msgstr "Berria..." #~ msgid "Rename..." #~ msgstr "Izena Aldatu..." #~ msgid "&Schemes:" #~ msgstr "&Eskemak:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Zabalera:" #~ msgid "&Height" #~ msgstr "&Altuera" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "hazb" #~ msgid "px" #~ msgstr "px" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Eskemaz espezifikatutako balore bat erabili ordez erabili balore " #~ "optimizatu bat letra-tipoaren tamainarentzat (pantailatik-irudirako " #~ "puntuen tamaina ez dira ondo irakurtzen!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Letra-Tipo A&utomatikoa Ezarri" #~ msgid "Spectra Tab" #~ msgstr "Espektruaren Tabuladorea" #~ msgid "&Gaussian Width:" #~ msgstr "&Zabalera Gaussiarra" #~ msgid "&Label peaks" #~ msgstr "&Marka Gailurrak" #~ msgid "Rotatory Strength type:" #~ msgstr "Indar Birakari Mota:" #~ msgid "Energy units:" #~ msgstr "Energia-unitateak:" #~ msgid "Density units" #~ msgstr "Dentsitate-unitateak" #~ msgid "Fermi Energy: " #~ msgstr "Fermi-energia: " #~ msgid "States / Cell" #~ msgstr "Estautak / Gelatxoa" #~ msgid "States / Atom" #~ msgstr "Estatuak / Atomo" #~ msgid "States / Valence electron" #~ msgstr "Estatuak / Balentzia-elektroi" #~ msgid "Fermi energy at zero" #~ msgstr "Fermi-energiari zero ezarri" #~ msgid "Scale integrated DOS" #~ msgstr "Eskalatu DOS integratua" #~ msgid "Show integrated DOS" #~ msgstr "Erakutsi DOS integratua" #~ msgid "&Y Axis Units:" #~ msgstr "&Y Ardatzaren Unitateak:" #~ msgid "Scaling Type:" #~ msgstr "Eskalaketa Mota:" #~ msgid "Relative" #~ msgstr "Erlatiboa" #~ msgid "Laser Wavenumber:" #~ msgstr "Laser Uhin-Zenbakia:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "Nucleus:" #~ msgstr "Nukleoa:" #~ msgid "Gaussian &Width:" #~ msgstr "Zabalera &Gaussiarra" #~ msgid "Reset &Plot Axes" #~ msgstr "Hasieratu &Plot-Ardatzak" #~ msgid "Label Peaks:" #~ msgstr "Gailur-Markak:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Bibrazio Molekularrak" #~ msgid "Filter: " #~ msgstr "Iragazkia: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Jarduera (A^4/mau)" #~ msgid "&Show Spectra..." #~ msgstr "&Erakutsi Espektrua..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "maiztazun handiko bibrazioak ezarriko dute mugimendu azkarragoa" #~ msgid "Animation speed set by frequency" #~ msgstr "Animazioaren abiadura maiztasunez ezarri" #~ msgid "Display force &vectors" #~ msgstr "Erakutsi indar-&bektoreak" #~ msgid "&Normalize displacements" #~ msgstr "&Normaldu higidurak" #~ msgid "&Recalculate All" #~ msgstr "&Birkalkulatu Guztia" #~ msgid "Default &Quality:" #~ msgstr "Hasierako &Kalitatea" #~ msgid "Show occupied orbitals first" #~ msgstr "Erakutsi okupatutako orbitalak lehenik" #~ msgid "Limit orbital precalculations to " #~ msgstr "Orbital aurrekalkulaketa honetara mugatu " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "HOMO/LUMO inguruko orbitalak" #~ msgid "Surface Type:" #~ msgstr "Azalera Mota:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Baxua" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Ertaina" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Altua" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Oso Altua" #~ msgid "Isosurface cutoff value" #~ msgstr "Isoazaleraren mozketa balioa" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Erakusketa Motan:" #~ msgid "New Display" #~ msgstr "Erakusketa Berria" #~ msgid "Advanced..." #~ msgstr "Aurreratua..." #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "&Luzeera" #~ msgid "Uni&t:" #~ msgstr "Uni&tatea" #~ msgid "periodic units" #~ msgstr "unitate periodikoak" #~ msgid "angstrom" #~ msgstr "angstrom" #~ msgid "bohr radii" #~ msgstr "bohr eradioak" #~ msgid "nanometers" #~ msgstr "nanometroak" #~ msgid "Find &double bonds" #~ msgstr "Lotura &bikoitzak bilatu" #~ msgid "Molecular Symmetry" #~ msgstr "Simetria molekularra" #~ msgid "Scale (mm/Å):" #~ msgstr "Eskala (mm/Å):" #~ msgid "Smallest sphere (mm): " #~ msgstr "Esferarik txikiena (mm): " #~ msgid "Calculate Size..." #~ msgstr "Tamaina kalkulatu..." #~ msgid "Display visual cues" #~ msgstr "Erakutsi ikuste-seinaleak" #~ msgid "Python Settings" #~ msgstr "Python Ezarpenak" #~ msgid "Z Matrix Editor" #~ msgstr "Z Matrize Editorea" avogadrolibs-1.100.0/i18n/fa.po000066400000000000000000007044611474375334400160640ustar00rootroot00000000000000# Translations for the Avogadro molecular builder. # Copyright (C) 2006-2020 The Avogadro Project # This file is distributed under the same license as the Avogadro package. # FIRST AUTHOR , YEAR. # msgid "" msgstr "" "Project-Id-Version: Avogadro 1.93.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: YEAR-MO-DA HO:MI+ZONE\n" "Last-Translator: Automatically generated\n" "Language-Team: none\n" "Language: fa\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n > 1;\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" avogadrolibs-1.100.0/i18n/fi.po000066400000000000000000007477341474375334400161060ustar00rootroot00000000000000# Finnish translation for avogadro # Copyright (c) 2009 Rosetta Contributors and Canonical Ltd 2009 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2009. # Eisuke Kawashima , 2024, 2025. # Ricky Tigg , 2024, 2025. # Weblate Translation Memory , 2024. # LibreTranslate , 2024. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-16 14:00+0000\n" "Last-Translator: Ricky Tigg \n" "Language-Team: Finnish \n" "Language: fi\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Batch Job #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Ei määritettyä viestiä." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "Ei-merkkijono varoitus palautettu." #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "'warnings' -jäsen ei ole matriisi." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Viitetiedostoa '%1' ei ole olemassa." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "Virhe täytettäessä tiedostoa %1: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Tiedosto '%1' huonosti muotoiltu. Puuttuvat merkkijonon \"contents\" tai " "\"filePath\" jäsenet." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Väärin muotoiltu tiedosto: tiedoston nimi/sisältö puuttuu tai ei " "merkkijonoja:\n" "%1" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Väärin muotoiltu tiedostomerkintä indeksissä %1: Ei objekti." #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "\"files\" -jäsen ei ole matriisi." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "\"files\" -jäsen puuttuu." #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "'mainFile' -jäsenen on oltava merkkijono." #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "Vastauksen on oltava ylätason JSON-objekti." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Komentosarjan tuloste:\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Virhe tallennettaessa molekyyliesitystä merkkijonoon: Tuntematon " "tiedostomuoto: %1" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Virhe tallennettaessa molekyyliesitystä merkkijonoon: %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Virhe luotaessa cjson-objektia: Jäsennysvirhe siirtymässä %1: %2\n" "Raaka JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Virhegeneraattorin cjson-objekti: Jäsennetty JSON ei ole objekti:\n" "%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "Syöttögeneraattori (virhe)" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "%1 Syöttögeneraattori" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Jatka" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Sulje" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Tuntematon" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "Seuraavaa tiedostoa on muokattu:\n" "\n" "%1\n" "\n" "Haluatko korvata muutokset vastaamaan uutta geometriaa tai työvaihtoehtoja?" msgstr[1] "" "Seuraavia tiedostoja on muokattu:\n" "\n" "%1\n" "\n" "Haluatko korvata muutokset vastaamaan uutta geometriaa tai työvaihtoehtoja?" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Korvataanko muokatut syöttötiedostot?" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "Ongelmia tapahtui syötteen luomisen aikana:" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "Ei tallennettavia syöttötiedostoja!" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "Lähetä %1:n laskelma" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "Työ epäonnistui" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "Työtä ei saatu päätökseen onnistuneesti." #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "Komentosarja palauttaa varoituksia:\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "Piilota &varoitukset" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "Näytä &varoitukset" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "Virhe on tapahtunut:" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "Valitse tulosteen tiedostonimi" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "Sisäinen virhe: ei löytynyt teksti-vekotinta tiedostonimelle '%1'" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Tulosteen virhe" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Tiedostoon %1 kirjoittaminen epäonnistui." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Valitse lähtöhakemisto" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Hakemistoa ei ole olemassa!" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Hakemistoa ei voi lukea!" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: Tiedosto korvataan." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: Tiedosto ei ole kirjoituskelpoinen." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "Syöttötiedostoihin ei voida kirjoittaa tuntemattoman virheen takia." #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Syöttötiedostoihin ei voida kirjoittaa:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Syöttötiedostoihin ei voida kirjoittaa:\n" "\n" "%1\n" "\n" "Varoitukset:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Varoitus:\n" "\n" "%1\n" "\n" "Haluatko jatkaa?" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Kirjoita syöttötiedostot" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "Määritä työ" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Lähetetään työtä MoleQueuelle…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Työn lähetyksen aikakatkaisu" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro aikakatkaistiin odottaessaan vastausta MoleQueuelta." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Odotetaan työn %1 “%2” valmistumista…" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "Lopeta odottaminen" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "Haetaan suoritetun työn tietoja…" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "Työnhaun aikakatkaisu" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro aikakatkaistiin odottaessaan valmiita työtietoja MoleQueuelta." #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "Virhe lähetettäessä työtä" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "MoleQueue on hylännyt työn: %1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Ei valittua ohjelmaa." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Vety" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Litium" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Beryllium" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Boori" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Hiili" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Typpi" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Happi" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluori" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Natrium" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnesium" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Alumiini" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Pii" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fosfori" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Rikki" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Kloori" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Kalium" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Kalsium" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Skandium" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titaani" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadiini" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Kromi" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Mangaani" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Rauta" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Koboltti" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nikkeli" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Kupari" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Sinkki" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arseeni" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Seleeni" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Bromi" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Yttrium" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirkonium" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niobium" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molybdeeni" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Teknetium" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Rutenium" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rodium" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Hopea" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Kadmium" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Tina" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimoni" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Telluuri" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Jodi" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Ksenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantaani" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cerium" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodyymi" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodyymi" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Prometium" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Tulium" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantaali" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Volframi" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Renium" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platina" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Kulta" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Elohopea" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Tallium" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Lyijy" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Vismutti" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astatiini" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Frankium" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Aktinium" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Torium" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protaktinium" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uraani" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Amerikium" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Kalifornium" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Röntgenium" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Kopernikium" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moskovium" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tennessiini" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:23 #, fuzzy msgid "Browse" msgstr "Selaa" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Kaikki tiedostot" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 #, fuzzy msgid "Theory" msgstr "Teoria" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 #, fuzzy msgid "[no molecule]" msgstr "[ei molekyyli]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Pallo ja tikku" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipolimomentti" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Voima" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 #, fuzzy msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Jaksollinen järjestelmä" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 #, fuzzy msgid "Remove Layer" msgstr "Poista kerros" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Lisää atomi" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Säädä vetyjä" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Vaihda alkuaine" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Vaihda alkuaine" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Lisää sidos" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 #, fuzzy msgid "Clear Bonds" msgstr "Poista sidos" #: qtgui/rwmolecule.cpp:335 #, fuzzy msgid "Set Bond Orders" msgstr "Sidoskertaluku" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Vaihda sidosten järjestystä" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Täytä yksikkökoppi" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Tiedosto" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Alkuaine:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Kohdista" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Akseli:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, fuzzy msgid "IO Error" msgstr "Virhe" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Virhe" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "Alkuaine" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy #| msgid "Partial Charge" msgid "By Partial Charge…" msgstr "Osittaisvaraus" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Näytä" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 #, fuzzy msgid "Bond scale" msgstr "Sidoksen pituus" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "Sidos" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 #, fuzzy #| msgid "Other..." msgid "Other…" msgstr "Muu…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Alkuaineen nimi." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Kemiallinen merkki." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Järjestysluku." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 #, fuzzy msgid "Geometry Optimization" msgstr "Geometrinen optimisaatio" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Piirrä" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Piirrä atomi" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Etäisyys:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Yksinkertainen sidos" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Kaksoissidos" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Kolmoissidos" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy #| msgid "Fix Selected Atoms" msgid "Freeze Selected Atoms" msgstr "Kiinnitä valitut atomit paikoilleen" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate Energy" msgid "&Calculate" msgstr "Laske" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "Satulapiste" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Tasapainotilan geometria" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Taajuudet" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Kaasu" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Vesi" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Kationi" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neutraali" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anioni" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Säädä vetyjä" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Lisää vetyjä" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Poista vetyjä" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "Vety" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "Molekyyli…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 #, fuzzy msgid "Color:" msgstr "Väri:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "Kuvaajia ei löytynyt!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipuloi" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Mittaa" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "Kulma:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 #, fuzzy msgid "unknown molecule" msgstr "tuntematon molekyyli" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 #, fuzzy msgid "&Analysis" msgstr "&Analyyttinen" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Ominaisuudet" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 #, fuzzy msgid "Molecule Properties" msgstr "Molekyylin Ominaisuudet" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 #, fuzzy #| msgid "°" msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 #, fuzzy msgid "Configure Force Field…" msgstr "Aseta voimakenttä…" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "Poista vetyjä" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Lisää vetyjä (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Poista vetyjä (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Pysäytä" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "videotiedostot (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 #, fuzzy msgid "Save File" msgstr "Tallenna tiedosto" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Valenssi" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "Väri" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Atomi" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Näytä atomit" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Sidoskertaluku" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Atomi 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Atomi 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Kulma (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Atomi 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Atomi 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy msgid "Atom Properties…" msgstr "Atomiominaisuudet…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Sidosominaisuudet…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy msgid "Torsion Properties…" msgstr "Kiertokulmaominaisuudet…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Ominaisuudet" #: qtplugins/propertytables/propertyview.cpp:44 #, fuzzy msgid "Atom Properties" msgstr "Atomiominaisuudet" #: qtplugins/propertytables/propertyview.cpp:47 #, fuzzy msgid "Bond Properties" msgstr "Sidosominaisuudet" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:53 #, fuzzy msgid "Torsion Properties" msgstr "Kiertokulmaominaisuudet" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "Palauta oletusarvot" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Valitse" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 #, fuzzy #| msgid "Fix Selected Atoms" msgid "Select Atom" msgstr "Valitse atomi" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "Valitse" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Valinta" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Täytä yksikkökoppi…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 #, fuzzy #| msgid "Energy" msgid "Energy (eV)" msgstr "Energia (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Elektronitiheys" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Create Surfaces..." msgid "Create Surfaces…" msgstr "Luo pintoja…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 #, fuzzy msgid "Calculating electron density" msgstr "Lasketaan elektronitiheyttä" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Pinnat" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, fuzzy, qt-format msgid "Group %1" msgstr "Ryhmän %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Voimakenttä:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial Charge" msgid "Partial Charges" msgstr "Osittaisvaraus" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Oletusasetukset" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Tallenna tiedosto…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Menetelmä:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Sidoskertaluku:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Varaus:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nimi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A:" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C:" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "A:" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "B:" msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other..." msgid "Other" msgstr "Muu" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Yksinkertainen sidos" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Kaksoissidos" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) #, fuzzy #| msgid "Origin:" msgid "Origin" msgstr "Origo" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Menetelmä" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Voimakenttä:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Width:" msgid "Peak Width:" msgstr "Leveys:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Calculate Energy" msgid "Calculated Spectra:" msgstr "Laskettu spektri:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy #| msgid "10e-" msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Sulje" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Väri:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resoluutio:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " (" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) #, fuzzy msgid "Calculate" msgstr "Laske" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekyyli" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) #, fuzzy msgid "Coordination:" msgstr "Koordinaatio:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Ryhmät" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Ryhmä:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Ulla, ,Launchpad Contributions:,Geoff Hutchison," "Ulla, ,Launchpad Contributions:,Avogadro Team, ,Launchpad Contributions:," "Avogadro Team,Geoff Hutchison, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison, ," "Launchpad Contributions:,Avogadro Team,Geoff Hutchison, ,Launchpad " "Contributions:,Avogadro Team,Geoff Hutchison, ,Launchpad Contributions:," "Avogadro Team,Geoff Hutchison, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison, ," "Launchpad Contributions:,Avogadro Team,Geoff Hutchison,Lasse Liehu, ," "Launchpad Contributions:,Avogadro Team,Geoff Hutchison,Lasse Liehu, ," "Launchpad Contributions:,Avogadro Team,Geoff Hutchison,Lasse Liehu" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,,,,,,avogadro-devel@lists.sourceforge.net,,,avogadro-devel@lists." "sourceforge.net,,,,avogadro-devel@lists.sourceforge.net,,,,avogadro-" "devel@lists.sourceforge.net,,,,avogadro-devel@lists.sourceforge.net,,,," "avogadro-devel@lists.sourceforge.net,,,,avogadro-devel@lists.sourceforge." "net,,,,avogadro-devel@lists.sourceforge.net,,,,avogadro-devel@lists." "sourceforge.net,,,,avogadro-devel@lists.sourceforge.net,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,avogadro-devel@lists.sourceforge.net,," #, fuzzy #~| msgid "Partial Charge" #~ msgid "Partial Charge" #~ msgstr "Osittaisvaraus" #, fuzzy #~| msgid "Animation..." #~ msgid "Animation Tool" #~ msgstr "Animaatio" #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals -pallot" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Täytä yksikkökoppi" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Järjestysluku" #, fuzzy #~ msgid "By Distance" #~ msgstr "Etäisyys" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Järjestysluku" #, fuzzy #~| msgid "Molecule Charge:" #~ msgid "Molecule Name:" #~ msgstr "Molekyylin varaus:" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "Optimisaatio" #, fuzzy #~| msgid "Other..." #~ msgid "Other..." #~ msgstr "Muu..." #, fuzzy #~ msgid "Filename" #~ msgstr "Tiedoston nimi:" #~ msgid "Cancel" #~ msgstr "Peruuta" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Alkuaineen nimi" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molekyyli" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Molekyyli" #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Lisää vetyjä" #, fuzzy #~ msgid "Atom Properties..." #~ msgstr "Atomiominaisuudet..." #, fuzzy #~ msgid "Bond Properties..." #~ msgstr "Sidosominaisuudet..." #, fuzzy #~ msgid "Angle Properties..." #~ msgstr "Ominaisuudet" #, fuzzy #~ msgid "Torsion Properties..." #~ msgstr "Kiertokulmaominaisuudet..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Sidosominaisuudet..." #~ msgid "Theory:" #~ msgstr "Teoria:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Etäisyys" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Kulma" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Kiertokulma" #, fuzzy #~ msgid "Yes" #~ msgstr "Vuotta" #, fuzzy #~ msgid "No" #~ msgstr "Neon" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometrian optimisointi" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Lisää vetyjä" #, fuzzy #~ msgid "Stopped" #~ msgstr "Pysäytä" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Pinnat" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Väri alkuaineen mukaan (hiili = harmaa, happi = punainen, ...)" #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoktium" #~ msgid "Axes" #~ msgstr "Akselit" #~ msgid "Hydrogen Bond" #~ msgstr "Vetysidos" #~ msgid "Renders hydrogen bonds" #~ msgstr "Renderöi vetysidokset" #~ msgid "Polygon" #~ msgstr "Monikulmio" #~ msgid "Stick" #~ msgstr "Tikku" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Kierrettävien sidosten määrä: %1" #~ msgid "Add constraint" #~ msgstr "Lisää rajoite" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Molekyylisi täytyy koostua ainakin yhdestä atomista, jotta voit lisätä " #~ "rajoitteen" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Molekyylisi täytyy koostua ainakin kahdesta atomista, jotta voit lisätä " #~ "sidosrajoitteen" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Molekyylisi täytyy koostua ainakin kolmesta atomista, jotta voit lisätä " #~ "kulmarajoitteen" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Molekyylisi täytyy koostua ainakin neljästä atomista, jotta voit lisätä " #~ "kiertokulmarajoitteen" #~ msgid "Undefined" #~ msgstr "Määrittelemätön" #~ msgid "Constraints..." #~ msgstr "Rajoitteet..." #~ msgid "&Vector Graphics..." #~ msgstr "&Vektorigrafiikka" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "H to Methyl" #~ msgstr "H metyyliin" #~ msgid "Show Preview" #~ msgstr "Näytä esikatselu" #~ msgid "Hide Preview" #~ msgstr "Piilota esikatselu" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Tallenna POV-Ray-renderöity kuva" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Kuvatiedostot (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Valintasi on olla käyttämättä suoraa POV-Ray-renderöintiä etkä halua " #~ "säilyttää POV-Ray-tiedostoa. Tällöin tulosta ei tulla tallettamaan. " #~ "Oletko varma että haluat toimia näin?" #~ msgid "Python Terminal" #~ msgstr "Python-terminaali" #~ msgid ")" #~ msgstr ")" #~ msgid "Name cannot be empty." #~ msgstr "Nimi ei voi olla tyhjä." #~ msgid "There is already a selection with this name." #~ msgstr "Tämän niminen valinta on jo olemassa." #~ msgid "Orbitals" #~ msgstr "Orbitaalit" #~ msgid "Set Aspect Ratio" #~ msgstr "Aseta kuvasuhde" #~ msgid "Tools" #~ msgstr "Työkalut" #~ msgid "Align:" #~ msgstr "Kohdista:" #~ msgid "Everything" #~ msgstr "Kaikki" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Ei voitu asettaa voimakenttää..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Algorithm:" #~ msgstr "Algoritmi:" #~ msgid "Start" #~ msgstr "Käynnistä" #~ msgid "Fixed atoms are movable" #~ msgstr "Kiinnitetyt atomit voivat liikkua" #~ msgid "Ignored atoms are movable" #~ msgstr "Huomiotta jätetyt atomit voivat liikkua" #~ msgid "Auto Rotation Tool" #~ msgstr "Automaattinen kiertotyökalu" #~ msgid "x rotation:" #~ msgstr "x-akselin kiertymä:" #~ msgid "x rotation" #~ msgstr "x-akselin kiertymä" #~ msgid "y rotation:" #~ msgstr "y-akselin kiertymä:" #~ msgid "y rotation" #~ msgstr "y-akselin kiertymä" #~ msgid "z rotation:" #~ msgstr "z-akselin kiertymä:" #~ msgid "z rotation" #~ msgstr "z-akselin kiertymä" #~ msgid "Distance(s):" #~ msgstr "Etäisyydet:" #~ msgid "Draw Bond" #~ msgstr "Piirrä sidos" #~ msgid "Atom/Bond" #~ msgstr "Atomi/Sidos" #~ msgid "Z-Matrix" #~ msgstr "Z-matriisi" #~ msgid "Bond Radius:" #~ msgstr "Sidoksen säde:" #~ msgid "Dipole:" #~ msgstr "Dipoli:" #~ msgid "Bond order" #~ msgstr "Sidoskertaluku" #~ msgid "Radius:" #~ msgstr "Säde:" #~ msgid "Include Nitrogens" #~ msgstr "Sisällytä typet" #~ msgid "Orbital:" #~ msgstr "Orbitaali:" #~ msgid "Positive" #~ msgstr "Positiivinen" #~ msgid "Negative" #~ msgstr "Negatiivinen" #~ msgid "0/0" #~ msgstr "0/0" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "Number of rotatable bonds:" #~ msgstr "Kierrettävien sidosten määrä:" #~ msgid "Ignore Atom" #~ msgstr "Jätä atomi huomiotta" #~ msgid "Fix Atom" #~ msgstr "Kiinnitä atomi paikoilleen" #~ msgid "Fix Atom X" #~ msgstr "Kiinnitä atomi X" #~ msgid "Fix Atom Y" #~ msgstr "Kiinnitä atomi Y" #~ msgid "Fix Atom Z" #~ msgstr "Kiinnitä atomi Z" #~ msgid "Add" #~ msgstr "Lisää" #~ msgid "All" #~ msgstr "Kaikki" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Algorithm" #~ msgstr "Algoritmi" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "povray" #~ msgstr "povray" #~ msgid "Set the background color to be transparent" #~ msgstr "Aseta taustaväri läpinäkyväksi" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "Default" #~ msgstr "Oletusarvo" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO-optimisaatio" #~ msgid "Raman Intensities" #~ msgstr "Raman-intensiteetit" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Normaali ajo" #~ msgid "Debug" #~ msgstr "Virheenjäljitys" #~ msgid "# of Z-Matrix Variables" #~ msgstr "Z-matriisin muuttujien määrä" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Käytä symmetriaa laskemisen aikana" #~ msgid "Minutes" #~ msgstr "Minuuttia" #~ msgid "Hours" #~ msgstr "Tuntia" #~ msgid "Days" #~ msgstr "Päivää" #~ msgid "Weeks" #~ msgstr "Viikkoa" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "Diagonalization Method:" #~ msgstr "Diagonalisointimenetelmä:" #~ msgid "Print the Initial Guess" #~ msgstr "Tulosta alkuarvaus" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "Solvate with Water" #~ msgstr "Liuota veteen" #~ msgid "# of Core Electrons:" #~ msgstr "Sisäelektronien määrä" #~ msgid "Numeric" #~ msgstr "Numeerinen" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Rationaalifunktio-optimisaatio" #~ msgid "Z-matrix" #~ msgstr "Z-matriisi" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Tavallinen" avogadrolibs-1.100.0/i18n/fr.po000066400000000000000000013766131474375334400161120ustar00rootroot00000000000000# Éfrit , 2020. # Boris Faure , 2020. # Maxime Leroy , 2021, 2022. # Pa , 2021. # Translator , 2022, 2023. # Norwid Behrnd , 2023, 2024. # research11111 , 2023. # LibreTranslate , 2024. # Weblate Translation Memory , 2024. msgid "" msgstr "" "Project-Id-Version: PACKAGE VERSION\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2024-12-20 20:35+0000\n" "Last-Translator: Norwid Behrnd \n" "Language-Team: French \n" "Language: fr\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n > 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Travail par lots #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Aucun message spécifié." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "La sortie du script --print-options doit être un objet JSON à la racine. " "Reçu :\n" "%1" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "Avertissement de non-chaîne de caractères renvoyé." #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "Le membre \"warnings\" n'est pas un tableau." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Le fichier de référence '%1' n'existe pas." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "Erreur de remplissage du fichier %1 : %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Le fichier '%1' est mal structuré. Il manque les membres 'contents' ou " "'filePath'." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Le fichier d'entrée est mal structuré : le nom du fichier ou le contenu sont " "manquants ou ne sont pas une des chaînes des caractères :\n" "%1" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Le fichier à la position %1 est mal structuré : Ce n'est pas un objet." #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "Le membre 'files' n'est pas un tableau." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "Le membre 'files\" est manquant." #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "Le membre 'mainFile' ne fait pas référence à une entrée dans 'files'." #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "Le membre 'mainFile' doit être une chaîne de caractères." #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "La réponse doit être un objet JSON à la racine." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Sortie du script :\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Erreur d'interprétation à l'emplacement %L1 : '%2'\n" "JSON brut :\n" "\n" "%3" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Erreur à l'écriture de la représentation en chaîne de caractères : Fichier " "au format %1 non reconnu" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" "Erreur à l'écriture de la représentation de la molécule en chaîne de " "caractère : %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Erreur en générant l'objet cjson : l'interprétation à échouée à la position " "%1 :%2\n" "JSON brut :\n" "\n" "%3" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Erreur lors de la génération de l'objet cjson : Le JSON analysé n'est pas un " "objet :\n" "%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "Générateur d'entrée (erreur)" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "Générateur d'entrée %1" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Continuer" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Fermer" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Inconnu" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "Le fichier suivant a été modifié :\n" "\n" "%1\n" "\n" "Voulez-vous écraser vos modifications pour tenir compte de la nouvelle " "géométrie ou des options du travail ?" msgstr[1] "" "Les fichiers suivants ont été modifiés :\n" "\n" "%1\n" "\n" "Voulez-vous écraser vos modifications pour tenir compte de la nouvelle " "géométrie ou des options du travail ?" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Remplacer les fichiers d'entrée modifiés ?" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "Des problèmes sont survenus pendant la génération de l'entrée :" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "Aucun fichier d'entrée à sauvegarder !" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "La connexion à MoleQueue a échouée" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "La connexion au serveur MoleQueue a échouée. Veuillez vérifier qu'il est " "bien lancé, puis réessayez." #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "Soumettre le calcul %1" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "La tâche a échouée" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "La tâche n'a pas pu aboutir complètement." #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "Le script à renvoyé des avertissements :\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "Masquer les a&vertissements" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "Afficher les a&vertissements" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "Une erreur est survenue :" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "Sélectionnez le nom du fichier de sortie" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" "Erreur interne : Le widget texte n'a pas pu être trouvé pour le fichier " "« %1 »" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Erreur à la sortie" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "L'écriture du fichier %1 a échouée." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Sélectionnez le dossier de sortie" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1 : Ce dossier n'existe pas !" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1 : Ce dossier ne peut pas être lu !" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1 : Ce fichier va être remplacé." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1 : Ce fichier n'est pas inscriptible." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" "En raison d'une erreur inconnue, il est impossible d'écrire les fichiers " "d'entrée." #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Ces fichiers d'entrée ne sont pas inscriptibles :\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Ces fichiers d'entrée ne sont pas inscriptibles :\n" "\n" "%1\n" "\n" "Avertissements :\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Avertissement :\n" "\n" "%1\n" "\n" "Voulez-vous continuer ?" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Écrire les fichiers d'entrée" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "Configurer la tâche" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Soumettre la tâche à MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Délai de soumission de tâche est expiré" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro a arrêté d'attendre la réponse de MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Attente que la tâche %1 “%2” se finisse…" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "Cesser l'attente" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "Récupération des informations sur les tâches terminées…" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "Délai de tâche est dépassé" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro a arrêté d'attendre les détails de la tâche finis par MoleQueue." #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "Erreur lors de la soumission de la tâche" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "Cette tâche a été refusée par MoleQueue : %1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Aucun programme sélectionné." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" "Veuillez sélectionner le programme cible de la liste « Queue and Program »." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Échec du client pour soumettre une tâche à MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Erreur interne." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Impossible de résoudre la sélection du programme. Ceci est un bug." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Aucune molécule définie dans « BackgroundFileFormat » !" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Aucun Io::FileFormat défini dans « BackgroundFileFormat » !" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Aucun nom de fichier défini dans « BackgroundFileFormat » !" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "Diviseur horizontal" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "Diviseur vertical" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Hydrogène" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Hélium" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Lithium" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Béryllium" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Bore" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Carbone" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Azote" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Oxygène" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Néon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Sodium" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnésium" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Aluminium" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silicium" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Phosphore" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Soufre" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Chlore" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Potassium" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Calcium" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Scandium" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titane" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadium" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Chrome" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Manganèse" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Fer" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Cobalt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nickel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Cuivre" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Zinc" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsenic" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Sélénium" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Brome" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Yttrium" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirconium" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niobium" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molybdène" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Technétium" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Ruthénium" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rhodium" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Argent" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Cadmium" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Étain" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimoine" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Tellure" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Iode" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xénon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Césium" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Baryum" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lanthane" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cérium" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praséodyme" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Néodyme" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Prométhium" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Thulium" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutécium" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantale" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Tungstène" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Rhénium" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platine" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Or" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Mercure" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Thallium" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Plomb" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bismuth" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astate" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Actinium" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Thorium" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protactinium" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uranium" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Américium" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkélium" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Californium" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendélévium" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobélium" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitnérium" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Roentgenium" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Copernicium" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flérovium" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moscovium" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tennesse" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "Parcourir" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "Sélectionner un fichier :" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "Sélectionner un fichier exécutable :" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" "Impossible de trouver un lecteur de fichiers approprié pour le fichier " "sélectionné." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "L'extension de fichier est manquante, le format ne peut donc pas être " "déterminé. Voulez-vous l'ajouter ?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" "Impossible de trouver un éditeur de fichiers approprié pour le format " "sélectionné." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "gestionnaires" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "gérer" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "lecteurs" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "lire" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "éditeur" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "écrire" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" "Plusieurs %1 ont été trouvés qui peuvent %2 ce format. Lequel utiliser ?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "Tous les fichiers" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "Tous les formats supportés" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" "Erreur lors de la lecture de la représentation de la molécule : format de " "fichier non reconnu : %1" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "%1 Message" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Erreur lors de la écriture de la représentation moléculaire en chaîne de " "caractères : format de fichier non reconnu : %1" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" "Erreur lors de la écriture de la représentation moléculaire en chaîne de " "caractères : %1" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "'userOptions' manquant." #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "L'option '%1' n'est pas une référence vers un objet." #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type' n'est pas une chaîne de caractères pour l'option '%1'." #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "Impossible de trouver l'option « %1 »." #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "Onglet %1" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Titre" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "Nome de Base du fichier" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "Cœurs du processeur" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "Type de calcul" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "Théorie" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Base" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "Charge" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "Multiplicité" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "Erreur : la valeur doit être un objet pour la clé '%1'." #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Type de l'option « %1 » non reconnu pour l'option « %2 »." #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" "Erreur du paramètre par défaut pour l'option « %1 ». Type du widget invalide." #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" "Erreur du paramètre par défaut pour l'option « %1 ». Valeur par défaut " "incorrecte :" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Erreur du paramètre par défaut pour l'option « %1 ». Impossible de trouver " "l'index d'entrée de combo valide avec la valeur :" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" "Widget non supporté dans les options de collection pour l'option « %1 »." #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "[pas de molécule]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "Calque %1" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Boules-bâtonnets" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Cartoons" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Contacts proches" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Réseau Cristallin" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Moment dipolaire" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Force" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "Étiquettes" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Dreiding" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "Maillages" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "non covalent" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Éléments de symétrie" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Fil de fer" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "Sans titre" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "Créer une nouvelle vue" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Tableau périodique" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Erreur lors de l'exécution du programme « %1 %2 » : Délai d'attente pour le " "démarrer est écoulé (%3)." #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Erreur lors de l'exécution du programme « %1 %2 » : la modification de stdin " "a échoué (longueur=%3, %4 bytes modifié, erreur QProcess : %5)." #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Erreur lors de l'exécution du programme « %1 %2 » : Délai d'attente pour le " "finir est écoulé (%3)." #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Erreur lors de l'exécution du script « %1 %2 » : Code de sortie anormal %3 " "(%4 : %5)\n" "\n" "Sortie :\n" "%6" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "Avertissement '%1'" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "Le démarrage du script a échoué." #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "Le script s'est écrasé." #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "Délai d'attente du programme est écoulé." #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "Erreur de lecture." #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "Erreur d'écriture." #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "Erreur inconnue." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Modifier les calques" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Retirer le calque" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Supprimer les informations du calque" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Ajouter un claque" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Ajouter des informations au calque" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "Changer le calque" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Ajouter un atome" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Supprimer l'atome" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "Supprimer les atomes" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Ajuster les hydrogènes" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Modifier les éléments" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Modifier un élément" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "Modifier l'hybridation de l'atome" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "Modifier la charge formelle de l'atome" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "Modifier la couleur de l'atome" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "Modifier le calque des atomes" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Ajouter une liaison" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "Liaison supprimée" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "Supprimer les liaisons" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "Définir l'ordre de liaisons" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Changer l'ordre des liaisons" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "Mettre à jour les liaisons" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "Mettre à jour la liaison" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "Ajouter une maille …" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "Supprimer la maille" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "Modifier la maille" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "Regrouper les atomes dans la maille" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "Redimensionner le volume de la maille" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "Construire une supermaille" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "Réduction de Niggli" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "Pivoter vers l'orientation standard" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "Réduire à une maille primitive" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "Réduire à une maille conventionnelle" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "Symétriser la maille" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Remplir la maille" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "Réduire la maille à l'unité asymétrique" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "Modifier les positions des atomes" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "Modifier la position de l'atome" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "Modifier l'étiquette de l'atome" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "Modifier la sélection" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Modifier la molécule" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "Paramètres" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "Impossible d’charger le script %1" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "Vérification des scripts %1 dans le chemin %2" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "Bloque HTML 3DMol." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Fichier" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "E&xporter" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Construction" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Élément :" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Aligner" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" "Aligner les molécules\n" "\n" "Bouton gauche :\tsélectionner jusqu'à deux atomes,\n" "\tLe premier atome est centré à l'origine,\n" "\tLe deuxième est aligné selon l'axe sélectionné.\n" "Bouton droit :\tréinitialiser l'alignement.\n" "Double clic :\tcentrer l'atome à l'origine." #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Axe :" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Aligner à l'origine" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "Aligner sur l'axe" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "Centrer l'atome à l'origine." #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "Faire pivoter la molécule pour aligner l'atome sur l'axe spécifié." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Outil d'alignement" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Aligner les molécules selon un axe cartésien" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "Lancer APBS…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Ouvrir le fichier de sortie…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "&Entrée" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "Ouvrir le fichier de sortie" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "Fichier OpenDX (*.dx)" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "Erreur IO" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "Erreur lors de la lecture du fichier de structure (%1)." #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "Erreur OpenDX" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Erreur de lecture du fichier OpenDX : %1" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "Erreur de lecture du fichier OpenDX : aucun cube trouvé" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Interagir avec les outils d'APBS." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Ouvrir le fichier PDB" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "Fichiers PDB (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Ouvrir le fichier PQR" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "Fichiers PQR (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Erreur" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Erreur lors de l'exécution d'APBS : %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Veuillez spécifier le fichier PDB" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Enregistrer le fichier d'entrée APBS" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "Fichier d'entrée APBS (*.in)" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "Succès" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Fichier d'entrée écrit dans « %1 »" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "Par couleur personnalisée…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "Par indice d'atome …" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "Par distance …" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "Par élément" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "Par chaîne" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "Par charge partielle…" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "Par structure secondaire" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "Par acide aminé" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "Par schéma Shapely" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "Heat" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "Hot" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "Gray" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "Spectral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "Coolwarm" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "Balance" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Blue-DarkRed" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "Appliquer les schémas de couleurs aux atomes et aux résidus." #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Vue" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "Colorer les atomes" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "Colorer les résidus" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "Sélectionner la palette de couleurs" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "Palette des couleurs :" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "Appliquer les couleurs" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Échelle de l'atome" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Échelle de liaison" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "Opacité" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Afficher les liaisons multiples" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Afficher les hydrogènes" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" "Représenter les atomes par des sphères et les liaisons par des cylindres." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Manipulation axée sur les liaisons" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "%L1°" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "%L1 Å" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Outil de manipulation axée sur les liaisons." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Outil utilisé pour modifier la géométrie des molécules en changeant la " "longueur des liaisons et des angles." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Lier les atomes" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "Percevoir l'ordre de liaisons" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Supprimer liaisons" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Configurer les liaisons…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "Lier les atomes sélectionnés" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "Liaison" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "Supprimer les liaisons de tous les atomes ou des atomes sélectionnés." #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "Créer des liaisons parmi tous les atomes ou les atomes sélectionnés." #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "Percevoir l'ordre de liaisons." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Liaisons" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Effectuer des opérations axées sur les liaisons." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "Squelette" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Trace" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Tuyau" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Ruban" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Cartoon simple" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Cartoon" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Corde" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Représenter la biomolécule par de rubans et de cartoons." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Ajouter un ¢roïde" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Ajouter un &barycentre" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Ajouter une &perpendiculaire" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Centroïde" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Ajouter des centroïdes et barycentres." #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "Distance maximale :" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Épaisseur de la ligne :" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Afficher les contact proche entre les atomes." #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "Contact" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "Pont salin" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "Répulsif" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "Modifier la palette d'opacité des couleurs…" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "E&xtensions" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "ColorOpacityMap" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" "Modifier la palette d'opacité des couleurs, principalement pour les rendus " "des volumes." #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Erreur de lecture du fichier de sortie « %1 » :\n" "%2" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "Traitement %1" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "Définir le chemin d'accès à l'interpréteur Python :" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Sélectionnez l'interpréteur Python pour exécuter des scripts externes.\n" "Avogadro doit être redémarré pour que les modifications prennent effet." #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "Scripts de commande" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "Exécuter des scripts de commande externes" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "Paramètres Python…" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "Installer Python" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Python est utilisé pour de nombreuses fonctionnalités d'Avogadro. Voulez-" "vous télécharger Python ?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "Configurer Python" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Configurer les environnements Python." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "Autres…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Éditeur des &coordonnées cartésiennes d'atomes…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Éditeur de coordonnées" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Édition textuelle des coordonnées de l’atome." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Remplacer les modifications ?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "Le document texte a été modifié. Voulez-vous annuler les modifications et " "revenir à la molécule actuelle ?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Trop peu d’entrées en ligne." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Nom de l'élément invalide." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Nom de l'élément." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Symbole de l'élément invalide." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Symbole de l'élément." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "L'étiquette d'atome est invalide." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Indice atomique est invalide." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Indice atomique." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Numéro atomique invalide." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Numéro atomique." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Coordonnées invalides." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "Coordonnée X." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Coordonnée Y." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Coordonnée Z." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "coordonnée « a » du réseau." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "coordonnée « b » du réseau." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "coordonnée « c » du réseau." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Erreur d'application de la géométrie" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Impossible d’analyser les spécifications de la géométrie. Corrigez les " "erreurs surlignées et ressayez.\n" "\n" "(Aide : passez la souris sur le texte rouge pour obtenir une description de " "l’erreur.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Modifier les coordonnées de l’atome" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Personnalisé" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "Format XYZ (symboles)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "Format XYZ (noms)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "Format XYZ (numéros atomiques)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Coordonnées du réseau (symboles)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Coordonnées du réseau (noms)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Coordonnées du réseau (nombres atomiques)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "Format GAMESS (symboles)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "Format GAMESS (noms)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Format Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "Copier" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "InChI" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "Couper" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "&Effacer" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "&Coller" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "&Éditer" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "Copier comme" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "Erreur lors de tailler la molécule" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "Erreur de la génération des données du presse-papier." #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Format de sortie : %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Erreur du lecteur :\n" "%1" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "Erreur pour coller la molécule" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Impossible de coller la molécule : presse-papier vide !" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "Erreur de lecture des données du presse-papiers." #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Format détecté : %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Copier et coller" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Interagir avec le presse-papier." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "Entrée CP2K" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "Générer les données d’entrées pour CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Énergie" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "Énergie et Forces" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "Dynamique moléculaire" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "Optimisation de la géométrie" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "Méthodes de la structure électronique (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "Mécanique moléculaire" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Théorie classique quantique hybride (pas encore supportée)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "AUCUN" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "ATOMIQUE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "CŒUR" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "DENSITÉS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "REDÉMARRER_L'HISTORIQUE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "ALÉATOIRE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "REDÉMARRER" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "SPARSE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "Gradients conjugués" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "Descente la plus forte" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "Le fichier d'entrée a été modifié. Voulez-vous remplacer vos modifications " "pour utiliser la nouvelle géométrie ou les options de travail ?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "Remplacer le fichier d'entrée modifié ?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "Sauvegarder le fichier d'entrée CP2K" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "Soumettre le calcul CP2K" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Importer un cristal à partir du presse-papier…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Changer de maille" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Modifier la maille…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Regrouper les atomes dans la maille" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Pivoter vers l'&orientation standard" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Redimensionner la maille à un &Volume…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "Construction &d'une supermaille…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Réduire la maille (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "&Cristal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Supprimer la &maille" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Afficher la &maille" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "Importer un cristal depuis le presse-papiers" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "Envelopper les atomes dans la maille." #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "Tourner la maille pour obtenir l'orientation standard." #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "Réduire le cristal (algorithme Niggli)" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "Cette maille est déjà réduite." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Cristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Outils axés sur l'édition et l'analyse des cristaux." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "Couleurs d'axes :" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Couleur de ligne :" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Afficher les limites de la maille." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Impossible d'analyser le texte" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Échec lors de la lecture des données avec le format fourni." #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "Aucune maille est présente." #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "Réassigner &des éléments personnifiés…" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" "Manipuler les types des éléments personnalisés dans la molécule actuelle." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Éléments personnalisés" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "Rends le moment dipolaire de la molécule." #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Dessiner" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Dessiner un atome" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "Changer le type de liaison" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "Supprimer la liaison" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Distance :" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "%1 %L2" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Outil d’édition" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "Automatique" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Simple" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Double" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Triple" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "&Importer" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "Récupérer la PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "Impossible de lire la molécule PDB : %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "Identifiant PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Structure chimique à télécharger." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Code PDB est invalide" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "Un code PDB valide se compose d'exactement 4 caractères." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "Le premier caractère du code PDB doit être un chiffre de 1 à 9." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "Requête pour %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Le téléchargement depuis le réseau a échoué" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Délai d'attente du réseau est expiré, ou autre erreur." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "La molécule spécifiée n'a pas pu être trouvée : %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Récupérer depuis la PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" "Télécharger des modèles PDB depuis la banque de données sur les protéines" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "Sélection du focus" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "Retirer le focus" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Donner focus" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Focaliser la vue sur des caractéristiques spécifiques." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Faire un rendu du champs de force pour les atomes de la molécule." #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "Optimisation de la géométrie" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "Forces" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "Configurer…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "Congeler les atomes sélectionnés" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "Décongeler les atomes sélectionnés" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "&Calculer" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "Aucun atome fourni pour l'optimisation" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 Énergie = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 Norme de force = %L2" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "Optimisation par champ de force" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "Optimisation par champ de force, y comprit les scripts" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Détection automatique (%1)" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "Champ de force universel (UFF)" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "Champ de force Amber (GAFF)" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "Champ de force Merck (MMFF94)" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" "Erreur lors de la récupération des métadonnées du script d'énergie : %1" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "Erreur lors de l'analyse des métadonnées du script d'énergie : %1" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" "Erreur lors de l'analyse des métadonnées du script d'énergie : %1\n" "Le résultat n'est pas un objet JSON.\n" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "Données d’entrée GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Générer les données d'entrée pour GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "Point unique" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Géométrie à l'équilibre" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "État de transition" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Fréquences" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Potentiel de cœur" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gaz" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Eau" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Singulet" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Doublet" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Dication" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Cation" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neutre" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "Sauvegarder le fichier d’entrée GAMESS" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "Soumettre le calcul GAMESS" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Ajuster les hydrogènes" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Ajouter les hydrogènes" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Supprimer les hydrogènes &supplémentaires" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Supprimer tous les hydrogènes" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "Ajouter/supprimer des hydrogènes de la molécule actuelle." #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "&Hydrogènes" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hydrogènes" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "&Recherche PQR…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Importer de PQR" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Télécharger une molécule depuis PQR." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "ADN/ARN…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Insérer" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "Insérer un ADN/ARN…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "Uracile" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "Thymine" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "Insérer une molécule…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "Génération d’une molécule en 3D…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "Insérer de l’ADN" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "Insérer des fragments d’ADN/ARN par une boîte de dialogue." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "&Molécule…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Cristal…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "Erreur de lecture du fichier (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "Importer un cristal" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Insérer un fragment" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Insérer un fragment" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" "Insérer des fragments moléculaires pour construire de plus grandes molécules." #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "Couleur :" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "Distance du centre :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Rien" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "Indice" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "ID unique" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Élément" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "Élément & nombre" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "Élément & ID" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "Charge partielle" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "Étiquettes de l'atome :" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "Nom" #: qtplugins/label/label.cpp:236 msgid " & " msgstr " & " #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "Étiquette du résidu :" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Afficher un modèle boule-bâtonnets étiqueté." #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "Modifier les étiquettes" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "Créer une étiquette" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "Outil d'édition d'étiquettes" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "Données entrée LAMMPS" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Générer de données d'entrée pour LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Souhaitez-vous de mettre à jour le texte de l'aperçu, en perdant toutes les " "modifications apportées dans le volet d'aperçu de la plate-forme d'entrée " "Lammps ?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Opacité :" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "Faire un rendu d'atomes comme bâtonnets." #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "Aucun descripteur n'a été trouvé !" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "Aucun éditeur de texte ligne par ligne n'a pas été trouvé !" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "Impossible de charger le lecteur de format demandé." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "LineFormatInput" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" "Charger des descripteurs d'une seule ligne pour une molécule par le biais " "d'un dialogue de saisie." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipuler" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Outil de manipulation" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Mesure" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Dièdre :" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Angle :" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "Angles :" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Outil de mesure" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "Faire un rendu du maillage des polygones." #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(en attente)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "molécule inconnue" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "Propriété" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "Nom de la molécule" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "Masse moléculaire (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "Nombre d'atomes" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "Nombre de liaisons" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "Nombre de résidus" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "Nombre de chaînes" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "moment dipolaire (Debye)" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "enthalpie (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "entropie (kcal/mol•K)" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "enthalpie libre de Gibbs (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "groupe ponctuel de symétrie" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "&Moléculaire…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "Voir les propriétés générales d'une molécule." #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "&Analyse" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Propriétés" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Propriétés de la molécule" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Propriétés de la molécule" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "Export en format CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "Fichiers CSV (*.csv) ;; Tous les fichiers (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "Impossible d'ouvrir le fichier pour l'écriture." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "Erreur lors de l'écriture au fichier." #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "Exporter…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Naviguer" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "Tourner la scène selon les axes x, y ou z." #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "Magnifier la scène." #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "&Translater la scène." #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "Inverser le sens du zoom sur le bouton de la rouelle" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" "Défaut : Défiler vers le bas pour réduire, vers le haut pour agrandir\n" "Inversé : Défiler vers le haut pour réduire, vers le bas pour agrandir" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Outil de navigation" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Nom chimique" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Base de données en réseau" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" "Interagir avec les bases des données sur ligne, interroger des structures, " "etc." #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "Tolérance de l'angle :" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Afficher quelques interactions non covalentes." #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "Halogène" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "Chalcogène" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "Configurer le champ de force…" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "Recherche de conformères…" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "Percevoir les liaisons" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "Ajouter des hydrogènes pour un valeur pH de…" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "Supprimer les Hydrogènes" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" "%1 n'a pas été trouvé ! Désactivation des actions des greffons Open Babel." #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "Les formats de fichiers d'Open Babel ne sont pas prêt à être ajouté." #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "Chargement de la molécule depuis Open Babel…" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Une erreur interne s'est produite : OpenBabel::readMolecule a été appelé, " "mais aucun résultat n'est disponible pour être analysé !" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" "Une erreur interne s'est produite pendant l'exécution de Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "Erreur lors de l'analyse des résultats d'Open Babel." #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Une erreur s'est produite lors de la récupération de la liste des champs de " "force pris en charge. (Utilisant « %1 »)." #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molécule invalide. La géométrie ne peut pas être optimisée." #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "Impossible d'optimiser la géométrie avec Open Babel." #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "Optimisation de la géométrie (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "Génération…" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Une erreur interne s'est produite lors de la génération d'une représentation " "Open Babel de la molécule actuelle." #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Lancement de %1…" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Pas %1 de %2\n" "Énergie actuel : %3\n" "dE : %4" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "Mise à jour de la molécule…" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "Erreur lors de l'interprétation de la sortie de Open Babel." #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Le résultat (%1) ne contient pas le même nombre d'atomes que la molécule " "d'origine (%2)." #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "Molécule invalide. Impossible de générer des conformères." #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "Ne peut pas générer des conformères avec Open Babel." #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "Génération des conformères (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "Générer des conformères" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "Impossible d'ouvrir le fichier avec Open Babel." #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Molécule invalide : Impossible de percevoir les liaisons." #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "Percevoir les liaisons (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "Génération d'une représentation XYZ…" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "Erreur lors de la génération de la chaîne de caractères XYZ." #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Conversion de XYZ en Open Babel avec %1…" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "Mise à jour la molécule depuis Open Babel…" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "Impossible d'ajouter des hydrogènes avec Open Babel." #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "Ajouter des hydrogènes (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "Génération des données d'entrée pour Open Babel…" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "Erreur lors de la génération de données d'entrée de Open Babel." #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "En cours de l’exécution %1 …" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "Ajouter des hydrogènes pour un pH de" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "pH :" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "Génération de l'entrée d'Open Babel…" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "Impossible de supprimer les hydrogènes avec Open Babel." #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "Supprimer les hydrogènes (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "Erreur lors de la génération des données d'Open Babel." #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "Lecture des résultats d'Open Babel…" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Open Babel est déjà en cours d'exécution. Attendez que l'opération soit " "terminée et réessayez." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "Open Babel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Interagir avec les fonctionnalités d'Open Babel." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "Script &OpenMM…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "Entrée OpenMM" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Générer les données pour OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Souhaitez-vous de mettre à jour le texte de l'aperçu, en perdant tous les " "changements effectués dans le panneau d'aperçu de la plate-forme d'entrée " "d'OpenMM ?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "Vrai" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "Axes de référence" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "Superposition des axes de référence" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "Afficher les axes de référence au coin de l'écran." #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "Lecteur" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "Outil d'animation\t(%1)" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "Lire" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Arrêter" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "Fréquence d'images :" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr " IPS" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "Image :" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " sur %0" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "Liaisons dynamiques ?" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "Enregistrer la vidéo…" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "Vidéo (*.mp4)" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "Exporter les graphismes matriciels" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Vidéo (*.mp4);;Vidéo (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "avertissement GIF nombre IPS supporté" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" "Le format de ficher GIF ne supporte pas une cadence d'images supérieure à " "100 IPS." #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "Vidéo (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "Erreur : ne peut ajouter la trame à la vidéo." #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "Impossible d’enregistrer le fichier %1." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Outil lecteur" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Lecture des trajectoires" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "Tracer la fonction de distribution des paires (PDF)…" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "Échec de générer un modèle PDF" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "Message d'erreur : " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" "Calculer et tracer la courbe de la fonction de distribution des paires (PDF)." #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "Tracer la courbe RMSD…" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "PlotRmsd" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "Générer et tracer une courbe RMSD." #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "Tracer le diffractogramme XRD théorique…" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "Échec de générer un diffractogramme XRD théorique" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "Échec de conversion de la molécule au format CIF." #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Les données genXrdPattern apparaissent d'être corrompues !" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "Erreur : impossible de localiser l’exécutable genXrdPattern !" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "Erreur : " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" "Générer et tracer un diffractogramme XRD théorique en utilisant ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "Mise à jour" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "Version" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "Description" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "Ce greffon nécessite certains paquets à installer.\n" "Vous voulez les installer ?" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "Toujours" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "Jamais" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Téléchargement de %1 vers %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Extraction de %1 vers %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "%1 fichiers traités\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "Extraction réussie\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "Erreur lors de l'extraction : %1" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "Télécharger des greffons…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Télécharger des greffons" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Télécharger les greffons depuis les répertoires GitHub." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "Rendu PLY…" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "Enregistrer le fichier" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Fichier Texte (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "Faire un rendu de la scène avec PLY." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "Rendu POV-Ray…" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Fichier Texte (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Faire un rendu avec POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Valence" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "Charge formelle" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "%1 Charge partielle" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "Couleur" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Atome" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Type" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "Atome de départ" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "Atome terminal" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "Ordre de liaison" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Longueur (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "Chaîne" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "Structure secondaire" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "Hétérogène" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "Atome 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Sommet" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "Atome 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "Angle (°)" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "Atome 2" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "Atome 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "Énergie (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "Ajuster le fragment" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "Hélice π" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "Plié" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "Hélice α" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "Feuillet β" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Hélice 3-10" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "Pont β" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "Tourne" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "Ressort hélicoïdal" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Propriétés de l'atome…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Propriétés de la liaison…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Propriétés de l'angle…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Propriétés de la torsion…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Propriétés des résidus…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "Propriétés des conformères …" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" "Tableaux pour afficher et modifier des propriétés des atomes, des liaisons, " "des angles et des angles de torsion." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "Tableaux des Propriétés" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Propriétés des atomes" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Propriétés des liaisons" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Propriétés des angles" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Propriétés des angles de torsion" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Propriétés des conformères" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "Propriétés des résidus" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Affiche les primitives selon les propriétés QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Graphe moléculaire…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "Graphe moléculaire avec les doublets non liant…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "Charge partielle…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Ouvrir un fichier WFN" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Fichiers WFN (*.wfn);; Tous les fichiers (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Extension QTAIM" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "Entrée quantique" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "Générer les données d'entrée pour les codes quantiques." #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "Centrer" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "Aligner la vue sur les axes" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "Aligner la vue sur les axes." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Réinitialiser la vue" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Manipuler la caméra de la visualisation." #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "Scripts des Charge Models" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "Chargez des modèles électrostatiques à partir de scripts externes." #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "Formats des fichiers script" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" "Charger les lecteurs de fichiers/éditeurs à partir de scripts externes." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Sélectionner tout" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Sélectionner aucun" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Inverser la sélection" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Sélectionner par élément…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Sélectionner par l'indice atomique…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Sélectionner par résidu…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "Sélectionner des atomes du résidu…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "Sélectionner des atomes de la chaîne latérale…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "Sélectionner les molécules d'eau" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "Augmenter la sélection" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "Réduire sélection" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "Créer un nouveau calque avec la sélection" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Changer les sélections" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Sélectionner" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Sélectionner l'élément" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "Sélectionner le squelette" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "Sélectionner branche" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Sélectionner les atomes par indice" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Atomes à sélectionner :" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Sélectionner un atome" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Sélectionnez des atomes par résidu" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Résidus à sélectionner :" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "Sélectionner le résidu" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "Sélectionner" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Sélection" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "Colorer les atomes" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Outil de sélection" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "Nouveau calque" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "Détecter le groupe d'espace …" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "Symétriser" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "Remplir la maille…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "Réduire à l'unité asymétrique" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "Définir la tolérance…" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "Groupe d'espace" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" "Remplir les atomes symétriques basés sur le groupe d'espace cristallin." #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "Détecter le groupe d'espace" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "Le groupe d'espace est déjà défini comme : %1.\n" "Voulez-vous le remplacer ?" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "Échec" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "La détection du groupe d'espace a échouée.\n" "Souhaitez-vous la réessayer avec une tolérance différente ?" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "Réduction primitive" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "La tolérance est actuellement définie à : %1.\n" "Continuer avec cette tolérance ?" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "La réduction à une maille primitive a échouée.\n" "Vérifiez vos données et essayez à nouveau une réduction avec une tolérance " "différente." #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "L’établissement d'une maille conventionnelle a échoué.\n" "Vérifiez vos données et essayez-le à nouveau avec une tolérance différente." #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Échec de la symétrisation.\n" "Veuillez vérifier vos données et essayez-la à nouveau avec une autre " "tolérance." #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "Sélectionner la tolérance en Å :" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "International" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "Choisissez un groupe d'espace" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "Groupe d'espace" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "Caractéristiques des groupes d'espace pour les cristaux." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "&Plot des Spectres…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "Spectres" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "Afficher les spectres." #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "Infrarouge" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "RMN" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "Électronique" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "Dichroïsme circulaire" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "Densité d'États" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Choisir la couleur d'arrière-plan" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Choisir la couleur du premier plan" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "Choisir la couleur des spectres calculés" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "Choisir la couleur des spectres importés" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "Spectres vibrationnel" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "nombre d'ondes (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "Transmission" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "Spectres Raman" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "Intensité" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "Spectres RMN" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "Déplacement chimique (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "Spectres électronique" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Énergie (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "Spectres de dichroïsme circulaire" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "Densité" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Orbitale" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Symétrie" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "État" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HO" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "BV" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "accessible au solvant" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "solvant exclus" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Orbitale moléculaire" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Densité électronique" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "Densité spin" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "OM %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "Depuis le fichier" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "&Créer les surfaces…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "Faire un rendu la surface van der Waals." #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "Faire un rendu de la surface moléculaire van der Waals." #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "Faire un rendu de la surface moléculaire accessible au solvant." #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "Faire un rendu de la surface moléculaire du solvant exclu." #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "Faire un rendu d'une orbitale moléculaire." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "Faire un rendu de la densité électronique." #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "Faire un rendu de la densité spin." #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "Rends un cube fourni avec le fichier." #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "Calcul de la densité électronique en cours" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "Calcul de la densité spin en cours" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Calcul de l'orbital moléculaire %L1 en cours" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "Vidéo AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "Exporter la vidéo" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Vidéo MP4 (*.mp4);;Vidéo AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Surfaces" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Lire et faire un rendu des surfaces." #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Faire un rendu de la scène dans un fichier SVG." #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "Classe" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "Symétrie…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Fournir une fonctionnalité de symétrie." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Faire un rendu des éléments de symétrie." #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "Groupe %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "Template" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "Presse-papier" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "Insérer Template" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "Insérer un ligand" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "Outil de Templates" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Affichage simple des sphères van der Waals." #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "&Modes de vibrations…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "Afficher la boîte de dialogue des modes vibrationnels." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Définissez le mode vibrationnel." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "Définissez l'amplitude de la vibration." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "Démarrez l'animation des vibrations." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "Arrêter l'animation des vibrations." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "Vibrations" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "Afficher les modes vibrationnels." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "Rendu VRML…" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Fichier Texte (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Faire un rendu de la scène avec VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Faire un rendu de la molécule en fil de fer." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "Calcule de la structure de bandes…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "Impossible de calculer la structure de bandes : pas de maille !" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "L'exécution de Yaehmop a échouée avec l'erreur suivante :\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "Échec de lire la structure de bandes de la sortie de Yaehmop !" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "Un seul point spécial k a été trouvé dans la sortie Yaehmop ! Deux ou " "plusieurs sont nécessaires !" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "Bande %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "Niveau de Fermi" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "Impossible de localiser Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "Erreur : %1 n'a pas pu démarrer" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "Entrée Yaehmop" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Effectuer des calculs de Hückel étendue avec yaehmop." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Boîte de dialogue" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Formulaire" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Paramètres de calcul" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "Texte provisoire…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Rétablir" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "Déboguer le script…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "Soumettre le calcul…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Enregistrer l'entrée…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "File d'attente et programme :" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "Rafraîchir" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" "

      Le nombre de cœurs du processeur à réserver pour cette " "tâche.

      " #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Cœurs du processeur :" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" "

      Supprimer les fichiers intermédiaires dès que la tâche " "est accomplie. Les résultats seront gardées dans la mémoire cache locale de " "MoleQueue.

      " #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Supprimer les fichiers distants quand terminé :" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" "

      Test pour éviter que cette tâche apparaisse dans " "l'interface graphique de MoleQueue par défaut.

      " #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Masquer la tâche dans MoleQueue :" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" "

      Afficher une notification contextuelle du système dès " "que le statut d'une tâche change.

      " #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Afficher les notifications de progression :" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Ouvrir la sortie dès que terminé :" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Renommer les éléments" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "Insérer un fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filtre :" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Saisissez un nom ou une partie d'un nom pour n'afficher que les fichiers " "correspondants." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Insérer" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "Snippet 3DMol HTML" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Copier dans le presse-papiers" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Fichier d'entrée d'une structure" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Générer l'entrée depuis le PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "Fichier PDB :" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Champ de force :" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Lancer PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Charger un fichier PQR présent" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "Fichier PQR :" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "Fichier d'entrée APBS" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Sauvegarder le fichier d'entrée" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Lancer APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Succès !" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Charger un fichier de structure" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Ouvrir un fichier Cube" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "Charges partielles" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "Modèle de charge :" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Tolérance de distance :" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Distance minimale :" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "Rendu du volume" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "Cube" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "Activer le rendu du volume" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "Activer le rendu de surface" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "Isovaleur" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "Seul l’environnement conda « base » existe.\n" "Voulez-vous créer un nouvel environnement pour Avogadro ?\n" "Cela fera une copie de votre environnement de base.\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "Nom de l'environnement :" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Sélectionnez la version Python utilisée pour exécuter des scripts.\n" "Ensuite, redémarrez Avogadro pour que les modifications soient prises en " "compte." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "Environnement :" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Éditeur de coordonnées" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Prédéfini :" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Unité de distance :" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Angström" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format :" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" "

      Spécification du format. Chaque caractère représente " "une valeur à écrire par atome :

      # - Indice atomique (1, 2, ..., numAtoms)
      Z - Nombre atomique (par exemple \"6\" pour carbone)
      G - Nombre atomique, style GAMESS " "(par exemple \"6.0\" pour carbone)
      N - nom de l'élément (par exemple \"carbone\")
      S - Symbole d'élément (par exemple \"C\" pour " "Carbone)
      L - étiquette de " "l'atome (par exemple \"C2\" comme deuxième atome du carbone, \"H1\" comme le " "premier hydrogène)
      x - " "coordonnée de position X
      y - " "coordonné de position Y
      z - " "coordonnée de position Z
      a - " "coordonnée du réseau 'a' (cristaux uniquement)
      b - coordonnée du réseau 'b' (cristaux uniquement)
      c - coordonnée du réseau " "'c' (cristaux uniquement)
      _ - " "Un espace littéral (\" \"), utile pour l'alignement
      0 - Un 0 littéral (\"0\"), utile comme option ou " "drapeau d'optimisation
      1 - Un 1 " "littéral (\"1\"), utile comme option ou drapeau d'optimisation

      " #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "Aide…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Coller" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Rétablir" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Appliquer" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "Entrée CP2K" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Tout réinitialiser" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Par défaut" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "Sauvegarder le fichier…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "Configuration de &base" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Titre :" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "Base du nom du ficher :" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "tâche" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "À Calculer :" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Méthode :" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Base :" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Fonctionnel" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Emax Spline Spin" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Poisson EWALD type" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Poisson EWALD Alpha" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "Poisson EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "VRAI" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "OUTER EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" "Extension de fichier pour les conversions d'Open Babel (par défaut - " "Avogadro::POSCAR) :" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Paramètres de la supermaille" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "empilements de la maille actuelle" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "multiples le long de l'axe a :" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "multiples le long de l'axe b :" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "multiples le long de l'axe c :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "Éditeur de la maille" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Cell Matrix :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Fractional Matrice  :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "&Repositionner les atomes" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Appliquer" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Rétablir" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Masquer" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Redimensionner la maille à un volume" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "Nouveau &volume :" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Coefficient multiplicateur :" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Volume actuel :" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Étiquette" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Ordre de liaison :" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Paramètres d'optimisation de la géométrie" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Critères de convergence" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "Convergence de l'énergie :" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Limite d'étapes :" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " unités" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " étapes" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "Convergence du gradient :" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Méthode d'optimisation" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Champs de force :" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Détection automatique" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Entrée GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Dans :" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicité :" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Avec :" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Charge :" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "Importer de PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Rechercher" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nom" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "étiquette" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "synonyme" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "formule" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Rechercher par : " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Formule :" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Télécharger" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Nom :" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Insérer des acides nucléiques" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "Générateur d'ADN/ARN" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "ADN" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "ARN" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Acides nucléiques :" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adénine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Cytosine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanine" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Séquence :" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "nombre de paires de base par tour d'hélice" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "Autre" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Bases par tour :" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Brins :" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "Simple" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Double" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "Entrée LAMMPS" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Commentaires du fichier d'entrée" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Sélectionner le type d'unité à utiliser durant la simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Unités" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "réel" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "métal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "électron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Potentiel de l'eau" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Sélectionnez le style d'atome utilisé dans le fichier de données." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Style d'atome" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "angle" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomique" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "liaison" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "charge" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipôle" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "ellipsoïde" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "totale" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "ligne" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "méso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "moléculaire" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "péri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "sphère" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "paquet d'ondes" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Spécifiez le nom à utiliser pour le fichier de coordonnées." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Fichier de coordonnées" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Ensemble" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Température" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Sélectionnez le nombre de chaînes Nosé-Hoover dans l'ensemble NVT." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "Chaînes NH" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "Intervalle de temps pour la simulation selon le choix d'« Unités »." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Intervalle de temps" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Nom du fichier XYZ à écrire durant la simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Copie des XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Nombre de dimensions du système." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensions" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Modifier le style de la limite en Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "fm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Modifier le style de délimitation selon la direction Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Modifier le style de délimitation selon la direction X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" "Sélectionner les styles de délimitation selon les directions X, Y et Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Limite" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Nombre de répliquants en directions X, Y, et Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Reproduire" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Reproduire en X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Reproduire en Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Reproduire en Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Nombre total des pas de temps pour la simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Nombre total des pas" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Intervalle de copie" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Définir les vélocités initiales des atomes pour la simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Vitesses initiales" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Choisir la distribution des vitesses initiales des atomes." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussienne" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "uniforme" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" "Choisir les vitesses initiales des atomes correspondant à cette température." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" "Retirer la quantité de mouvement linéaire du système des vélocités initiales." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Quantité de mouvement linéaire nulle" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" "Retirer la quantité de mouvement angulaire du système des vélocités " "initiales." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Quantité de mouvement angulaire nulle" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Contrôler la sortie thermodynamique pendant la simulation." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Sortie" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Intervalle de sortie" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Style de sortie thermodynamique." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Une ligne" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Ligne multiple" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Utiliser le formulaire" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "Générer…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Descripteur :" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Translater par :" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Tourner autour de :" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Origine" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "Axe des X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Axe des Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Axe des Z" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "Atomes sélectionnés" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Recherche de conformères" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Méthode" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "Nombre de conformères :" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Recherche systématique de rotateurs" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Recherche aléatoire de rotateurs" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Recherche pondérée de rotateurs" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Recherche par algorithme génétique" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "Optimisation par conformères :" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Options de l'algorithme génétique" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "nombre d'enfants pour chaque géométrie parentale" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "Enfants :" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "fréquence de mutation (plus petite = mutations plus fréquentes)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "Mutabilité :" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" "nombre de générations identiques pour prouver que la convergence est atteinte" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "Convergence :" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "Méthode d'évaluation :" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" "méthode d'évaluation de l'algorithme génétique (RMSD = distance géométrique, " "énergie = énergie les plus basses)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "RMSD" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Algorithme d'optimisation :" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Technique de la recherche linéaire :" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Plus grande pente" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "Gradient conjugué" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Simple" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Méthode de Newton" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "limiter les interactions non-covalentes" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "distance limite van der Waals :" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "fréquence d'actualiser les paires non liées :" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "distance de coupure électrostatique :" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "Å" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "convergence « d'énergie » :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "éditeur des scripts OpenMM" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Nom du script de tâche :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "script" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Coordonnées d'entrée :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Topologie d'entrée :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Champ de force :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Modèle d'eau :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Solvant implicite (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Plateforme :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Référence" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Précision :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "simple" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "mélangé" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "double" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Index de l'appareil :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "Index des plateformes OpenCL :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "Méthode non liée :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "NoCutoff" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "CutoffNonPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "CutoffPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Tolérance Ewald :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Contraintes :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "HBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "AllBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "HAngles" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "Tolérance des contraintes :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "Eau rigide ?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "Faux" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "Coupure non liante :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr " nm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Vecteur vitesse initiale aléatoire :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Temp. de génération :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Intégrateur :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Brownien" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "VariableLangevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "VariableVerlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "Période de temps :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr " fs" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Tolérance d'erreur :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Taux de collisions :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "/ps" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Température :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Régulateur barostatique :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Pression :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr " atm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Intervalle du régulateur barostatique" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Reporteurs :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "StateData" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Intervalle de rapport :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "Étapes d'équilibrage :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Étapes de production :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Minimiser ?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Max. Minimize Steps :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "Options de StateData :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Index des étapes" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Temps" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Vitesse" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Progression" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Énergie potentielle" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Énergie cinétique" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Énergie totale" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "Volume" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "Options de tracé du fichier PDF" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Rayon maximal :" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Étape (dr) :" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Options du diffractogramme XRD théorique" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" "

      L'élargissement du pic à la base du pic (en degrés)" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" "

      La valeur maximale 2thêta en degrés

      Valeur par " "défaut : 162.00°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" "

      L'élargissement des bases des pics en degrés.

      Valeur par défaut : 0,52958°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Nombre de points :" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Largeur du pic :" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Longueur d'onde :" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" "

      La longueur d'onde des rayons X en Angströms.

      Valeur par défaut : 1.50560 Å

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" "

      Le nombre de points de 2theta à générer

      Valeur " "par défault : 1000

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "Max 2*thêta :" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Télécharger les sélectionnés" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Rayon de point critique :" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Rayon de chemin de liaison :" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalent" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Taille constante" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Appliquer la couleur" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "Afficher des spectres" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "Facteur d'échelle :" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "Axe des X, Minimum :" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "l'axe des X, maximum :" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "Décalage :" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "l'axe des Y, maximum :" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "Axe des Y, minimum :" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "Largeur du pic :" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "Seuil de pic :" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Apparence" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Afficher" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" "Importe un fichier tsv de spectres expérimentaux à superposer au tracé." #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Importer..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Définir la couleur..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Spectres importés :" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Exporter..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Arrière-plan :" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "Spectres calculés :" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "Taille de caractères :" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "largeur de ligne :" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Exporter les données" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Fermer" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&Options…" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Commandes :\n" "Double clic gauche : restaure les limites des axes par défaut\n" "Clic droit + drag : déplace le tracé\n" "Clic central : agrandit la région\n" "Molette : zoom curseur" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "&Lire les données..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Qualité : " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Très basse" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Basse" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Moyenne" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Élevée" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Très élevée" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Générer les surfaces" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Surface :" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alpha" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "bêta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Colorer par :" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "Potentiel électrostatique" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Résolution :" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Valeur d'isosurface :" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "Lissage :" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Faible" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "Fort" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calculer" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molécule" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Atomes symétriquement équivalents :" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Verrouiller la symétrie" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Opérations" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Éléments de symétrie :" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Sous-groupes" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Sous-groupes :" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolérance :" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "serrée" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "normale" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "lâche" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "très lâche" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Détecter la symétrie" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "Centres" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "Charge formelle :" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "0" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "+ 1" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "+2" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "+3" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "+4" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "+5" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "+6" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "+7" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "Coordination :" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6 : octaédrique" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1 : Linéaire" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2 : Linéaire" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3 : trigonal (plan)" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4 : Tétraèdre" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4 : Carré (plan)" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5 : Bipyramide trigonale" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5 : Pyramide à base carrée" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6 : Prisme trigonal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7 : Bipyramide pentagonale" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8 : Antiprisme carré" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "Ligands" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "Type :" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "Monodenté" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "Bidenté" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "Tridenté" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "Tetradenté" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "Hexadenté" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "Haptique" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "Du presse-papiers" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "Ligand :" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Groupes" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "Groupe :" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "amide" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "carboxylate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "ester" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "éthylène" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "éthyne" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "nitro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "phényle" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "phosphate" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "sulfonate" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "&Modes vibratoires" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitude :" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "Démarrer l'animation" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "Arrêter l'animation" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Bande Yaehmop" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Y min : " #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" "

      Le niveau de Fermi doit être connu avant de cocher " "cette case. Vous pouvez déterminer le niveau de Fermi en effectuant un " "calcul de la densité d'états et en affichant les données (il sera en haut " "des données). Ainsi, dès que le calcul de densité d'états est accompli, le " "niveau de Fermi sera automatiquement accordé au résultat du calcul de " "densité d'états.

      Si cette case est cochée, assurez-vous que le niveau " "de Fermi correct est défini dans la boîte sur la droite.

      Valeur à " "défaut : off

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "Dessiner le diagramme de Fermi ?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" "

      Ajuster les énergies pour que le zéro soit le Fermi ? " "Seulement disponible si nous dessinons le niveau de Fermi.


      Valeur par défaut : off

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "Niveler le niveau de Fermi à zéro ?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "# de points k reliant des points spéciaux k :" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Points spéciaux k" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Y max : " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "

      Le niveau de Fermi

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" "

      Enter k-points spéciaux comme tels :

      L 0.5 0.5 " "0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      C'est-à-dire, <" "symbole> <x> <y> <z> où x, y, et z sont des coordonnées " "fractionnaires en espace réciproque. Les lignes seront tracées en reliant " "ces points k sur le graphique dans l'ordre où vous les mettez. Veuillez " "noter que l'orientation de votre cellule peut avoir un effet sur les " "emplacements de ces points d'espace réciproque.

      Si le groupe d'espace " "du cristal a été perçu ou réglé, les points de k spéciaux seront " "automatiquement remplis des points de symétrie haute cellule primitive pour " "ce groupe d'espace. Il y a quelques groupes d'espaces différents points de " "symétrie haute en fonction du treillis (comme si un > b ou un < b) - " "qui est pris en compte automatiquement

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" "

      Entrez le nombre de points k qui relieront les points " "k spéciaux. Plus il y a de points k, plus le graphique est lissé, mais le " "calcul peut prendre plus de temps.

      Valeur par défaut : 40

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" "

      Limiter l'intervalle des ordonnées dans le graphique ?" "

      Valeur par défaut : off

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "Limiter l'intervalle des ordonnées ?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" "

      Le nombre de dimensions périodiques.


      Si vous le ajuster à 1, le matériau sera périodique seulement le long " "du vecteur A du cristal.


      Si égal à 2, la périodicité du " "matériau est le long les vecteurs A et B du cristal.


      Si " "égal à 3, la périodicité suit les vecteurs A, B et C du cristal.


      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Nombre de dimensions :" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "Afficher l'entrée Yaehmop ?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" "Contributions du Launchpad : Geoffrey Hutchison, Laurent Peuch, Louis " "Ricard, Maijin, Nizar Kerkeni, Benoit Jacob, Mathieu Pasquet, Pierre " "Slamich, Jean-Marc, etc et les traducteurs via Weblate" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" "benoitjacob@users.sourceforge.net, louis.ricard@polytechnique.fr, " "psycojoker@gmail.com, louis.ricard@polytechnique.edu nizar.kerkeni@gmail." "com, jacob.benoit.1@gmail.com, nizarus@nizarus.org, nizarus@nizarus.tn, " "pierre.slamich@gmail.com, etc" #~ msgid "eV" #~ msgstr "eV" #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "Charge partielle" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Outil de manipulation axée sur les liaisons\n" #~ "\n" #~ "Bouton gauche :\tcliquer et glisser pour tourner la vue.\n" #~ "Bouton central :\tcliquer et glisser pour effectuer un zoom avant ou " #~ "arrière.\n" #~ "Bouton droit :\tcliquer et glisser pour déplacer la vue.\n" #~ "Double clic :\tréinitialisation de la vue.\n" #~ "\n" #~ "Clic gauche et glisser sur une liaison pour définir le plan de " #~ "manipulation :\n" #~ "Clic gauche et glisser un des atomes de la liaison pour modifier son " #~ "angle\n" #~ "Clic droit et glisser un des atomes de la liaison pour modifier sa " #~ "distance" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Outil de dessin\n" #~ "\n" #~ "Clic gauche :\tCliquer et glisser-déposer pour ajouter des atomes et des " #~ "liaisons\n" #~ "Clic droit :\tSupprimer un atome" #~ msgid "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Outil axé sur les étiquettes d'atomes\n" #~ "\n" #~ "Bouton gauche : Cliquez sur les atomes pour ajouter des étiquettes " #~ "personnalisées" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Outil de mesure\n" #~ "\n" #~ "Bouton gauche :\tsélectionner jusqu'à quatre atomes.\n" #~ "\tLes distances sont mesurées entre le 1er et le 2ème et le 2ème et le " #~ "3ème.\n" #~ "\tL'angle est mesuré entre le 1er et le 3ème autour du 2ème.\n" #~ "\tLe dièdre est mesuré entre le 1er, le 2ème, le 3ème et le 4ème.\n" #~ "Bouton droit :\teffacement des mesures." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Outil de navigation\n" #~ "\n" #~ "Bouton gauche :\tcliquer et glisser-déposer pour tourner la vue.\n" #~ "Bouton central :\tcliquer et glisser-déposer pour effectuer un zoom avant " #~ "ou arrière.\n" #~ "Bouton droit :\tcliquer et glisser déposer pour déplacer la vue.\n" #~ msgid "Animation Tool" #~ msgstr "Outil d'animation" #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Outil de sélection\n" #~ "\n" #~ "Bouton gauche :\tcliquer pour sélectionner des atomes, des résidus ou des " #~ "fragments.\n" #~ "\tGlisser-déposer pour sélectionner un ensemble d'atomes.\n" #~ "Bouton droit :\tcliquer dans un espace vide pour annuler la sélection.\n" #~ "Utiliser la touche Ctrl pour inverser la sélection et la touche majuscule " #~ "pour y en ajouter.\n" #~ "Double-clic :\tsélectionner tout un fragment." #~ msgid "" #~ "Template Tool\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "Outil de Templates\n" #~ "\n" #~ "Insérer des fragments, y compris des centres métalliques.\n" #~ "Sélectionnez un élément et la géométrie de coordination, puis cliquez " #~ "pour insérer un fragment.\n" #~ "\n" #~ "Sélectionnez un groupe ligand ou fonctionnel et cliquez sur un atome " #~ "d'hydrogène pour l'attacher." #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals (OA)" #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Outil de manipulation\n" #~ "\n" #~ "Bouton gauche :\tcliquer et glisser-déposer pour déplacer des atomes.\n" #~ "Bouton droit :\tcliquer et glisser-déposer pour effectuer une rotation " #~ "des atomes sélectionnés.\n" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "" #~ "Affichage simple des sphères van der Waals avec une occlusion ambiante." #~ msgid "Geometry" #~ msgstr "Géométrie" #~ msgid "Add Unit Cell" #~ msgstr "Ajouter une maille" #~ msgid "By Atomic Index" #~ msgstr "Par indice d'atome" #~ msgid "By Distance" #~ msgstr "Par distance" #~ msgid "Select Water…" #~ msgstr "Sélectionner d'eau…" #~ msgid "&Copy" #~ msgstr "&Copier" #~ msgid "Molecule Name:" #~ msgstr "Nom de la molécule :" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Masse moléculaire (g/mol) :" #~ msgid "Chemical Formula:" #~ msgstr "Formule chimique :" #~ msgid "Number of Atoms:" #~ msgstr "Nombre d'atomes :" #~ msgid "Number of Bonds:" #~ msgstr "Nombre de liaisons :" #~ msgid "TODO" #~ msgstr "À FAIRE" #~ msgid "Line Size:" #~ msgstr "largeur de ligne :" #~ msgid "Optimize" #~ msgstr "Optimiser" #~ msgid "In." #~ msgstr "In." #~ msgid "El." #~ msgstr "Él." #~ msgid "El.&No." #~ msgstr "Él.&No." #~ msgid ", " #~ msgstr ", " #~ msgid "ABPS Input (*.in)" #~ msgstr "Fichier d'entrée APBS (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "Sélectionnez l'interpréteur Python utilisé pour exécuter les programmes " #~ "de génération des données d'entrées.\n" #~ "Avogadro doit être redémarré pour que les changements prennent effet." #~ msgid "Set Python Path…" #~ msgstr "Définir le chemin d'accès à python…" #~ msgid "Fragment…" #~ msgstr "Fragment…" #, fuzzy #~| msgid "Functional" #~ msgid "Functional Groups" #~ msgstr "Fonctionnel" #~ msgid "Help..." #~ msgstr "Aide..." #~ msgid "Submit Calculation..." #~ msgstr "Soumettre calcul..." #~ msgid "Save File..." #~ msgstr "Enregistrer le fichier..." #~ msgid "Download Plugins..." #~ msgstr "Télécharger des greffons..." #~ msgid "Record Movie..." #~ msgstr "Enregistrer vidéo..." #~ msgid "Other..." #~ msgstr "Autre..." #~ msgid "S&erver" #~ msgstr "S&erveur" #~ msgid "Connection failed" #~ msgstr "Échec de la connexion" #, qt-format #~ msgid "Connection failed with: %1" #~ msgstr "Échec de connexion avec : %1" #, qt-format #~ msgid "clientServer/%1:%2/lastOpenDir" #~ msgstr "clientServer/%1:%2/lastOpenDir" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*.%1" #~ msgid "Client server" #~ msgstr "Client serveur" #~ msgid "Connection refused" #~ msgstr "Refus de la connexion" #~ msgid "Filename" #~ msgstr "Nom du fichier" #~ msgid "Formula" #~ msgstr "Formule" #~ msgid "InChIKey" #~ msgstr "InChIKey" #~ msgid "&MongoChem" #~ msgstr "&MongoChem" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Ouvrir le fichier" #~ msgid "Server settings" #~ msgstr "Préférences du serveur" #~ msgid "&Hostname:" #~ msgstr "&Hôte :" #~ msgid "Port" #~ msgstr "Port" #~ msgid "Test C&onnection..." #~ msgstr "Tester la &connexion..." #~ msgid "Look in:" #~ msgstr "Regarder :" #~ msgid "Navigate Back" #~ msgstr "Naviguer en arrière" #~ msgid "Navigate Forward" #~ msgstr "Naviguer en avant" #~ msgid "File name:" #~ msgstr "Nom de fichier :" #~ msgid "OK" #~ msgstr "OK" #~ msgid "Cancel" #~ msgstr "Annuler" #~ msgid "http://localhost:8080/api/v1" #~ msgstr "http://localhost:8080/api/v1" #~ msgid "API Key:" #~ msgstr "Clé de l'API :" #~ msgid "Base URL:" #~ msgstr "URL de base :" #~ msgid "Config" #~ msgstr "Configuration" #~ msgid "Upload" #~ msgstr "Envoi" #~ msgid "Docker" #~ msgstr "Docker" #~ msgid "Singularity" #~ msgstr "Singularité" #~ msgid "Container:" #~ msgstr "Conteneur :" #~ msgid "Image:" #~ msgstr "Image :" #~ msgid "openchemistry/psi4:latest" #~ msgstr "openchemistry/psi4:latest" #~ msgid "Input Parameters:" #~ msgstr "Paramètres d'entrée :" #~ msgid "Element & Ordinal" #~ msgstr "Élément & Ordinal" #~ msgid "All files (*);;" #~ msgstr "Tous les fichiers (*);;" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Rhomboédrique" #~ msgid "Layer" #~ msgstr "Calque" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molécule" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Pas de molécule définie" #, qt-format #~ msgid "%1: File exists and is not writable." #~ msgstr "%1 : Ce fichier existe déjà et n'est pas inscriptible." #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #~ msgid "Fragment..." #~ msgstr "Fragment..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Cristal..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Ajouter les hydrogènes selon le pH..." #~ msgid "Atom Properties..." #~ msgstr "Propriétés des atomes..." #~ msgid "Bond Properties..." #~ msgstr "Propriétés des liaisons..." #~ msgid "Angle Properties..." #~ msgstr "Propriétés des angles..." #~ msgid "Torsion Properties..." #~ msgstr "Propriétés de torsion..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Propriétés de la molécule..." #~ msgid "Create Surfaces..." #~ msgstr "Générer les surfaces..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Symétrie" #~ msgid "Insert Fragment..." #~ msgstr "Insérer un fragment..." #~ msgid "Theory:" #~ msgstr "Théorie :" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Distance (1->2) : %L1 %2" #~ msgid "Rotatable" #~ msgstr "Tournable" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Conformère %1\n" #~ "Distance %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Conformère %1\n" #~ "Angle %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angle %1" #~ msgid "Angle" #~ msgstr "Angle" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Conformère %1\n" #~ "Dièdre %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Angle de torsion %1" #~ msgid "Torsion" #~ msgstr "Torsion" #~ msgid "Energy (kJ/mol)" #~ msgstr "Énergie (kJ/mol)" #~ msgid "Yes" #~ msgstr "Oui" #~ msgid "No" #~ msgstr "Non" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Éditeur de fichier d'entrée..." #, fuzzy #~ msgid "Import" #~ msgstr "Importer" #~ msgid "Insert SMILES" #~ msgstr "Insérer un SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Insérer un fragment SMILES :" #~ msgid "Insert Crystal" #~ msgstr "Ajouter un cristal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "" #~ "Insérer des fragments moléculaires pour construire de plus grandes " #~ "molécules" #~ msgid "E&xtensions" #~ msgstr "E&xtensions" #~ msgid "Symmetry Properties..." #~ msgstr "Propriétés de symétrie..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimisation de la géométrie" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Optimisation de la géométrie" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Ajouter les hydrogènes" #, fuzzy #~ msgid "Stopped" #~ msgstr "Arrêter" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Surfaces" #~ msgid "Color by Index" #~ msgstr "Colorier selon l'indice" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Colorier selon l'indice (rouge, orange, jaune, vert, bleu, violet)." #~ msgid "Color by Partial Charge" #~ msgstr "Colorier selon la charge partielle" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Colorier selon la charge atomique partielle (bleu = positive, rouge = " #~ "négative)." #~ msgid "Custom Color:" #~ msgstr "Couleur personnalisée :" #~ msgid "Set custom colors for objects" #~ msgstr "Définir les couleurs personnalisées des objets" #~ msgid "Color by Distance" #~ msgstr "Colorier selon la distance" #~ msgid "Color by distance from the first atom." #~ msgstr "Colorier selon la distance au premier atome" #~ msgid "Color by Element" #~ msgstr "Colorier selon l'élément" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Colorier selon l'élément (carbone = gris, oxygène = rouge, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Colorier selon le résidu (type d'amino-acide, hydrophobie, ...)" #~ msgid "SMARTS Pattern:" #~ msgstr "Structure SMARTS :" #~ msgid "Highlight Color:" #~ msgstr "Couleur de sélection :" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Colorier par structure SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "" #~ "Mettre en surbrillance les motifs qui correspondent à une structure " #~ "SMARTS." #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Moteurs" #~ msgid "Axes" #~ msgstr "Axes" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Affiche les axes x, y et z à l'origine" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "" #~ "Affiche les primitives avec des boules (atomes) et des bâtonnets " #~ "(liaisons)." #~ msgid "Dipole" #~ msgstr "Dipôle" #~ msgid "Hydrogen Bond" #~ msgstr "Liaison hydrogène" #~ msgid "Renders hydrogen bonds" #~ msgstr "Affiche les liaisons hydrogène" #~ msgid "Select Atom Labels Color" #~ msgstr "Choisir la couleur des étiquettes des atomes" #~ msgid "Select Bond Labels Color" #~ msgstr "Choisir la couleur des étiquettes des liaisons" #~ msgid "Select Bond Labels Font" #~ msgstr "Choisir la police de caractères des étiquettes des liaisons" #~ msgid "Polygon" #~ msgstr "Polygone" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Affiche les atomes comme tétraèdres, octaèdres, et autres polygones" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Affiche les chaînes protéiques en rubans" #~ msgid "Ring" #~ msgstr "Anneau" #~ msgid "Renders rings with colored planes" #~ msgstr "Affiche les cycles par des plans colorés" #~ msgid "Simple Wireframe" #~ msgstr "Fil de fer" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "" #~ "Affiche des liaisons en fils (lignes), idéal pour de grosses molécules" #~ msgid "Van der Waals Spheres" #~ msgstr "Sphères de van der Waals" #~ msgid "Stick" #~ msgstr "Bâtonnet" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Densité électronique, isosurface = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1,surface iso = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Affiche les liaisons en fil de fer (lignes), idéal pour de très grosses " #~ "(bio)molécules" #~ msgid "Trajectory files" #~ msgstr "Fichiers de trajectoire" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Fichiers de l'historique de DL-POLY" #~ msgid "Open Trajectory File" #~ msgstr "Ouvrir un fichier de trajectoire" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "L'extension .avi sera ajoutée" #~ msgid "Animation..." #~ msgstr "Animation..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Impossible de lire le format du fichier %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "La lecture du fichier de trajectoire %1 a échoué." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Un nom de fichier .avi valide doit être spécifié" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "Le widget GL n'a pas été initialisé correctement pour enregistrer une " #~ "vidéo" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Nom de fichier vidéo invalide. Il doit inclure le nom complet de son " #~ "répertoire." #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Nom de fichier vidéo invalide. Il doit inclure le nom complet de son " #~ "répertoire et son nom, terminé par .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Impossible de déterminer le format à partir du nom de fichier : %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animation des trajectoires, des réactions et des vibrations." #~ msgid "Cartesian Editor" #~ msgstr "Éditeur cartésien" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Aucune maille conventionnelle n'est définie pour la molécule -- " #~ "impossible d'utiliser des coordonnées fractionnaires." #~ msgid "Cartesian Editor..." #~ msgstr "Éditeur cartésien..." #~ msgid "Cartesian editor" #~ msgstr "Éditeur cartésien" #~ msgid "Number of atoms: %1" #~ msgstr "Nombre d'atomes : %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Nombre de liaisons pouvant subir une rotation : %1" #~ msgid "Add constraint" #~ msgstr "Ajouter une contrainte" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Votre molécule doit contenir au moins un atome pour pouvoir ajouter une " #~ "contrainte" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Votre molécule doit contenir au moins deux atomes pour pouvoir ajouter " #~ "une contrainte de liaison" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Votre molécule doit contenir au moins trois atomes pour ajouter une " #~ "contrainte d'angle" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Votre molécule doit contenir au moins quatre atomes pour ajouter une " #~ "contrainte de torsion" #~ msgid "&Crystallography" #~ msgstr "&Cristallographie" #~ msgid "&Reduce" #~ msgstr "&Réduire" #~ msgid "&Length Unit" #~ msgstr "&Unités de longueur" #~ msgid "&Angle Unit" #~ msgstr "&Unités d'angle" #~ msgid "&Coordinate Display" #~ msgstr "&Affichage des coordonnées" #~ msgid "Coordinate &Preservation" #~ msgstr "&Préservation des coordonnées" #~ msgid "&Matrix Display" #~ msgstr "&Affichage de matrice" #~ msgid "Hide &Editors" #~ msgstr "Masquer les &éditeurs" #~ msgid "Show &Editors" #~ msgstr "Afficher les &éditeurs" #~ msgid "Hide &Property Display" #~ msgstr "Masquer l'affichage des &propriétés" #~ msgid "Show &Property Display" #~ msgstr "Afficher les &propriétés" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Type de maille : %1" #~ msgid "Spacegroup: %1" #~ msgstr "Groupe d'espace : %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Volume de maille conventionnelle : %L1%2" #~ msgid "Undefined" #~ msgstr "Indéfini" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triclinique" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoclinique" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Orthorhombique" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Quadratique" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Cubique" #~ msgid "Paste Crystal" #~ msgstr "Coller un cristal" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "La réduction de Nigli a échoué. La maille de la structure proposée " #~ "perturbe l'algorithme de réduction de Nigli. Effectuez une petite " #~ "modification (environ 2 ordres de grandeur plus petite que la tolérance) " #~ "aux paramètres et réessayez." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Impossible de réduire cette maille après 1 000 itérations de l'algorithme " #~ "de réduction. Abandon." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Tourner vers l'&orientation standard" #~ msgid "&Slab..." #~ msgstr "&Lame..." #~ msgid "Perceive Space&group..." #~ msgstr "Détecter le &groupe d'espace..." #~ msgid "Set &Spacegroup..." #~ msgstr "Choisir le groupe d'&espace..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Remplir la maille conventionnelle" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "" #~ "&Remplir la maille conventionnelle en utilisant le groupe d'espace actuel" #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Réduire à &l'unité asymétrique" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "" #~ "Enlever les atomes qui occupent des positions équivalentes (inverse de " #~ "remplir la maille conventionnelle)." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Sy&métriser le cristal" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Réduire la maille (&primitive)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanomètre" #~ msgid "&Picometer" #~ msgstr "&Picomètre" #~ msgid "&Degree" #~ msgstr "&Degré" #~ msgid "&Radian" #~ msgstr "&Radian" #~ msgid "Display &cartesian coordinates" #~ msgstr "Afficher les coordonnées cartésiennes" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "" #~ "Préserver les coordonnées &cartésiennes pendant la modification de la " #~ "maille" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "" #~ "Préserver les coordonnées &fractionnaires pendant la modification de la " #~ "maille" #~ msgid "Display &cartesian matrix" #~ msgstr "Afficher la matrice &cartésienne" #~ msgid "Display &fractional matrix" #~ msgstr "Afficher la matrice &fractionnaire" #~ msgid "Display as &row vectors" #~ msgstr "Afficher en vecteurs &lignes" #~ msgid "Display as &column vectors" #~ msgstr "Afficher en vecteurs &colonnes" #~ msgid "&Crystal View Options..." #~ msgstr "&Options de présentation du cristal..." #~ msgid "" #~ "

      Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

      Cell can be symmetrized into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

      " #~ msgstr "" #~ "Détecter le groupe d'espace %1, symbole de Hall %2, symbole d'Hermann-" #~ "Maugin %3.

      La maille peut être symétrisée en orientation " #~ "conventionnelle si vous le souhaitez. Les fonctions qui utilisent la " #~ "symétrie (p. ex. le générateur de maille étendue) le nécessitent." #~ msgid "Set Spacegroup" #~ msgstr "Choisir le groupe d'espace" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Aucun groupe d'espace n'est sélectionné pour ce document.\n" #~ "\n" #~ "Souhaitez-vous en choisir un maintenant ?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Le groupe d'espace P1 a été détecté -- impossible de symétriser dans ce " #~ "groupe d'espace.\n" #~ "\n" #~ "Souhaitez-vous réessayer avec une tolérance différente ?" #~ msgid "Symmetrize Crystal" #~ msgstr "Symétriser le cristal" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Regrouper les atomes dans la maille" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Réduire à une maille de Niggli" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Choisir la tolérance en unités cartésiennes actuelles :" #~ msgid "Crystallography" #~ msgstr "Cristallographie" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Construire et analyser des structures périodiques." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "Le fichier d'entrée n'est pas formaté dans un\n" #~ "des formats pris en charge suivant :\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "Format VASP\n" #~ msgid "Bad Compostion" #~ msgstr "Mauvaise composition" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "Le champ des identités doit contenir le même nombre d'entrées séparées " #~ "par des espaces que dans la ligne 6 du fichier POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Coordonnées cartésiennes" #~ msgid "Fractional Coordinates" #~ msgstr "Coordonnées fractionnaires" #~ msgid "Set Fractional Coordinates" #~ msgstr "Appliquer des coordonnées fractionnaires" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Matrice de la maille (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Définir la matrice de maille conventionnelle" #~ msgid "Set Unit Cell Params" #~ msgstr "Définir les paramètres de maille conventionnelle" #~ msgid "Working..." #~ msgstr "Traitement..." #~ msgid "Build" #~ msgstr "Générer" #~ msgid "Cut Slab From Crystal" #~ msgstr "Couper une lame dans le cristal" #~ msgid "No GLWidget?" #~ msgstr "Aucun GLWidget ?" #~ msgid "Please select one or more atoms." #~ msgstr "Merci de sélectionner un ou des atomes" #~ msgid "Trajectory..." #~ msgstr "Trajectoire..." #~ msgid "Open chemical file format" #~ msgstr "Ouvrir un fichier au format de chimie" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Fichiers de chimie (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Ouvrir un fichier de paramètres" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Fichiers de chimie (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importer une trajectoire" #~ msgid "Import trajectory files" #~ msgstr "Importer les fichiers de trajectoire" #~ msgid "Calculate Energy" #~ msgstr "Calculer l'énergie" #~ msgid "Conformer Search..." #~ msgstr "Recherche de conformères..." #~ msgid "Constraints..." #~ msgstr "Contraintes..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Échec de la configuration du champ de force pour cette molécule. Basculer " #~ "en UFF." #~ msgid "Geometric Optimization" #~ msgstr "Optimisation géométrique" #~ msgid "Systematic Rotor Search" #~ msgstr "Recherche systématique de rotor" #~ msgid "Random Rotor Search" #~ msgstr "Recherche aléatoire de rotor" #~ msgid "Weighted Rotor Search" #~ msgstr "Recherche pondérée de rotor" #~ msgid "Genetic Algorithm Search" #~ msgstr "Algorithme de recherche génétique" #~ msgid "ForceField" #~ msgstr "Champ de force" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimiser la géométrie moléculaire et générer les conformères à l'aide " #~ "des champs de force de la mécanique moléculaire" #~ msgid "&Vector Graphics..." #~ msgstr "&Graphismes vectoriels..." #~ msgid "Common vector image formats" #~ msgstr "Format d'image vectorielle usuel" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Exportation des graphismes vectoriels" #~ msgid "Change H to Methyl" #~ msgstr "Changer H en Méthyl" #~ msgid "H to Methyl" #~ msgstr "Changer H en Méthyl" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transformer les hydrogènes en méthyles" #~ msgid "Add or remove hydrogens" #~ msgstr "Ajouter ou enlever les hydrogènes" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Insérer une chaîne d'ADN/ARN" #~ msgid "Peptide..." #~ msgstr "Peptides..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Insérer des séquences d'oligopeptide" #~ msgid "Invert Chirality" #~ msgstr "Inverser la chiralité" #~ msgid "InvertChiral" #~ msgstr "InverseChiral" #~ msgid "Invert chiral centers" #~ msgstr "Inverser les centres chiraux" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "inconnu" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Moment dipolaire estimé (D) :" #~ msgid "Display standard molecular properties." #~ msgstr "Afficher les propriétés moléculaires standards." #~ msgid "Fetch by chemical name..." #~ msgstr "Télécharger par nom chimique..." #~ msgid "Fetch from URL..." #~ msgstr "Récupération depuis l'URL..." #~ msgid "PDB Entry" #~ msgstr "Entrée PDB" #~ msgid "PDB entry to download." #~ msgstr "Entrée PDB à télécharger" #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL de la molécule à télécharger." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "La molécule spécifiée n'a pas pu être chargée : %1" #~ msgid "Network Fetch" #~ msgstr "Recherche réseau" #~ msgid "Fetch molecule files over the network." #~ msgstr "Rechercher les fichiers de molécule sur le réseau" #~ msgid "OrcaExtension Warning" #~ msgstr "Avertissement de l'extension Orca" #~ msgid "OrcaExtension" #~ msgstr "Extension Orca" #~ msgid " No vibration data found!" #~ msgstr " Aucune donnée vibrationnelle n'a été trouvée !" #~ msgid " No vibration data found or molecule changed outside Orca Plugin!" #~ msgstr "" #~ " Aucune donnée vibrationnelle n'a été trouvée ou la molécule a été " #~ "modifiée hors du greffon Orca !" #~ msgid "Selected displacement data don't fit to the actual molecule!" #~ msgstr "" #~ "Les données de déplacement sélectionnées ne correspondent pas à la " #~ "molécule actuelle !" #~ msgid "extended Geometry File" #~ msgstr "Fichier de géométrie étendue" #~ msgid "Read Orca Outputfile" #~ msgstr "Lire le fichier de résultat d'Orca" #~ msgid "no file found" #~ msgstr "Aucun fichier n'a été trouvé" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Quelque chose ne va pas dans le fichier de structure" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "" #~ "Quelque chose ne va pas dans le fichier structure-mailles conventionnelles" #~ msgid "Something is wrong in the IR output! " #~ msgstr "Quelque chose ne va pas dans le fichier de sortie IR ! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "Quelque chose ne va pas dans le fichier de sortie raman ! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "" #~ "Quelque chose ne va pas dans le fichier de sortie d'énergie des " #~ "orbitales ! " #~ msgid "No geometry found in file!" #~ msgstr "Aucun fichier de géométrie n' été trouvé !" #~ msgid "" #~ "Molecule of the file does not fit the actual molecule structure! \n" #~ " Would you like to override the actual molecule?" #~ msgstr "" #~ "La molécule du fichier ne correspond pas à la structure actuelle de la " #~ "molécule ! \n" #~ " Souhaitez-vous remplacer la molécule actuelle ?" #~ msgid "Could not read file!" #~ msgstr "Impossible de lire le fichier !" #~ msgid "Analyse Orca Output..." #~ msgstr "Analyser le fichier de résultat d'Orca..." #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "Orca Test Example" #~ msgstr "Exemple test d'Orca" #~ msgid "Provides a dialog box with the words \"H...\"." #~ msgstr "Fournit une boîte de dialogue avec les mots « H... »." #~ msgid "ORCA Input Deck" #~ msgstr "Données d'entrée d'Orca" #~ msgid "Show Preview" #~ msgstr "Afficher l'aperçu" #~ msgid "Hide Preview" #~ msgstr "Masquer l'aperçu" #~ msgid "RijCosX option not available for the selected DFT functional!" #~ msgstr "" #~ "L'option RijCosX n'est pas disponible pour la fonctionnelle sélectionnée !" #~ msgid "" #~ "RijCosX not available for the selected DFT functional! \n" #~ "RijCosX option reset!" #~ msgstr "" #~ "RijCosX n'est pas disponible pour la fonctionnelle sélectionnée ! \n" #~ "Réinitialisation de l'option RijCosX !" #~ msgid "" #~ "Unsaved changes are made in the actual preview text! \n" #~ " Generating a new preview will lose all changes! \n" #~ " Would you like to override them anyway?" #~ msgstr "" #~ "Des modifications non sauvegardées ont été effectuées dans la " #~ "prévisualisation actuelle ! \n" #~ " La génération d'une nouvelle prévisualisation entraînera leur " #~ "suppression ! \n" #~ " Souhaitez-vous passer outre ?" #~ msgid "Intensities" #~ msgstr "Intensités" #~ msgid " OrcaSpectra::No vibration data found!" #~ msgstr " OrcaSpectra::aucune donnée vibrationnelle n' été trouvée !" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Enregistrer l'image POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Fichier d'images (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Aucun nom de fichier valide n'est fourni." #~ msgid "Does not compute." #~ msgstr "Erreur de calcul." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Vous n'avez pas demandé de rendu direct avec POV-Ray, ni enregistré le " #~ "fichier POV-Ray. Êtes-vous certain de vouloir poursuivre ?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Impossible d'enregistrer le fichier %1. Avez-vous les permissions " #~ "d'écriture à cet endroit ?" #~ msgid "POV-Ray failed to start." #~ msgstr "Erreur de lancement de POV-Ray." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray ne se lance pas. Il y a peut-être une erreur dans le chemin de " #~ "l'exécutable." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Générer les fichiers POV-Ray et les afficher en utilisant la ligne de " #~ "commande du programme POV-Ray." #~ msgid "Conformer Properties..." #~ msgstr "Propriétés des conformères..." #~ msgid "Python Terminal" #~ msgstr "Terminal Python" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Terminal de script python interactif" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Avertissement de générateur de fichier de données Abinit" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Souhaitez-vous mettre à jour le texte pré-visualisé, en perdant les " #~ "modifications apportées dans le panneau de pré-visualisation du " #~ "générateur de fichier d'entrée de Abinit ?" #~ msgid "Abinit_Input_Deck" #~ msgstr "Fichier_de_données_Abinit" #~ msgid "Abinit Running." #~ msgstr "Calcul Abinit en cours" #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Abinit est en cours d'exécution. Veuillez attendre que le calcul " #~ "précédent soit terminé." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit n'est pas installé." #~ msgid "The abinit executable cannot be found." #~ msgstr "Impossible de trouver l'exécutable abinit." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "" #~ "abinit n'a pas démarré. Il n'est peut-être pas correctement installé." #~ msgid "Running Abinit calculation..." #~ msgstr "Calcul Abinit en cours..." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit ne s'est pas exécuté correctement. Il n'est peut-être pas " #~ "correctement installé." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Avertissement du générateur de fichier de données Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Souhaitez-vous mettre à jour le texte pré-visualisé, en perdant les " #~ "modifications apportées dans le panneau de pré-visualisation du " #~ "générateur de fichier d'entrée de Dalton ?" #~ msgid "QM Matches" #~ msgstr "Résultats MQ" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Sélection PEF..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Sélection MQ..." #~ msgid "Delete" #~ msgstr "Supprimer" #~ msgid "You must make a selection!" #~ msgstr "Vous devez effectuer une sélection !" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Conversion SMILES non disponible" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Conversion de format SMILES non disponible !" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "pfe" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Créer les fichiers d'entrée pour GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Paramètres avancés modifiés" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Les paramètres avancés ont changé.\n" #~ "Réinitialiser ?" #~ msgid "Advanced Settings Reset" #~ msgstr "Réinitialiser les paramètes avancés" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Êtes-vous sûr de vouloir réinitialiser les paramètres avancés ?\n" #~ "Tous les changements seront perdus !" #~ msgid "Basic Settings Reset" #~ msgstr "Réinitialiser les paramètes élémentaires" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Êtes-vous sûr de vouloir réinitialiser les paramètres élémentaires ?\n" #~ "Tous les changements seront perdus !" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Avertissement du générateur de fichier de données de GAMESS-UK" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Souhaitez-vous mettre à jour le texte pré-visualisé, en perdant les " #~ "modifications apportées dans le panneau de pré-visualisation du " #~ "générateur de fichier de données de GAMESS-UK ?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Fichier de données GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Avertissement du générateur de fichier de données Gaussian" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Souhaitez-vous mettre à jour le texte pré-visualisé, en perdant les " #~ "modifications apportées dans le panneau de pré-visualisation du " #~ "générateur de fichier d'entrée de Gaussian ?" #~ msgid "Gaussian Input Deck" #~ msgstr "Fichier de données Gaussian" #~ msgid "Gaussian Running." #~ msgstr "Calcul Gaussian en cours." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Un calcul Gaussian est déjà en cours. Attendez que le calcul précédent " #~ "soit terminé." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian n'est pas installé." #~ msgid "The G03 executable, cannot be found." #~ msgstr "L'exécutable GO3 n'a pas été trouvé." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 n'a pas démarré. Il n'est peut être pas correctement installé." #~ msgid "Running Gaussian calculation..." #~ msgstr "Calcul Gaussian en cours..." #~ msgid "G03 Crashed." #~ msgstr "G03 s'est planté." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian n'a pas fonctionné correctement. Il n'est peut être pas " #~ "correctement installé." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWCHEM..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "Avertissement du générateur de fichier de données Lammps" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Avertissement du générateur de fichier de données Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Souhaitez-vous mettre à jour le texte pré-visualisé, en perdant les " #~ "modifications apportées dans le panneau de pré-visualisation du " #~ "générateur de fichier d'entrée de Molpro" #~ msgid "Molpro Input Deck" #~ msgstr "Fichier de données Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Avertissement du générateur de fichier de données MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Fichier de données MOPAC" #~ msgid "MOPAC Running." #~ msgstr "Calcul MOPAC en cours." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "Il y a déjà un calcul MOPAC en cours. Attendez que le calcul précédent " #~ "soit terminé." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC n'est pas installé." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Impossible de trouver l'exécutable de MOPAC." #~ msgid "MOPAC failed to start." #~ msgstr "MOPAC ne démarre pas." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC n'a pas démarré. Il est peut-être mal installé." #~ msgid "Running MOPAC calculation..." #~ msgstr "Calcul MOPAC en cours..." #~ msgid "MOPAC Crashed." #~ msgstr "Plantage de MOPAC." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC n'a pas fonctionné correctement. Il n'est peut-être pas " #~ "correctement installé." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Avertissement du générateur de fichier de données NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Souhaitez-vous mettre à jour le texte pré-visualisé, en perdant les " #~ "modifications apportées dans le panneau de pré-visualisation du " #~ "générateur de fichier d'entrée de NWChem ?" #~ msgid "NWChem Input Deck" #~ msgstr "Fichier de données NWChem" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Avertissement du générateur de fichier de données Psi4" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Souhaitez-vous mettre à jour le texte pré-visualisé, en perdant tous les " #~ "changements apportés dans le panneau de pré-visualisation de Psi4 ?" #~ msgid "Psi4 Input Deck" #~ msgstr "Fichier de données Psi4" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Avertissement du générateur de fichier de données Q-Chem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Souhaitez-vous mettre à jour le texte pré-visualisé, en perdant les " #~ "modifications apportées dans le panneau de pré-visualisation du " #~ "générateur de fichier d'entrée de Q-Chem ?" #~ msgid "QChem Input Deck" #~ msgstr "Fichier de données Q-Chem" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "Avertissement du générateur de fichier de données de TeraChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Souhaitez-vous mettre à jour le texte pré-visualisé, en perdant les " #~ "modifications apportées dans le panneau de pré-visualisation du " #~ "générateur de fichier de données de TeraChem ?" #~ msgid "TeraChem Input Deck" #~ msgstr "Fichier de données TeraChem" #~ msgid "Select SMARTS..." #~ msgstr "Sélectionner SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Ajouter une sélection nommée..." #~ msgid "SMARTS Selection" #~ msgstr "Sélection SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Motif SMARTS à sélectionner" #~ msgid "There is no current selection." #~ msgstr "Il n'y actuellement aucune sélection." #~ msgid "Add Named Selection" #~ msgstr "Ajouter une sélection nommée" #~ msgid "Name cannot be empty." #~ msgstr "Le nom ne peut pas être laisser vide." #~ msgid "There is already a selection with this name." #~ msgstr "Il y a une sélection qui porte le même nom." #~ msgid "Selections" #~ msgstr "Sélections" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Sélection d'atome, liaisons, résidus..." #~ msgid "GLSL Shaders..." #~ msgstr "Textures GLSL..." #~ msgid "Open a vertex shader source file" #~ msgstr "Ouvrir un fichier source de texture vertex" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Fichiers d'ombrage de sommet (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Ouvrir un fichier souce d'ombrage de fragment" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fichiers d'ombrage de fragment (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Ouvrir un fichier de paramètres d'ombrage" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Fichiers de paramètres d'ombrage (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "Ombrages GLSL" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Charger et utiliser les ombrages GLSL OpenGL2.0" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensité (unités arb.)" #~ msgid "Density of States (states/cell)" #~ msgstr "Densité d'états (états/maille)" #~ msgid "Density of States (states/atom)" #~ msgstr "Densité d'états (états/atome)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Densité d'états (états/électron de valence)" #~ msgid "Transmittance (%)" #~ msgstr "Transmittance (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbance (%)" #~ msgid "No intensities" #~ msgstr "Aucune intensité" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Les données vibrationelles de la molécule que vous avez lue ne " #~ "contiennent pas de données d'intensité. Les intensités ont été mises à " #~ "une valeur arbitraite pour leur visualisation." #~ msgid "Activity" #~ msgstr "Activité" #~ msgid "X Axis" #~ msgstr "Axe X" #~ msgid "Y Axis" #~ msgstr "Axe Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "&Paramètres du spectre infrarouge" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "RMN" #~ msgid "&NMR Spectra Settings" #~ msgstr "&Paramètres des spectres RMN" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DEE" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "&UV Settings" #~ msgstr "&Paramètres UV" #~ msgid "&CD Settings" #~ msgstr "&Paramètres DC" #~ msgid "&Raman Settings" #~ msgstr "&Paramètres Raman" #~ msgid "No data" #~ msgstr "Aucune donnée" #~ msgid "Dark" #~ msgstr "Sombre" #~ msgid "Publication" #~ msgstr "Publication" #~ msgid "Handdrawn" #~ msgstr "Dessiné à main levée" #~ msgid "New Scheme" #~ msgstr "Nouveau projet" #~ msgid "Confirm Scheme Removal" #~ msgstr "Confirmer le retrait du projet" #~ msgid "Really remove current scheme?" #~ msgstr "Réellement détruire le projet actuel ?" #~ msgid "Change Scheme Name" #~ msgstr "Modifier le nom du projet" #~ msgid "Enter new name for current scheme:" #~ msgstr "Saisissez le nouveau nom du projet :" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Valeurs séparées par des tabulations (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Valeurs séparées par des tabulations" #~ msgid "Comma Separated Values" #~ msgstr "Valeurs séparées par des virgules" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Importation de spectres" #~ msgid "Unknown extension: %1" #~ msgstr "Extension inconnue : %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "Données IR PWscf (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Données IR Turbomole (contrôle)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Données UV de Turbomole (spectre)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Données DC de Turbomole (spectredc)" #~ msgid "Data Format" #~ msgstr "Format des données" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format :" #~ msgid "Load Spectral Data" #~ msgstr "Lire les données spectrales" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Le fichier DC de Trubomole n'est pas correctement formaté : %1" #~ msgid "Portable Network Graphics" #~ msgstr "png" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "tiff" #~ msgid "Windows Bitmap" #~ msgstr "bmp" #~ msgid "Portable Pixmap" #~ msgstr "ppm" #~ msgid "X11 Bitmap" #~ msgstr "xbm" #~ msgid "X11 Pixmap" #~ msgstr "xpm" #~ msgid "Save Spectra Image" #~ msgstr "Enregistrer le spectre" #~ msgid "Image successfully written to %1" #~ msgstr "L'image a été enregistrée avec succès dans %1" #~ msgid "&Advanced <<" #~ msgstr "&Avancés >>" #~ msgid "&Advanced >>" #~ msgstr "&Avancés >>" #~ msgid "&Spectra..." #~ msgstr "&Spectres..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Visualiser les données spectrales de calculs de chimie quantique" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Analyse vibrationnelle" #~ msgid "No vibrational displacements exist." #~ msgstr "Aucun déplacement de fréquence n'existe." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Visualiser les fréquences pour les calculs de chimie quantique" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Trie de %1 vibrations par fréquences..." #~ msgid "Pause" #~ msgstr "Suspendre" #~ msgid "Super Cell Builder..." #~ msgstr "Générateur de maille étendue..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Ce document contient une molécule isolée. Vous devez créer une maille " #~ "conventionnelle." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Construire et afficher des mailles cristallographiques étendues" #~ msgid "Molecular Orbitals..." #~ msgstr "Orbitales moléculaires..." #~ msgid "Orbitals" #~ msgstr "Orbitales" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Vide" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Densité électronique" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Erreur - type non défini" #~ msgid "Calculating VdW Cube" #~ msgstr "Calcul d'un cube WdW en cours" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Calcul de l'OM %L1 en cours" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "" #~ "Les surfaces de potentiel électrostatique ne sont pas encore prises en " #~ "charge." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Calculer les orbitales moléculaires et d'autres surfces" #~ msgid "&Nanotube Builder..." #~ msgstr "&Générateur de nanotube..." #~ msgid "Nanotube Builder" #~ msgstr "Générateur de nanotube" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Spécification de nanotube invalide" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "Le nanotube demandé ne peut pas être construit pour la raison suivante ;\n" #~ "Soit n, soit m doit être plus grand que 1." #~ msgid "Insert Nanotube" #~ msgstr "Insérer un nanotube" #~ msgid "SWCNT Builder" #~ msgstr "Générateur SWCNT" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Construire des nanotubes à simple paroi." #~ msgid "Building..." #~ msgstr "Génération..." #~ msgid "Display point group symmetry." #~ msgstr "Afficher la symétrie du groupe ponctuel." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "Le widget GL n'est pas correctement initialisé pour permettre la " #~ "réalisation d'une vidéo" #~ msgid "GL widget has no molecule" #~ msgstr "Le widget GL ne contient pas de molécule" #~ msgid "Building video " #~ msgstr "Génération de la vidéo " #~ msgid "Could not run mencoder." #~ msgstr "Impossible de lancer memcoder" #~ msgid "Set Aspect Ratio" #~ msgstr "Choisir le rapport largeur/hauteur" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "La vue courante d'Avogadro mesure %1x%2 pixels, et a donc un rapport " #~ "largeur/hauteur égal à %3.\n" #~ "Vous pouvez conserver cette valeur, par exemple si vous voulez utiliser " #~ "POV-Ray\n" #~ "pour produire une image de %4x1000 pixels, ou bien vous pouvez entrer " #~ "toute autre valeur positive,\n" #~ "par exemple 1 si vous voulez utiliser POV-Ray pour produire une image " #~ "carrée, par exemple de 1000x1000 pixels." #~ msgid "Save VRML rendered files" #~ msgstr "Enregistrer les fichiers de rendu VRML" #~ msgid "VRML..." #~ msgstr "VRML..." #~ msgid "Connect" #~ msgstr "Connecter" #~ msgid "Disconnect" #~ msgstr "Déconnecter" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Suivi Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Suivre les mouvements à l'aide de la télécommande Wii" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Contexte OpenGL invalide.\n" #~ "Soit quelque chose ne va pas du tout dans votre configuration OpenGL " #~ "(pouvez-vous exécuter n'importe quelle application OpenGL ?), soit vous " #~ "avez trouvé un bogue." #~ msgid "Debug Information" #~ msgstr "Informations de débogage" #~ msgid "FPS: %L1" #~ msgstr "FPS : %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Taille de la vue : %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "Ligne 1 de ModelView : %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "Ligne 2 de ModelView : %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "Ligne 3 de ModelView : %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "Ligne 4 de ModelView : %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Atomes : %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMOL : indice %1 hors d'atteinte." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "La lecture de fichier du type « %1 » n'est pas prise en charge." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "La lecture de fichier du type « %1  n'est pas prise en charge." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "La lecture de la molécule d'indice %1 du fichier « %2 » a échoué." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "Remplacer la molécule : l'indice %1 est hors d'atteinte" #~ msgid "File type '%1' is not supported for writing." #~ msgstr "L'écriture de fichier de type « %1 » n'est pas prise en charge." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "L'écriture de fichier de type « %1 » n'est pas prise en charge." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Impossible d'ouvrir le fichier « %1 » en lecture." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "" #~ "Le remplacement de la molécule d'indice %1 dans le fichier « %2 » a " #~ "échoué." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Le fichier %1 ne peut pas être ouvert en lecture." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Le fichier %1 n'a pas pu être ouvert en écriture." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "L'enregistrement du fichier moléculaire a échoué - impossible de renommer " #~ "le fichier original." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "L'enregistrement du fichier moléculaire a échoué - impossible de renommer " #~ "le fichier original." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "L'enregistrement du fichier moléculaire a échoué - impossible de détruire " #~ "l'ancien fichier." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "L'enregistrement d'une molécule dans le fichier « %1 » a échoué. Erreur " #~ "d'une fonction d'OpenBabel." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Le fichier %1 ne peut pas être ouvert en écriture." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "L'enregistrement des conformères dans le fichier « %1 » a échoué." #~ msgid "Molecule %1" #~ msgstr "Molécule %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Moteur Python inconnu" #~ msgid "N/A" #~ msgstr "N/D" #~ msgid "PythonEngine: checking " #~ msgstr "Moteur Python : vérification " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - aucune classe « Moteur » n'est définie pour le script" #~ msgid " - no module" #~ msgstr " - pas de module" #~ msgid "Unknown Python Extension" #~ msgstr "Extension Python inconnue" #~ msgid "PythonExtension: checking " #~ msgstr "Extension Python : vérification " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - aucune classe « Extension » n'est définie pour le script" #~ msgid "Unknown Python Tool" #~ msgstr "Outil Python inconnu" #~ msgid "PythonTool: checking " #~ msgstr "Outil Python : vérification " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " -aucune classe « Outil » n'est définie pour le script" #~ msgid "Conformer %1" #~ msgstr "Conformère %1" #~ msgid "Tools" #~ msgstr "Outils" #~ msgid "Align:" #~ msgstr "Aligner :" #~ msgid "Everything" #~ msgstr "Tout" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Outil d'optimisation automatique\n" #~ "\n" #~ "Fonction de navigation lors d'un clic dans un espace vide.\n" #~ "Bouton gauche :\trotation\n" #~ "Bouton central :\tzoom\n" #~ "Bouton droit :\ttranslation\n" #~ "Double clic :\tréinitialisation\n" #~ "\n" #~ "Lors d'un glissement :\n" #~ "Bouton gauche :\tCliquer sur les atomes et glisser-déposer pour les " #~ "déplacer" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "Auto-optimisation : impossible de configurer le champ de force...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt : E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Nombre de contraintes : %1" #~ msgid "Steps per Update:" #~ msgstr "Nombre d'étapes avant d'actualiser :" #~ msgid "Algorithm:" #~ msgstr "Algorithme :" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Dynamique moléculaire (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dynamique moléculaire (900K)" #~ msgid "Start" #~ msgstr "Commencer" #~ msgid "Fixed atoms are movable" #~ msgstr "Les atomes fixés sont déplaçables" #~ msgid "Ignored atoms are movable" #~ msgstr "Les atomes ignorés sont déplaçables" #~ msgid "AutoOpt Molecule" #~ msgstr "Auto-optimiser molécule" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Optimisation automatique de la géométrie moléculaire" #~ msgid "AutoOptimization Settings" #~ msgstr "Paramètres d'optimisation automatique" #~ msgid "Auto Rotation Tool" #~ msgstr "Outil de rotation automatique" #~ msgid "x rotation:" #~ msgstr "rotation x :" #~ msgid "x rotation" #~ msgstr "rotation x" #~ msgid "y rotation:" #~ msgstr "rotation y :" #~ msgid "y rotation" #~ msgstr "rotation y" #~ msgid "z rotation:" #~ msgstr "rotation z :" #~ msgid "z rotation" #~ msgstr "rotation z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Rotation automatique de molécules" #~ msgid "AutoRotate Settings" #~ msgstr "Paramètres de rotation automatique" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Longueur de liaison : %L1" #~ msgid " Show Angles" #~ msgstr " Afficher les angles" #~ msgid "Snap-to Threshold: " #~ msgstr "Seuil d'ajustement : " #~ msgid "Bond Centric Manipulate" #~ msgstr "Manipulation des liaisons" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "" #~ "Manipulation des distances de liaison, des angles et des angles de torsion" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Paramètres de manipulation centrée sur les liaisons" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distance (2->3) : %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distance (3->4) : %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Angle dièdre : %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distance(s) :" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Mesurer des distances de liaison, des angles et des angles dièdres" #~ msgid "Draw Bond" #~ msgstr "Dessiner une liaison" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Dessiner et éditer des atomes et des liaisons" #~ msgid "Draw Settings" #~ msgstr "Paramètres de dessin" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Déplacer, tourner et ajuster des atomes et des fragments" #~ msgid "Manipulate Settings" #~ msgstr "Paramètres de manipulation" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Déplacer, tourner et zoomer la vue actuelle" #~ msgid "Navigate Settings" #~ msgstr "Paramètres de navigation" #~ msgid "Selection Mode:" #~ msgstr "Mode de sélection :" #~ msgid "Atom/Bond" #~ msgstr "Atome/Liaison" #~ msgid "Residue" #~ msgstr "Résidu" #~ msgid "Add Center of Atoms" #~ msgstr "Ajouter le centroïde" #~ msgid "Change color of the atom" #~ msgstr "Modifier la couleur de l'atome" #~ msgid "Change label of the atom" #~ msgstr "Modifier l'étiquette de l'atome" #~ msgid "Change label of the bond" #~ msgstr "Modifier l'étiquette de la liaison" #~ msgid "Change radius of the atom" #~ msgstr "Modifier le rayon de l'atome" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Nouveau rayon, %1 :" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Sélectionner des atomes, des résidus et des molécules" #~ msgid "Symbol" #~ msgstr "Symbole" #~ msgid "Bond Length" #~ msgstr "Longueur de la liaison" #~ msgid "Dihedral Angle" #~ msgstr "Angle dièdre" #~ msgid "Z Matrix Editor..." #~ msgstr "Éditeur de matrice Z..." #~ msgid "Z-Matrix" #~ msgstr "Matrice Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Créer/éditer une matrice Z" #~ msgid "Z-Matrix Settings" #~ msgstr "Paramètres de matrice Z" #~ msgid "Color residues by:" #~ msgstr "Colorer les résidus selon :" #~ msgid "Amino Colors" #~ msgstr "Couleurs des acides aminés" #~ msgid "Hydrophobicity" #~ msgstr "Hydrophobie" #~ msgid "Axes:" #~ msgstr "Axes :" #~ msgid "Cartesian Axes" #~ msgstr "Axes cartésiens" #~ msgid "Orthogonal Axes" #~ msgstr "Axes orthogonaux" #~ msgid "Axis 1:" #~ msgstr "Axe 1 :" #~ msgid "Axis 2:" #~ msgstr "Axe 2 :" #~ msgid "Axis 3:" #~ msgstr "Axe 3 :" #~ msgid "Origin:" #~ msgstr "Origine :" #~ msgid "Norm" #~ msgstr "Norme" #~ msgid "Preserve vector norms" #~ msgstr "Préserver la norme des vecteurs" #~ msgid "Atom Radius:" #~ msgstr "Rayons de l'atome :" #~ msgid "Bond Radius:" #~ msgstr "Rayon de la liaison :" #~ msgid "Shape" #~ msgstr "Forme" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Boucle" #~ msgid "Dipole:" #~ msgstr "Dipôle :" #~ msgid "Custom Vector" #~ msgstr "Vecteur personnalisé" #~ msgid "Custom:" #~ msgstr "Personnaliser :" #~ msgid "Width:" #~ msgstr "Largeur :" #~ msgid "Cut-off radius:" #~ msgstr "Rayon de coupe :" #~ msgid "Cut-off angle:" #~ msgstr "Angle de coupe :" #~ msgid "Rendering Engine:" #~ msgstr "Moteur de rendu :" #~ msgid "TextRenderer" #~ msgstr "Rendu textuel" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Texte :" #~ msgid "Symbol & Number in Group" #~ msgstr "Symbole et numéro dans le groupe" #~ msgid "Symbol & Atom number" #~ msgstr "Symbole & numéro d'atome" #~ msgid "Partial charge" #~ msgstr "Charge partielle" #~ msgid "Residue number" #~ msgstr "Numéro du résidu" #~ msgid "Custom data" #~ msgstr "Données personnalisées" #~ msgid "Change Font" #~ msgstr "Modifier la police de caractères" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Décalage des étiquettes :" #~ msgid "Bond length" #~ msgstr "Longueur de la liaison" #~ msgid "Bond number" #~ msgstr "Numéro de liaison" #~ msgid "Bond order" #~ msgstr "Multiplicité de la liaison" #~ msgid "Lines" #~ msgstr "Lignes" #~ msgid "Radius:" #~ msgstr "Rayon :" #~ msgid "Include Nitrogens" #~ msgstr "Inclure les azotes" #~ msgid "VdW Opacity:" #~ msgstr "Opacité VdW :" #~ msgid "Orbital:" #~ msgstr "Orbitale :" #~ msgid "Render:" #~ msgstr "Rendu :" #~ msgid "Fill" #~ msgstr "Remplissage" #~ msgid "Points" #~ msgstr "Points" #~ msgid "Draw Box:" #~ msgstr "Boîte de dessin :" #~ msgid "Style:" #~ msgstr "Style :" #~ msgid "Mapped Colors" #~ msgstr "Mappage de couleurs" #~ msgid "Positive" #~ msgstr "Positif" #~ msgid "Negative" #~ msgstr "Négatif" #~ msgid "Show Atoms" #~ msgstr "Afficher les atomes" #~ msgid "Animate Trajectory" #~ msgstr "Trajectoire d'animation" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Boucle" #~ msgid "Save as .avi..." #~ msgstr "Enregistrer en .avi..." #~ msgid "Angstroms" #~ msgstr "Angstroms" #~ msgid "Bohrs" #~ msgstr "Bohrs" #~ msgid "Fractional" #~ msgstr "Fractionnaire" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, uniquement coordonnées" #~ msgid "GAMESS Input #2" #~ msgstr "Entrée GAMESS #2" #~ msgid "Priroda Input" #~ msgstr "Entrée Priroda" #~ msgid "Apply Changes" #~ msgstr "Appliquer les modifications" #~ msgid "Cut All" #~ msgstr "Tout couper" #~ msgid "Paste to the End" #~ msgstr "Coller à la fin" #~ msgid "" #~ "\n" #~ "\n" #~ "

      Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

      " #~ msgstr "" #~ "\n" #~ "\n" #~ "

      Coller ou éditer ici " #~ "des coordonnées atomiques. Vous pouvez coller presque n'importe quel " #~ "portion de texte contenant des coordonnées.

      " #~ msgid "(None)" #~ msgstr "(Aucun)" #~ msgid "Sort by " #~ msgstr "Trier selon " #~ msgid "Number of atoms:" #~ msgstr "Nombre d'atomes :" #~ msgid "Number of rotatable bonds:" #~ msgstr "Nombre de liaisons pouvant subir une rotation :" #~ msgid "Add Constraints" #~ msgstr "Ajouter des contraintes" #~ msgid "Ignore Atom" #~ msgstr "Ignorer l'atome" #~ msgid "Fix Atom" #~ msgstr "Fixer l'atome" #~ msgid "Fix Atom X" #~ msgstr "Fixer l'atome X" #~ msgid "Fix Atom Y" #~ msgstr "Fixer l'atome Y" #~ msgid "Fix Atom Z" #~ msgstr "Fixer l'atome Z" #~ msgid "Torsion angle" #~ msgstr "Angle de torsion" #~ msgid "Add" #~ msgstr "Ajouter" #~ msgid "Save" #~ msgstr "Enregistrer" #~ msgid "Load" #~ msgstr "Ouvrir" #~ msgid "Atomic &identites:" #~ msgstr "&Identités atomiques :" #~ msgid "Surface Slab Builder" #~ msgstr "Générateur de couche superficielle" #~ msgid "Plane:" #~ msgstr "Plan :" #~ msgid "&Miller Indices:" #~ msgstr "&Indices de Miller" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Attention : utiliser des indices de Miller diiférents de zéro" #~ msgid "Width (x)" #~ msgstr "Largeur (x)" #~ msgid "Width (y)" #~ msgstr "Largeur (y)" #~ msgid "Height (z)" #~ msgstr "Hauteur (z)" #~ msgid "length" #~ msgstr "longueur" #~ msgid "cell repeats" #~ msgstr "Répétitions de la maille" #~ msgid "&Translate " #~ msgstr "&Déplacer " #~ msgid "by arbitrary vector" #~ msgstr "selon un vecteur arbitraire" #~ msgid "selected atom to unit cell center" #~ msgstr "L'atome sélectionné au centre de la maille conventionnelle" #~ msgid "Translation vector:" #~ msgstr "Vecteur de translation :" #~ msgid "&X:" #~ msgstr "&X :" #~ msgid "&Y:" #~ msgstr "&Y :" #~ msgid "&Z:" #~ msgstr "&Z :" #~ msgid "&Vector units:" #~ msgstr "&Unités du vecteur :" #~ msgid "Cartesian" #~ msgstr "Cartésien" #~ msgid "&Translate" #~ msgstr "&Déplacer" #~ msgid "Crystal View Options" #~ msgstr "Options de présentation du cristal" #~ msgid "Unit Cell Repeats:" #~ msgstr "Répétitions de la maille conventionnelle :" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Dessiner la(les) maille(s) conventionnelle(s) ?" #~ msgid "One" #~ msgstr "Une" #~ msgid "All" #~ msgstr "Tout" #~ msgid "Color..." #~ msgstr "Couleur..." #~ msgid "View Along:" #~ msgstr "Voir le long de :" #~ msgid "Default View" #~ msgstr "Vue par défaut" #~ msgid "h: " #~ msgstr "h : " #~ msgid "k: " #~ msgstr "k : " #~ msgid "i: " #~ msgstr "i : " #~ msgid "l: " #~ msgstr "l : " #~ msgid "Miller Indices" #~ msgstr "Indices de Miller" #~ msgid "File Import..." #~ msgstr "Importation de fichier..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Tenter d'interpréter les ordres de liaison ?" #~ msgid "Setup Force Field" #~ msgstr "Configurer champ de force" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Nombre d'étapes" #~ msgid "Algorithm" #~ msgstr "Algorithme" #~ msgid "10e-" #~ msgstr "10e-" #~ msgid "Alanine" #~ msgstr "Alanine" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Arginine" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Asparagine" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "Acide aspartique" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Cystéine" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "Acide glutamique" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Glutamine" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Glycine" #~ msgid "Gly" #~ msgstr "Gly" #~ msgid "Histidine" #~ msgstr "Hisidine" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "Isoleucine" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Valine" #~ msgstr "Valine" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyrosine" #~ msgstr "Tyrosine" #~ msgid "Tyr" #~ msgstr "Tyr" #~ msgid "Tryptophan" #~ msgstr "Tryptophane" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "Thréonine" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "Sérine" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Proline" #~ msgid "Phenylalanine" #~ msgstr "Phénylalanine" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "Méthionine" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Lysine" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "Leucine" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "Séquence (N à C) :" #~ msgid "Stereochemistry:" #~ msgstr "Stéréochimie :" #~ msgid "L" #~ msgstr "G" #~ msgid "N Terminus:" #~ msgstr "Terminaison N :" #~ msgid "C Terminus:" #~ msgstr "Terminaisons C :" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Structure:" #~ msgstr "Structure :" #~ msgid "Straight Chain" #~ msgstr "Chaîne linéaire" #~ msgid "Alpha Helix" #~ msgstr "Hélice alpha" #~ msgid "Beta Sheet" #~ msgstr "Feuillet bêta" #~ msgid "Pi Helix" #~ msgstr "Hélice pi" #~ msgid "Phi:" #~ msgstr "Phi :" #~ msgid "Psi:" #~ msgstr "Psi :" #~ msgid "Chain Number:" #~ msgstr "Chaîne numéro :" #~ msgid "The chain number for the new peptide" #~ msgstr "Le numéro de chaîne du nouveau peptide" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Nombre de résidus :" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energie (kJ/mol) :" #~ msgid "Dipole Moment (D):" #~ msgstr "Moment dipolaire (D) :" #~ msgid "select Fragment" #~ msgstr "Sélectionner un fragment" #~ msgid "Basic" #~ msgstr "Élémentaire" #~ msgid "Comment" #~ msgstr "Commentaire" #~ msgid "Frequency" #~ msgstr "Fréquence" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Format" #~ msgstr "Format" #~ msgid "z-Matrix" #~ msgstr "Matrice Z" #~ msgid "z-Matrix compact" #~ msgstr "Matrice Z compacte" #~ msgid "Advanced" #~ msgstr "Avancé" #~ msgid "Basis Set" #~ msgstr "Base" #~ msgid "Control" #~ msgstr "Contrôle" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "RijCosX" #~ msgstr "Copy text \t RijCosX" #~ msgid "Aux. Basis Set" #~ msgstr "Base auxiliaire" #~ msgid "Aux. ECP" #~ msgstr "ECP auxiliaire" #~ msgid "Relativistic" #~ msgstr "Relativiste" #~ msgid "ZORA" #~ msgstr "ZORA" #~ msgid "IORA" #~ msgstr "IORA" #~ msgid "DKH" #~ msgstr "DKH" #~ msgid "Order" #~ msgstr "Ordre" #~ msgid "Corr. Aux. Basis Set" #~ msgstr "Base auxilliaire de corrélation" #~ msgid "Corr. ECP" #~ msgstr "Corrélation ECP" #~ msgid "Run type" #~ msgstr "Type d'exécution" #~ msgid "MOs" #~ msgstr "OM's" #~ msgid "Basis Sets" #~ msgstr "Bases" #~ msgid "Printlevel" #~ msgstr "Niveau d'impression" #~ msgid "Small" #~ msgstr "Petit" #~ msgid "Large" #~ msgstr "Détaillé" #~ msgid "Damping" #~ msgstr "Amortissement" #~ msgid "Factor" #~ msgstr "Facteur" #~ msgid "" #~ "

      select only if no defaults are wanted

      " #~ msgstr "" #~ "

      sélectionner seulement si aucune valeur par défaut n'est souhaitée

      " #~ msgid "Accuracy" #~ msgstr "Précision" #~ msgid "Tight SCF" #~ msgstr "Tight SCF" #~ msgid "Very Tight SCF" #~ msgstr "Very Tight SCF" #~ msgid "Extreme SCF" #~ msgstr "Extreme SCF" #~ msgid "KDIIS" #~ msgstr "KDIIS" #~ msgid "Levelshift " #~ msgstr "Convergers " #~ msgid "Levelshift" #~ msgstr "Levelshift" #~ msgid "2nd Order" #~ msgstr "Deuxième ordre" #~ msgid "SOSCF" #~ msgstr "SOSCF" #~ msgid "NRSCF" #~ msgstr "NRSCF" #~ msgid "AHSCF" #~ msgstr "AHSCF" #~ msgid "max. SCF iterations" #~ msgstr "Itérations SCF max." #~ msgid "SCF Type" #~ msgstr "Type de SCF" #~ msgid "restricted" #~ msgstr "restreint" #~ msgid "unrestricted" #~ msgstr "non restreint" #~ msgid "restricted open-shell" #~ msgstr "couche ouverte restreinte" #~ msgid "SFitting" #~ msgstr "SFitting" #~ msgid "GridX" #~ msgstr "Grille X" #~ msgid "FinalGridX" #~ msgstr "Grille X finale" #~ msgid "DFT Functional" #~ msgstr "Fonctionnelle" #~ msgid "Grid" #~ msgstr "Grille" #~ msgid "FinalGrid" #~ msgstr "Grille finale" #~ msgid "POV-Ray Export" #~ msgstr "Exporter POV-Ray" #~ msgid "Select..." #~ msgstr "Sélectionner..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Utiliser le lissage complet de la scène" #~ msgid "Antialias" #~ msgstr "Lissage" #~ msgid "Set the background color to be transparent" #~ msgstr "Rendre la couleur du fond transparente" #~ msgid "Alpha transparency" #~ msgstr "Transparence Alpha" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Rendu direct de la molécule avec la ligne de commande de POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Conserver le fichier source de POV-Ray après complétion du rendu" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Conserver le fichier source de POV-Ray à la fin du rendu" #~ msgid "Path:" #~ msgstr "Chemin :" #~ msgid "Abinit Input" #~ msgstr "Entrée Abinit" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Cartésiennes (Angstrom)" #~ msgid "Reduced" #~ msgstr "Réduites" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Limite des ondes planes (Ha) :" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Tolérance sur les forces (Ha/bohr) :" #~ msgid "Max lattice expansion:" #~ msgstr "Expansion max de la maille :" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "décalage k-point :" #~ msgid "0.0" #~ msgstr "0,0" #~ msgid "Number of bands:" #~ msgstr "Nombre de bandes :" #~ msgid "# k-point shifts:" #~ msgstr "# décalage k-point :" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "Limite grille double PW (Ha) :" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Type d'occupation :" #~ msgid "SCF tolerance type:" #~ msgstr "Type de tolérance SCF :" #~ msgid "Wave Function norm" #~ msgstr "Norme de la fonction d'onde" #~ msgid "Total Potential" #~ msgstr "Potentiel total" #~ msgid "Relative Force" #~ msgstr "Force relative" #~ msgid "1 - semiconducting" #~ msgstr "1 - semicondutrice" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - Étalement froid (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 - Étalement gaussien" #~ msgid "Smearing width (Ha):" #~ msgstr "Largeur d'étalement (Ha) :" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - pas d'ions mobiles " #~ msgid "1 - viscous damping" #~ msgstr "1 - amortissement visqueux" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS avec énergie" #~ msgid "# Geometrical time steps:" #~ msgstr "# Intervalles de temps géométriques :" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Lissage de l'énergie cinétique (Ha) :" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Calculer..." #~ msgid "Dalton Input" #~ msgstr "Entrée Dalton" #~ msgid "Basics" #~ msgstr "Informations de base" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Ajoute ce que vous saisissez dnas la ligne de titre du fichier d'entrée " #~ "pour\n" #~ "votre information personnelle." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "Basis Set:" #~ msgstr "Base :" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Style Pople" #~ msgid "Jensen's polarization consistent" #~ msgstr "Polarisations consistantes de Jensen" #~ msgid "Dunning's correlation consistent" #~ msgstr "Corrélations consistantes de Dunning" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ \tDeveloper note:" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Fonctions de corrélation de cœur" #~ msgid "Diffuse functions" #~ msgstr "Fonctions diffuses" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Directe" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Exécuter en parallèle si possible. Ce n'est possible que pour les\n" #~ "fonctions d'onde SCF et les calculs DFT. Dalton ne prend en charge que " #~ "MPI\n" #~ "dans la version actuelle et doit être compilé et installé correctement.\n" #~ "Le nombre de nœuds est défini par l'option « -N # » lors de l'exécution " #~ "du script « dalton »." #~ msgid "Parallel" #~ msgstr "Parallèle" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Pas de la grille :" #~ msgid "Partitioning Scheme:" #~ msgstr "Méthode de paritionnement :" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (original)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Finesse de la grille :" #~ msgid "coarse" #~ msgstr "grossière" #~ msgid "normal" #~ msgstr "normale" #~ msgid "fine" #~ msgstr "fine" #~ msgid "ultrafine" #~ msgstr "très fine" #~ msgid "Radial Scheme:" #~ msgstr "Méthode radiale :" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Afficher toutes les fonctionnelles" #~ msgid "Property:" #~ msgstr "Propriété :" #~ msgid "Polarizability" #~ msgstr "Polarisabilité" #~ msgid "Frequency Dependent" #~ msgstr "Dépendant de la fréquence" #~ msgid "No. excitations:" #~ msgstr "Nbre d'états excités :" #~ msgid "EFP Matches" #~ msgstr "Résultats PFE" #~ msgid "Group Label:" #~ msgstr "Étiquette du groupe :" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "Configuration &avancée" #~ msgid "Hessian" #~ msgstr "Hessienne" #~ msgid "Stat Point" #~ msgstr "Point Stat" #~ msgid "System" #~ msgstr "Système" #~ msgid "MO Guess" #~ msgstr "Estimation MO" #~ msgid "Misc" #~ msgstr "Divers" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Fonctions de polarisation des atomes lourds :" #~ msgid "Read" #~ msgstr "Lire" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Couche S diffuse sur les atomes lourds" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Couche L diffuse sur les atomes lourds" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Valence zeta double" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Valence zeta triple" #~ msgid "SBKJA Valence" #~ msgstr "Valence SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "Valence Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Type ECP :" #~ msgid "Default" #~ msgstr "Par défaut" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Fonctions de polarisation des atomes lourds :" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#fonctions de polarisation des atomes légers :" #~ msgid "Polar:" #~ msgstr "Polaire :" #~ msgid "Max SCF Iterations:" #~ msgstr "Itérations SCF maximum :" #~ msgid "Gradient" #~ msgstr "Gradient" #~ msgid "Trudge" #~ msgstr "Marche" #~ msgid "Saddle Point" #~ msgstr "Point selle" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Gradient extrémal" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Moment de transition radiative" #~ msgid "Spin Orbit" #~ msgstr "Spin-orbite" #~ msgid "Finite Electric Field" #~ msgstr "Champ électrique fini" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Optimisation globale" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Optimisation FMO" #~ msgid "Raman Intensities" #~ msgstr "Intensités Raman" #~ msgid "Make EFP" #~ msgstr "Générer PFE" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Aucun (Cl)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Type de SCF :" #~ msgid "Localization Method:" #~ msgstr "Méthode localisée :" #~ msgid "Exec Type:" #~ msgstr "Type d'exécution :" #~ msgid "CI:" #~ msgstr "CI :" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Déterminant Ames Lab" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Contrainte d'occupation dans un espace actif multiple" #~ msgid "CI Singles" #~ msgstr "Singletons CI" #~ msgid "Full Second Order CI" #~ msgstr "CI complet au second ordre" #~ msgid "General CI" #~ msgstr "CI général" #~ msgid "CC:" #~ msgstr "CC :" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD : CC linéarisé" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD : CC avec paires" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD : CC avec singletons et paires" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Exécution normale" #~ msgid "Check" #~ msgstr "Vérification" #~ msgid "Debug" #~ msgstr "Débogage" #~ msgid "Molecule Charge:" #~ msgstr "Charge de la molécule :" #~ msgid "Run Type:" #~ msgstr "Type d'exécution :" #~ msgid "Use MP2" #~ msgstr "Utiliser MP2" #~ msgid "Use DFT" #~ msgstr "Utiliser DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "Nombre de variables de matrice Z" #~ msgid "Ǻngstrom" #~ msgstr "Ångstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Ordre de l'axe principal :" #~ msgid "Coordinate Type:" #~ msgstr "Type de coordonnées :" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Coordonnées cartésiennes uniques" #~ msgid "Hilderbrant internals" #~ msgstr "Internes de Hilderbrant" #~ msgid "MOPAC Z-Matrix" #~ msgstr "Matrice Z MOPAC" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Utiliser la symétrie durant le calcul" #~ msgid "Point Group:" #~ msgstr "Groupe ponctuel :" #~ msgid "Minutes" #~ msgstr "Minutes" #~ msgid "Hours" #~ msgstr "Heures" #~ msgid "Days" #~ msgstr "Jours" #~ msgid "Weeks" #~ msgstr "Semaines" #~ msgid "Years" #~ msgstr "Années" #~ msgid "Millenia" #~ msgstr "Millénaires" #~ msgid "MegaWords" #~ msgstr "Mégamots" #~ msgid "MegaBytes" #~ msgstr "Mégaoctets" #~ msgid "GigaWords" #~ msgstr "Gigamots" #~ msgid "GigaBytes" #~ msgstr "Gigabits" #~ msgid "Force Parallel Methods" #~ msgstr "Forcer l'usage de méthodes parallèles" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Produire un fichier « core » lors d'un plantage" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI :" #~ msgid "Memory:" #~ msgstr "Mémoire :" #~ msgid "Diagonalization Method:" #~ msgstr "Méthode de diagonalisation :" #~ msgid "Parallel Load Balance Type" #~ msgstr "Type de répartition de charge en parallèle" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Boucle" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Valeur suivante" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Utilisation la représentation externe des données dans les messages" #~ msgid "Initial Guess:" #~ msgstr "Estimation initiale :" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "Lecture MO ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO enregistré (DICTNRY)" #~ msgid "Skip" #~ msgstr "Ignorer" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Rotation des orbitales alpha et beta" #~ msgid "Print the Initial Guess" #~ msgstr "Afficher l'estimation initiale" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Interface GAMESS pour autres codes" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Forcer une vérification de type" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (Version UK)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussien 9x" #~ msgid "Solvate with Water" #~ msgstr "Dissoudre dans l'eau" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Générer orbitales naturelles UHF" #~ msgid "Direct SCF" #~ msgstr "SCF direct" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Calculer seulement ce qui a changé dans la matrice de Fock" #~ msgid "Slater exchange" #~ msgstr "Échange de Slater" #~ msgid "Becke 1988 exchange" #~ msgstr "Échange Becke 1988" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN : corrélation Vosko-Wilk-Nusair (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP : corrélation Lee-Yang-Parr" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN : Echange Slater + corrélation VWN" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN : échange BECKE + corrélation VWN5" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP : échange BECKE + corrélation LYP" #~ msgid "Gill 1996 exchange" #~ msgstr "Échange Gill 1996" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Échange Perdew-Burke-Ernzerhof (PBE)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP : corrélation progressive à 1 paramètre" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP : SLATER + corrélation Lee-Yang-Parr (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP : SLATER + corrélation OP" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP : échange BECKE + corrélation OP" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN : échange GILL+ corrélation VWN5" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP : échange GILL + corrélation LYP" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN : échange PBE + corrélation VWN6" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP : échange PBE + corrélation LYP" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP : échange PBE + corrélation OP" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP : échange HF et BECKE + corrélation LYP" #~ msgid "Grid-Free" #~ msgstr "Sans grille" #~ msgid "DFT Functional:" #~ msgstr "Fonctionnelle DFT :" #~ msgid "AO Integral Storage" #~ msgstr "Stockage des intégrales OA" #~ msgid "Duplicated on Each Node" #~ msgstr "Dupliqué sur chaque nœud" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distribution sur tous les nœuds" #~ msgid "words" #~ msgstr "mots" #~ msgid "Compute MP2 Properties" #~ msgstr "Calculer les propriétés MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Limite de prise en compte des orbitales" #~ msgid "Use Localized Orbitals" #~ msgstr "Utiliser orbitales localisées" #~ msgid "# of Core Electrons:" #~ msgstr "Nombre d'électrons de cœur :" #~ msgid "Transformation Method" #~ msgstr "Méthode de transformation" #~ msgid "Two Phase Bin Sort" #~ msgstr "Tri « bin sort » à deux phases" #~ msgid "Segmented Transformation" #~ msgstr "Transformation segmentée" #~ msgid "Numeric" #~ msgstr "Numérique" #~ msgid "Double Differenced Hessian" #~ msgstr "Matrice hessienne" #~ msgid "Print Internal Force Constants" #~ msgstr "Afficher constantes de force internes" #~ msgid "Displacement Size:" #~ msgstr "Taille du déplacement :" #~ msgid "Purify Hessian" #~ msgstr "Purifier hessienne" #~ msgid "Frequency Scale Factor:" #~ msgstr "Facteur d'échelle de fréquence :" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Hessienne initiale" #~ msgid "Guess (+ define)" #~ msgstr "Deviner (et définir)" #~ msgid "Read (from $HESS)" #~ msgstr "Lire (sur $HESS)" #~ msgid "Update Step Size" #~ msgstr "Actualiser la taille d'une étape" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Afficher orbitales à chaque itération" #~ msgid "Jump Size:" #~ msgstr "Taille de saut :" #~ msgid "Stationary Point" #~ msgstr "Point stationnaire" #~ msgid "Initial:" #~ msgstr "Initial :" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Optimisation par fonction rationnelle" #~ msgid "Quadratic Approximation" #~ msgstr "Approximation quadratique" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Optimisation contrainte" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Recalculer Hessienne tous les :" #~ msgid "Follow Mode:" #~ msgstr "Mode de suivi :" #~ msgid "GAMESS-UK Input" #~ msgstr "Données GAMESS-UK" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Données GAMESS-UK générées par Avogadro" #~ msgid "Transition State Search" #~ msgstr "Recherche d'état de transition" #~ msgid "Basis:" #~ msgstr "Base :" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Matrice Z" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "En mode direct, les intégrales ne sont pas enregistrées sur disque, mais " #~ "recalculées au besoin.\n" #~ "Sur des systèmes modernes avec des processeurs rapides et des disques " #~ "lents, ce mode\n" #~ "est souvent plus rapide." #~ msgid "Run in direct mode:" #~ msgstr "Exécuter en mode direct :" #~ msgid "Gaussian Input" #~ msgstr "Entrée Gaussian" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Standard" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Checkpoint :" #~ msgid "Z-matrix (compact)" #~ msgstr "Matrice Z compacte" #~ msgid "MOLPRO Input" #~ msgstr "Données MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Version de Molpro :" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "Données MOPAC" #~ msgid "Quartet" #~ msgstr "Quartet" #~ msgid "Quintet" #~ msgstr "Quintuplet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "PM1" #~ msgid "NWChem Input" #~ msgstr "Entrée NWChem" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Entrée Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "Données TeraChem" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Couche ouverte" #~ msgid "PBD" #~ msgstr "PDB" #~ msgid "no" #~ msgstr "non" #~ msgid "yes" #~ msgstr "oui" #~ msgid "D2" #~ msgstr "D2" #~ msgid "D3" #~ msgstr "D3" #~ msgid "Dispersion:" #~ msgstr "Dispersion :" #~ msgid "Load Shaders" #~ msgstr "Charger les ombrages" #~ msgid "Shader Name:" #~ msgstr "Nom de l'ombrage :" #~ msgid "Vertex Shader:" #~ msgstr "Ombrage des sommets :" #~ msgid "Fragment Shader:" #~ msgstr "Ombrage de fragment :" #~ msgid "Assign Shader" #~ msgstr "Attribuer un ombrage" #~ msgid "Display Type:" #~ msgstr "Type d'affichage :" #~ msgid "Font:" #~ msgstr "Police de caractères :" #~ msgid "Change Font..." #~ msgstr "Changer la police de caractères..." #~ msgid "Foreground:" #~ msgstr "Avant-plan :" #~ msgid "New..." #~ msgstr "Nouveau..." #~ msgid "Rename..." #~ msgstr "Renommer..." #~ msgid "&Schemes:" #~ msgstr "&Projets :" #~ msgid "&DPI:" #~ msgstr "&DPI :" #~ msgid "&Width:" #~ msgstr "&Largeur :" #~ msgid "&Height" #~ msgstr "&Hauteur" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "px" #~ msgstr "px" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Utiliser une valeur optimisée de la taille de police au lieu de la valeur " #~ "spécifiée dans le projet (les tailles de point écran-image ne se mette " #~ "pas bien à l'échelle)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Auto-ajuster la taille de police" #~ msgid "Spectra Tab" #~ msgstr "Tableau des spectres" #~ msgid "&Gaussian Width:" #~ msgstr "&Élargissement gaussien" #~ msgid "&Label peaks" #~ msgstr "&Étiquette des pics" #~ msgid "Rotatory Strength type:" #~ msgstr "Type de pouvoir rotatoire :" #~ msgid "Energy units:" #~ msgstr "Unités des énergies :" #~ msgid "Density units" #~ msgstr "Unités des densités" #~ msgid "Fermi Energy: " #~ msgstr "Énergie de Fermi : " #~ msgid "States / Cell" #~ msgstr "États/maille" #~ msgid "States / Atom" #~ msgstr "États/atome" #~ msgid "States / Valence electron" #~ msgstr "États/électron de valence" #~ msgid "Fermi energy at zero" #~ msgstr "Énergie de Fermi à zéro" #~ msgid "Scale integrated DOS" #~ msgstr "Mettre àl'échelle la DEE intégrée" #~ msgid "Show integrated DOS" #~ msgstr "Afficher la DEE intégrée" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "&Unités de l'axe des Y :" #~ msgid "Scaling Type:" #~ msgstr "Type de mise à l'échelle :" #~ msgid "Relative" #~ msgstr "Relative" #~ msgid "Laser Wavenumber:" #~ msgstr "Nombre d'onde du laser :" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_RMN" #~ msgid "Nucleus:" #~ msgstr "Noyau :" #~ msgid "Gaussian &Width:" #~ msgstr "Élargissement & gaussien :" #~ msgid "Reset &Plot Axes" #~ msgstr "Ré-initialiser &tracer les axes" #~ msgid "Label Peaks:" #~ msgstr "Étiqueter les pics :" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Fréquences" #~ msgid "Filter: " #~ msgstr "Filtre : " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Activité (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Afficher les spectres..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "" #~ "Les fréquences de vibration élevées auront des mouvement plus rapides." #~ msgid "Animation speed set by frequency" #~ msgstr "Vitesse d'animation fixée par la fréquence" #~ msgid "Display force &vectors" #~ msgstr "Affichage des forces et des vecteurs" #~ msgid "&Normalize displacements" #~ msgstr "Normaliser les déplacements" #~ msgid "&Recalculate All" #~ msgstr "&Tout recalculer" #~ msgid "Default &Quality:" #~ msgstr "&Qualité par défaut :" #~ msgid "Show occupied orbitals first" #~ msgstr "Afficher les orbitales occupées en premier" #~ msgid "Limit orbital precalculations to " #~ msgstr "Limiter le pré-calcul d'orbitale aux " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "orbitales voisines des HO/BV" #~ msgid "Surface Type:" #~ msgstr "Type de surface :" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Basse" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Moyenne" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Élevée" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Très élevée" #~ msgid "Isosurface cutoff value" #~ msgstr "Limite de prise en compte de l'isosurface" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Dans l'affichage du type :" #~ msgid "New Display" #~ msgstr "Nouvel affichage" #~ msgid "Advanced..." #~ msgstr "Avancé..." #~ msgid "&n:" #~ msgstr "&n :" #~ msgid "&m:" #~ msgstr "&m :" #~ msgid "&Length:" #~ msgstr "&Longueur :" #~ msgid "Uni&t:" #~ msgstr "Uni&té :" #~ msgid "periodic units" #~ msgstr "unités périodiques" #~ msgid "angstrom" #~ msgstr "angström" #~ msgid "bohr radii" #~ msgstr "bohr" #~ msgid "nanometers" #~ msgstr "nanomètres" #~ msgid "&Cap with hydrogen" #~ msgstr "&Coiffé d'hydrogène" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "Ceci peut prendre un certain temps. Si on a seulement besoin des " #~ "coordonnées \n" #~ "atomiques (par exemple pour un calcul de mécanique quantique),\n" #~ "une représentation à liaison simple seulement peut suffire." #~ msgid "Find &double bonds" #~ msgstr "Localiser &les liaisons doubles" #~ msgid "Molecular Symmetry" #~ msgstr "Symétrie moléculaire" #~ msgid "VRML Export" #~ msgstr "Exportation VRML" #~ msgid "Scale (mm/Å):" #~ msgstr "Échelle (mm/Å) :" #~ msgid "Smallest sphere (mm): " #~ msgstr "La plus petite shère (mm) : " #~ msgid "Thinnest cylinder (mm): " #~ msgstr "Cylindre le plus fin (mm) : " #~ msgid "Calculate Size..." #~ msgstr "Calculer la taille..." #~ msgid "Display visual cues" #~ msgstr "Afficher l'aide contextuelle" #~ msgid "Python Settings" #~ msgstr "Paramètres Python" #~ msgid "Z Matrix Editor" #~ msgstr "Éditeur de matrice Z" avogadrolibs-1.100.0/i18n/fr_CA.po000066400000000000000000007044641474375334400164530ustar00rootroot00000000000000# Translations for the Avogadro molecular builder. # Copyright (C) 2006-2018 The Avogadro Project # This file is distributed under the same license as the Avogadro package. # FIRST AUTHOR , YEAR. # msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: YEAR-MO-DA HO:MI+ZONE\n" "Last-Translator: Automatically generated\n" "Language-Team: none\n" "Language: fr_CA\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n > 1;\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" avogadrolibs-1.100.0/i18n/gl.po000066400000000000000000011735051474375334400161000ustar00rootroot00000000000000# Translations for the Avogadro molecular library libavogadro. # Copyright (C) 2006-2010 The Avogadro Project # This file is distributed under the same license as the Avogadro package. # # Marce Villarino , 2010. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: Avogadro 1.1.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-13 03:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Galician \n" "Language: gl\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, fuzzy, qt-format msgid "%1 Input Generator" msgstr "%1 Xerador de entrada" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Continuar" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Pechar" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Descoñecido" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Hidróxeno" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Helio" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Litio" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Berilio" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Boro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Carbono" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Nitróxeno" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Oxíxeno" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Flúor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Sodio" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnesio" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Aluminio" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silicio" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fósforo" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Xofre" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Cloro" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Potasio" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Calcio" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Escandio" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titanio" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadio" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Cromo" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Manganeso" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Ferro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Cobalto" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Níquel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Cobre" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Cinc" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Galio" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Xermanio" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsénico" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selenio" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Bromo" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Cripton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidio" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Estroncio" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Itrio" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Circonio" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niobio" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molibdeno" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Tecnecio" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Rutenio" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rodio" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Paladio" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Prata" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Cadmio" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indio" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Estaño" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimonio" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Telurio" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Iodo" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Cesio" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Bario" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantano" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cerio" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodimio" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodimio" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Prometio" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samario" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europio" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinio" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbio" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Disprosio" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmio" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbio" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Tulio" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Iterbio" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutecio" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnio" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tántalo" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Volframio" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Renio" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmio" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridio" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platino" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Ouro" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Mercurio" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Talio" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Chumbo" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bismuto" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonio" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Ástato" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Francio" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radio" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Actinio" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Torio" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protactinio" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uranio" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptunio" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutonio" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Americio" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Curio" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berquelio" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Californio" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einsteinio" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermio" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelevio" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelio" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Laurencio" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Ruterfordio" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnio" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgio" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bohrio" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassio" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitnerio" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtio" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Roentgenio" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Copernicio" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihonio" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flerovio" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moscovio" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermorio" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Ténnesso" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Todos os ficheiros" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Título" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 #, fuzzy msgid "Theory" msgstr "Teoría" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Base" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 #, fuzzy msgid "[no molecule]" msgstr "[ningunha molécula]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Esferas e varelas" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Debuxos animados" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Momento dipolar" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Forza" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Etiqueta" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 #, fuzzy #| msgid "QTAIM" msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Modelo de aramios" #: qtgui/moleculemodel.cpp:92 #, fuzzy msgid "Untitled" msgstr "sen título" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Táboa periódica" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Engadir un átomo" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Eliminar o átomo" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Axustar os hidróxenos" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Trocar o elemento" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Trocar o elemento" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Engadir un enlace" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 #, fuzzy msgid "Clear Bonds" msgstr "Borrar o enlace" #: qtgui/rwmolecule.cpp:335 #, fuzzy msgid "Set Bond Orders" msgstr "Orde do enlace" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Modificar a orde de enlace" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 #, fuzzy msgid "Remove Unit Cell" msgstr "Retirar a cela unidade" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 #, fuzzy msgid "Wrap Atoms to Cell" msgstr "Envolver os átomos da cela" #: qtgui/rwmolecule.cpp:522 #, fuzzy msgid "Scale Cell Volume" msgstr "Escalar o volume da cela" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "Rotar á orientación estándar" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 #, fuzzy msgid "Reduce to Primitive" msgstr "Reducir á cela primitiva" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Encher a cela unidade" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 #, fuzzy #| msgid "&Settings" msgid "Settings" msgstr "Configuracións" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Ficheiro" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 #, fuzzy msgid "&Export" msgstr "&Exportar" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Construír" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Elemento:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Aliñar" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Eixe:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 #, fuzzy #| msgid "selected atom to origin" msgid "Center the atom at the origin." msgstr "do atomo seleccionado na orixe" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Aliña moléculas sobre un eixo cartesiano" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, fuzzy msgid "IO Error" msgstr "Erro" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Erro" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "Éxito" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "Cor personalizada…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "Elemento" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy #| msgid "Partial charge" msgid "By Partial Charge…" msgstr "Carga parcial…" #: qtplugins/applycolors/applycolors.cpp:82 #, fuzzy msgid "By Secondary Structure" msgstr "estrutura secundaria" #: qtplugins/applycolors/applycolors.cpp:87 #, fuzzy msgid "By Amino Acid" msgstr "Aminoácidos" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 #, fuzzy #| msgid "Spectra" msgctxt "colormap" msgid "Spectral" msgstr "Espectros" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Vista" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 #, fuzzy msgid "Color Residues" msgstr "Cor o residuo" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Mostrar varios enlaces" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Manipulación centrada nos enlaces" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Manipulación centrada nos enlaces" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "Percibe os enlaces" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "Enlace" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 #, fuzzy msgid "Perceive bond orders." msgstr "Percibe os enlaces." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Esqueleto" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Fita" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Debuxos animados" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Debuxos animados" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "&Extensións" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #, fuzzy msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 #, fuzzy #| msgid "Other" msgid "Other…" msgstr "Outro…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "Editor de &coordenadas…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "Editor de coordenadas" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Nome do elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Símbolo do elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Índices atómicos." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Número atómico." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Personalizada" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Entrada do Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 #, fuzzy msgid "Copy" msgstr "Copiar" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 #, fuzzy msgid "Clear" msgstr "Limpar" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Enerxía" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 #, fuzzy msgid "Molecular Dynamics" msgstr "Dinámica molecular" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 #, fuzzy msgid "Geometry Optimization" msgstr "Optimización da xeometría" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 #, fuzzy msgid "Molecular Mechanics" msgstr "Mecánica molecular" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 #, fuzzy msgid "Conjugate Gradients" msgstr "Gradientes conxugados" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 #, fuzzy msgid "Steepest descent" msgstr "Máximo gradiente" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy msgid "Import Crystal from Clipboard…" msgstr "Importar cristal desde o portapapeis…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy msgid "Edit Unit Cell…" msgstr "Engadir unha cela unidade…" #: qtplugins/crystal/crystal.cpp:57 #, fuzzy msgid "&Wrap Atoms to Unit Cell" msgstr "&Envolver os átomos da cela" #: qtplugins/crystal/crystal.cpp:63 #, fuzzy msgid "Rotate to Standard &Orientation" msgstr "Rotar á &orientación estándar" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy msgid "Scale Cell &Volume…" msgstr "Escalar a cela ao &volume…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Reducir a cela (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "&Crystal" msgstr "&Cristalografía" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Retirar a cela &unidade" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Engadir unha cela &unidade" #: qtplugins/crystal/crystal.cpp:168 #, fuzzy msgid "Import Crystal from Clipboard" msgstr "Importar cristal desde o portapapeis" #: qtplugins/crystal/crystal.cpp:175 #, fuzzy msgid "Wrap atoms into the unit cell." msgstr "Envolver os átomos da cela." #: qtplugins/crystal/crystal.cpp:177 #, fuzzy #| msgid "Rotate to Standard Orientation" msgid "Rotate the unit cell to the standard orientation." msgstr "Rotar á orientación estándar" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "Cristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Non é posíbel analizar o texto" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Debuxar" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Debuxar un átomo" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Distancia:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Simple" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Duplo" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Triplo" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 #, fuzzy msgid "&Import" msgstr "&Importar" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Obter do PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "A estrutura química que se vai obter." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Fallou a obtención a través da rede" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Erro de esgotamento do tempo límite da rede ou de outro tipo." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Non foi posíbel achar a molécula especificada: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Obter do PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 #, fuzzy msgid "Optimize Geometry" msgstr "Optimizar a xeometría" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Configurar…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy #| msgid "Import Selected Atoms" msgid "Freeze Selected Atoms" msgstr "Fixar os átomos escollidos" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "&Calcular" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Enerxía %1 = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield optimization" msgstr "Optimización do campo de forzas" #: qtplugins/forcefield/forcefield.h:50 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" msgstr "Optimización do campo de forzas" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "&GAMESS" msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Entrada de GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "Punto singular de enerxía" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Xeometría de equilibrio" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Estado de transición" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Frecuencias" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Potencial nuclear" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Auga" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Singlete" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Doblete" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Triplete" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Dicatión" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Catión" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neutro" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anión" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianión" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "&Axustar os hidróxenos" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Engadir hidróxenos" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Eliminar hidróxenos" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "&Hidróxenos" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidróxenos" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Inserir" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 #, fuzzy #| msgctxt "Ultra-Violet spectrum" #| msgid "UV" msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 #, fuzzy #| msgid "T" msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "Molécula…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Cristal…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "Importar cristal" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Inserir un fragmento" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Inserir un fragmento" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Insire fragmentos de moléculas para construír outras máis grandes." #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "Cor:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Ningún" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "ID único" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Elemento" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 #, fuzzy msgid "Atom Label:" msgstr "Etiquetas dos átomos:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 #, fuzzy msgid "Residue Label:" msgstr "Etiquetas do residuo:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Desexa actualizar o texto de previsualización, perdendo todas as " "modificacións que fixese no panel de vista previa do ficheiro de entrada do " "Lammps?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Opacidade:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 #, fuzzy msgid "No descriptors found!" msgstr "Non hai descrición!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipular" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Medir" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Diedro:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Ángulo:" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "Ángulo:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(pendente)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 #, fuzzy msgid "&Analysis" msgstr "&Analítico" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Propiedades" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Propiedades da molécula" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Propiedades da molécula" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 #, fuzzy msgid "Export CSV" msgstr "Exportar a CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 #, fuzzy #| msgid "WFN files (*.wfn);;All files (*.*)" msgid "CSV Files (*.csv);;All Files (*)" msgstr "Ficheiros CSV (*.csv);;Todos os ficheiros (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 #, fuzzy #| msgid "Could not open file '%1' for writing." msgid "Could not open the file for writing." msgstr "Non foi posíbel abrir o ficheiro «%1» para escribir." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy msgid "Export…" msgstr "Exportar…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navegar" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Nome químico" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 #, fuzzy msgid "Configure Force Field…" msgstr "Configurar o campo de forzas…" #: qtplugins/openbabel/openbabel.cpp:59 #, fuzzy #| msgid "Conformer Search" msgid "Conformer Search…" msgstr "Busca de confórmeros…" #: qtplugins/openbabel/openbabel.cpp:65 #, fuzzy msgid "Perceive Bonds" msgstr "Percibe os enlaces" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Engadir hidróxenos para o pH…" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "Eliminar hidróxenos" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Optimizar a xeometría (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "O ficheiro de traxectoria %1 non se corresponde co número de átomos nesta " "molécula" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Engadir hidróxenos (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "Engadir hidróxenos para o pH" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Eliminar hidróxenos (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Desexa actualizar o texto de previsualización, perdendo todas as " "modificacións que fixese no panel de vista previa do ficheiro de entrada do " "OpenMM?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Deter" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 #, fuzzy msgid "Dynamic bonding?" msgstr "Enlaces dinámicos" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "ficheiros de vídeo (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 #, fuzzy msgid "Save File" msgstr "Gardar o ficheiro" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Valencia" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "Cor" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Átomo" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Tipo" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "Átomo inicial" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Átomo final" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Orde do enlace" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Lonxitude (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 #, fuzzy msgid "Secondary Structure" msgstr "Estrutura Secundaria" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Átomo 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Vértice" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Átomo 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Ángulo (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Átomo 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Átomo 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "Hélice" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "Hélice" #: qtplugins/propertytables/propertymodel.cpp:939 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "Folla" #: qtplugins/propertytables/propertymodel.cpp:941 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Hélice 3-10" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "Propiedades do átomo…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "Propiedades do enlace…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Propiedades do ángulo…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy #| msgid "Torsion Properties" msgid "Torsion Properties…" msgstr "Propiedades da torsión…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" "Xanelas para mostrar as propiedades do átomo, do enlace, do ángulo e da " "torsión." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Propiedades" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Propiedades do átomo" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Propiedades do enlace" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Propiedades do ángulo" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Propiedades da torsión" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Propiedades do confórmero" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Debuxa as primitivas empregando as propiedades QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Abrir un ficheiro WFN" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Ficheiros WFN (*.wfn);;Todos os ficheiros (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Extensión do QTAIM" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "Reiniciar" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Residue…" msgstr "Escoller segundo o residuo…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Escoller" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" msgstr "Escoller o residuo" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "Escoller" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Selección" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 #, fuzzy msgid "Perceive Space Group…" msgstr "Percepción do espazo de grupo…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Encher a cela unidade…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "Space Group" msgstr "Espazo de grupo" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 #, fuzzy msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Produciuse un fallo na percepción do espazo de grupo.\n" "\n" "Gustaríalle tentalo de novo cunha tolerancia diferente?" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 #, fuzzy msgid "Select Space Group" msgstr "Estabelecer o espazo de grupo" #: qtplugins/spacegroup/spacegroup.h:24 #, fuzzy msgid "SpaceGroup" msgstr "Espazo de grupo" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgid "Spectra" msgid "Spectra" msgstr "Espectros" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "Infravermellos" #: qtplugins/spectra/spectradialog.cpp:440 #, fuzzy #| msgctxt "Raman spectrum" #| msgid "Raman" msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "RMN" #: qtplugins/spectra/spectradialog.cpp:446 #, fuzzy #| msgid "Electron Density" msgid "Electronic" msgstr "Electrónica" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 #, fuzzy #| msgid "&Density Of States Settings" msgid "Density of States" msgstr "densidade de estados" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Escoller a cor de fondo" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Escoller a cor do primeiro plano" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "Escoller a cor do espectro calculado" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "Escoller a cor do espectro importado" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 #, fuzzy #| msgid "Wavenumber (cm-1)" msgid "Wavenumbers (cm⁻¹)" msgstr "Número de onda (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 #, fuzzy #| msgid "Intensities" msgid "Intensity" msgstr "Intensidades" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 #, fuzzy #| msgid "Shift (ppm)" msgid "Chemical Shift (ppm)" msgstr "Desprazamento (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Enerxía (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Simetria" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Estado" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Orbital molecular" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Densidade electrónica" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "OM %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Create Surfaces" msgid "Create Surfaces…" msgstr "Crear as superficies…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 #, fuzzy msgid "Calculating electron density" msgstr "Calculando a densidade electrónica" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Superficies" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 #, fuzzy #| msgid "Symmetry" msgid "Symmetry…" msgstr "Simetria…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, fuzzy, qt-format msgid "Group %1" msgstr "Grupo %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "Vibración" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, fuzzy, qt-format #| msgid "G03 failed to start." msgid "Error: %1 failed to start" msgstr "Fallou o inicio de %1" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Diálogo" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Formulario" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "Inserir un fragmento…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Campo de forzas:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Éxito" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial charge" msgid "Partial Charges" msgstr "Carga parcial" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formato:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Aplicar" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Restaurar todo" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Predeterminados" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "Configuración &básica" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Título:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Calcular:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Método:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opción de super cela" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Repetir A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Repetir B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Repetir C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Aplicar" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Escalar o volume da cela unidade" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Etiqueta de texto" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Orde do enlace:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Entrada de GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "En:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicidade:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Con:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Carga:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nome" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy #| msgid "G" msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy #| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other" msgid "Other" msgstr "Outro" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Simple" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Duplo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Usar a forma" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) #, fuzzy #| msgid "Origin:" msgid "Origin" msgstr "Orixe" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Busca de confórmeros" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Método" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Number of conformers" msgid "Number of conformers:" msgstr "Número de confórmeros:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Busca sistemática de rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Busca aleatoria de rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Busca ponderada de rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Máximo gradiente" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Campo de forzas:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Referencia" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Simple" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Duplo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Restricións:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Temperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Enerxía total" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Lonxitude de onda:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Raio do punto crítico:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Raio da rota do enlace:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalente" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Tamaño constante" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy #| msgid "Frequency Scale Factor:" msgid "Scale Factor:" msgstr "Factor de escala:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Width:" msgid "Peak Width:" msgstr "Largura:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) #, fuzzy #| msgid "Threshold:" msgid "Peak Threshold:" msgstr "Límite:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Aparencia" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Mostrar" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "Importa un tsc de espectros experimentais para sobrepolos no debuxo." #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Importar..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Estabelecer a cor..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Espectros importados:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Exportar..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Fondo:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Export Calculated Spectrum" msgid "Calculated Spectra:" msgstr "Espectro calculado:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy #| msgid "10e-" msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Exportar os datos" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Pechar" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Controles:\n" "Duplo clic esquerdo: Restaurar os límites predeterminados dos eixos\n" "Clic dereito + arrastrar: Mover o debuxo\n" "Clic central + arrastrar: Ampliar á rexión\n" "Rota do rato: Ampliar ao cursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "&Cargar datos..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Calidade: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Baixa" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Media" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Alta" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Moi alta" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Crear as superficies" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Cor segundo:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy #| msgctxt "Electrostatic potential surface type" #| msgid "Electrostatic Potential" msgid "Electrostatic Potential" msgstr "Potencial electrostático" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolución:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Valor da isosuperficie:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " K" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Claro" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calcular" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molécula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "1: Linear" msgstr "Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "2: Linear" msgstr "Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "Tipo:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) #, fuzzy msgid "From Clipboard" msgstr "o portapapeis" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Grupos" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Grupo:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitude:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #, fuzzy msgid "Start Animation" msgstr "Iniciar a animación" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) #, fuzzy msgid "Stop Animation" msgstr "Deter a animación" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) #, fuzzy msgid " eV" msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Miguel Anxo Bouzada,Mvillarino, ,Launchpad " "Contributions:,Miguel Anxo Bouzada,Mvillarino, ,Launchpad Contributions:," "Miguel Anxo Bouzada,Mvillarino, ,Launchpad Contributions:,Miguel Anxo " "Bouzada,Mvillarino, ,Launchpad Contributions:,Miguel Anxo Bouzada,Mvillarino" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,mbouzada@gmail.com,,,,mbouzada@gmail.com,,,,mbouzada@gmail.com,,,," "mbouzada@gmail.com,,,,mbouzada@gmail.com," #, fuzzy #~ msgid "eV" #~ msgstr "eV" #, fuzzy #~ msgid "eV)" #~ msgstr "eV)" #, fuzzy #~| msgid "Partial charge" #~ msgid "Partial Charge" #~ msgstr "Carga parcial" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animación" #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals" #, fuzzy #~ msgid "Geometry" #~ msgstr "Xeometría" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Engadir unha cela &unidade" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Índices atómicos" #, fuzzy #~ msgid "By Distance" #~ msgstr "Distancia" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Índices atómicos" #, fuzzy #~ msgid "&Copy" #~ msgstr "Copiar todo" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "Nome IUPAC da molécula:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Masa molecular (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Fórmula química:" #~ msgid "Number of Atoms:" #~ msgstr "Número de átomos:" #~ msgid "Number of Bonds:" #~ msgstr "Número de enlaces:" #~ msgid "TODO" #~ msgstr "POR FACER" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Tamaño do salto:" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "Optimización" #, fuzzy #~ msgid "In." #~ msgstr "En:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragmento..." #, fuzzy #~| msgid "DFT Functional:" #~ msgid "Functional Groups" #~ msgstr "DFT funcional:" #~ msgid "Other..." #~ msgstr "Outro..." #, fuzzy #~ msgid "Filename" #~ msgstr "Nome do ficheiro:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Estrutura:" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navegar" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navegar" #~ msgid "OK" #~ msgstr "Aceptar" #~ msgid "Cancel" #~ msgstr "Cancelar" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Nome do elemento" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Todos os ficheiros" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Romboédrico" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molécula" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Non se definiu ningunha molécula" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Pegar cristal" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Engadir hidróxenos para o pH..." #~ msgid "Atom Properties..." #~ msgstr "Propiedades do átomo..." #~ msgid "Bond Properties..." #~ msgstr "Propiedades do enlace..." #~ msgid "Angle Properties..." #~ msgstr "Propiedades do ángulo..." #~ msgid "Torsion Properties..." #~ msgstr "Propiedades da torsión..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Propiedades da molécula..." #~ msgid "Create Surfaces..." #~ msgstr "Crear superficies..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Simetria" #~ msgid "Insert Fragment..." #~ msgstr "Inserir un fragmento..." #~ msgid "Theory:" #~ msgstr "Teoría:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Distancia (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Rotábel" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Confórmero %1\n" #~ "Lonxitude %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Confórmero %1\n" #~ "Ángulo %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Ángulo %1" #, fuzzy #~ msgid "Angle" #~ msgstr "Ángulo:" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Confórmerr %1\n" #~ "Torsión %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsión %1" #~ msgid "Torsion" #~ msgstr "Torsión" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "Enerxía (kJ/mol):" #~ msgid "Yes" #~ msgstr "Si" #~ msgid "No" #~ msgstr "Non" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Xerador de entrada..." #, fuzzy #~ msgid "Import" #~ msgstr "Importar" #~ msgid "Insert SMILES" #~ msgstr "Inserir SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Inserir un fragmento SMILES:" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "Importar cristal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Insire fragmentos de moléculas para construír outras máis grandes" #~ msgid "E&xtensions" #~ msgstr "E&xtensións" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimizar a xeometría" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Optimización da xeometría" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Engadir hidróxenos" #, fuzzy #~ msgid "Stopped" #~ msgstr "Deter" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Superficies" #~ msgid "Color by Index" #~ msgstr "Cor segundo o índice" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Cor segundo o índice (vermello, laranxa, marelo, verde, azul, violeta)." #~ msgid "Color by Partial Charge" #~ msgstr "Cor segundo a carga parcial" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Cor segundo a carga atómica parcial (azul = positivo, vermello = " #~ "negativo)." #~ msgid "Custom Color:" #~ msgstr "Cor personalizada:" #~ msgid "Set custom colors for objects" #~ msgstr "Definir cores personalizadas para os obxectos" #~ msgid "Color by Distance" #~ msgstr "Cor segundo a distancia" #~ msgid "Color by distance from the first atom." #~ msgstr "A cor segundo a distancia á que se estea do primeiro átomo." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "A cor segundo o elemento (carbono = gris, oxixeno = vermello ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "A cor segundo o residuo (tipo de aminoácido, hidrofobia, ...)" #~ msgid "SMARTS Pattern:" #~ msgstr "Padrón de SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Cor de realce:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Cor segundo o padrón SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Realza características concretas cun padrón de SMARTS." #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Motores" #~ msgid "Axes" #~ msgstr "Eixos" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Debuxa os eixos x, y e z na pola orixe" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Debuxa as primitivas mediante bólas (átomos) e paus (enlaces)" #~ msgid "Hydrogen Bond" #~ msgstr "Enlaces de hidróxeno" #~ msgid "Renders hydrogen bonds" #~ msgstr "Debuxa os enlaces de hidróxeno" #~ msgid "Select Atom Labels Color" #~ msgstr "Escoller as cores das etiquetas dos átomos" #~ msgid "Select Bond Labels Color" #~ msgstr "Escoller as cores das etiquetas dos enlaces" #~ msgid "Select Bond Labels Font" #~ msgstr "Escoller o tipo de letra das etiquetas dos enlaces" #~ msgid "Polygon" #~ msgstr "Polígono" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Debuxa os átomos como tetraedros, octaedros ou outros polígonos" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Debuxa os esqueletos das proteínas como fitas" #~ msgid "Ring" #~ msgstr "Anel" #~ msgid "Renders rings with colored planes" #~ msgstr "Debuxa os aneis con planos coloreados" #~ msgid "Simple Wireframe" #~ msgstr "Modelo de aramios simple" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "" #~ "Debuxa os enlaces como aramios (liñas), o que é ideal para as moléculas " #~ "grandes" #~ msgid "Van der Waals Spheres" #~ msgstr "Esferas de Van der Waals" #~ msgid "Stick" #~ msgstr "Varela" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Densidade electrónica, isosuperficie = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosuperficie = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Debuxa os enlaces como aramios (liñas), o que é ideal para (bio)moléculas " #~ "moi grandes" #~ msgid "Trajectory files" #~ msgstr "Ficheiros de traxectoria" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Ficheiros HISTORY do DL-POLY" #~ msgid "Open Trajectory File" #~ msgstr "Abrir un ficheiro de traxectoria" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Engadindo a extensión .avi" #~ msgid "Animation..." #~ msgstr "Animación..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Non foi posíbel ler o formato do ficheiro %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Fallou a lectura do ficheiro de traxectoria %1." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Debe indicar un nome de ficheiro .avi válido" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "Non se inicializou correctamente o widget GL para poder gardar vídeo" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Nome non válido de ficheiro de vídeo. Debe incluír toda a rota do cartafol" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Nome non válido de ficheiro de vídeo. Debe incluír a rota completa do " #~ "cartafol e o nome, rematado por .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "" #~ "Non foi posíbel determinar o formato a partir do nome do ficheiro: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Anima traxectorias, reaccións e vibracións." #~ msgid "Cartesian Editor" #~ msgstr "Editor cartesiano" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Non se definiu ningunha cela unidade para a molécula, polo que non se " #~ "poden empregar unidades fraccionarias." #~ msgid "Cartesian Editor..." #~ msgstr "Editor cartesiano..." #~ msgid "Cartesian editor" #~ msgstr "Editor cartesiano" #~ msgid "Number of atoms: %1" #~ msgstr "Número de átomos: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Número de enlaces rotábeis: %1" #~ msgid "Add constraint" #~ msgstr "Engadir unha restrición" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "A molécula debe conter polo menos un átomo para poder engadir unha " #~ "restrición" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "A molécula debe conter polo menos dous átomos para poder engadir unha " #~ "restrición ao enlace" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "A molécula debe conter polo menos tres átomos para poder engadir unha " #~ "restrición ao ángulo" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "A molécula debe conter polo menos catro átomos para poder engadir unha " #~ "restrición á torsión" #~ msgid "&Reduce" #~ msgstr "&Reducir" #~ msgid "&Length Unit" #~ msgstr "Unidade de &lonxitude" #~ msgid "&Angle Unit" #~ msgstr "Unidade &angular" #~ msgid "Hide &Editors" #~ msgstr "Agochar os &editores" #~ msgid "Show &Editors" #~ msgstr "Mostrar os &editores" #~ msgid "Hide &Property Display" #~ msgstr "Agochar a pantalla de &propiedades" #~ msgid "Show &Property Display" #~ msgstr "Mostrar a pantalla de &propiedades" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Tipo do tecido: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Espazo de grupo: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Volume da cela unidade: %L1%2" #~ msgid "Undefined" #~ msgstr "Sen definir" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triclínico" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoclínico" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ortorrómbico" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonal" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Cúbico" #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Non foi posíbel reducir a cela despois de 1000 iteracións do algoritmo de " #~ "redución. Detendo." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Rotar á &orientación estándar" #~ msgid "Perceive Space&group..." #~ msgstr "Percepción do espazo de &grupo" #~ msgid "Set &Spacegroup..." #~ msgstr "Estabelecer o e&spazo de grupo..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Encher a cela unidade" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Encher a cela unidade co actual espazo de grupo." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Si&metrizar cristal" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Reducir a cela (&Primitivo)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometro" #~ msgid "&Picometer" #~ msgstr "&Picometro" #~ msgid "&Degree" #~ msgstr "&Graos" #~ msgid "&Radian" #~ msgstr "&Radiáns" #~ msgid "Display &cartesian coordinates" #~ msgstr "Mostrar as coordenadas &cartesianas" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "" #~ "Conservar as coordenadas &cartesianas durante a modificación da cela" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "" #~ "Conservar as coordenadas &fraccionais durante a modificación da cela" #~ msgid "Display &cartesian matrix" #~ msgstr "Mostrar a matriz &cartesiana" #~ msgid "Display &fractional matrix" #~ msgstr "Mostrar a matriz &fraccional" #~ msgid "Display as &column vectors" #~ msgstr "Mostrar como &columna de vectores" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Non hai estabelecido un espazo de grupo para este documento.\n" #~ "\n" #~ "Desexa estabelecer agora un espazo de grupo?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Detectouse o espazo de grupo : non é posíbel sintetizar este espazo de " #~ "grupo.\n" #~ "\n" #~ "Gustaríalle tentalo de novo cunha tolerancia diferente?" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Envolver os átomos da cela" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Reducir á cela de Niggli" #~ msgid "Crystallography" #~ msgstr "Cristalografía" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Constrúa e analice estruturas periódicas." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "A entrada non está formatada cun dos\n" #~ "seguintes formatos admitidos:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "Formato VASP\n" #~ msgid "Bad Compostion" #~ msgstr "Composición incorrecta" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "O campo de identidade debe conter o mesmo número de entradas de espazo " #~ "delimitado como a liña 6 do POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Coordenadas cartesianas" #~ msgid "Set Unit Cell Params" #~ msgstr "Estabelecer os parámetros da cela unidade" #~ msgid "Please select one or more atoms." #~ msgstr "Seleccione un ou máis átomos." #~ msgid "Trajectory..." #~ msgstr "Traxectoria..." #~ msgid "Open chemical file format" #~ msgstr "Abrir un ficheiro do formato químico" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Ficheiros químicos (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Abrir un ficheiro de parámetros" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Ficheiros químicos (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importar unha traxectoria" #~ msgid "Import trajectory files" #~ msgstr "Importar ficheiros de traxectoria" #~ msgid "Calculate Energy" #~ msgstr "Calcular a enerxía" #~ msgid "Conformer Search..." #~ msgstr "Busca de confórmeros..." #~ msgid "Constraints..." #~ msgstr "Restricións..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Non se pode definir para esta molécula os campo de forzas escollido. " #~ "Múdase para UFF." #~ msgid "Geometric Optimization" #~ msgstr "Optimización da xeometría" #~ msgid "Systematic Rotor Search" #~ msgstr "Busca sistemática de rotores" #~ msgid "Random Rotor Search" #~ msgstr "Busca aleatoria de rotores" #~ msgid "Weighted Rotor Search" #~ msgstr "Busca ponderada de rotores" #~ msgid "ForceField" #~ msgstr "Campo de forzas" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimiza moléculas e xera confórmeros empregando campos de forzas de " #~ "mecánica molecular" #~ msgid "&Vector Graphics..." #~ msgstr "&Gráficos vectoriais..." #~ msgid "Common vector image formats" #~ msgstr "Formatos de imaxe vectorial habituais" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Exportar gráficos de vectores" #~ msgid "Change H to Methyl" #~ msgstr "Substituír un H por un metilo" #~ msgid "H to Methyl" #~ msgstr "H para metilo" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transforma hidróxenos en grupos metilo" #~ msgid "Add or remove hydrogens" #~ msgstr "Engade ou elimina hidróxenos" #~ msgid "Peptide..." #~ msgstr "Péptido..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Inserir secuencias de oligopéptidos" #~ msgid "Invert Chirality" #~ msgstr "Inverter a quiralidade" #~ msgid "InvertChiral" #~ msgstr "InvertChiral" #~ msgid "Invert chiral centers" #~ msgstr "Inverte os centros de quiralidade" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "descoñecido" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Momento dipolar estimado (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Mostra as propiedades moleculares estándar." #~ msgid "Fetch by chemical name..." #~ msgstr "Obter segundo o nome químico..." #~ msgid "Fetch from URL..." #~ msgstr "Obter dun URL..." #~ msgid "PDB Entry" #~ msgstr "Entrada PDB" #~ msgid "PDB entry to download." #~ msgstr "A entrada PDB que se vai obter." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "O URL da molécula que se vai obter." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Non foi posíbel cargar a molécula especificada: %1" #~ msgid "Network Fetch" #~ msgstr "Obtención a través da rede" #~ msgid "Fetch molecule files over the network." #~ msgstr "Obtén ficheiros de molécula a través da rede." #~ msgid "Show Preview" #~ msgstr "Mostrar a vista previa" #~ msgid "Hide Preview" #~ msgstr "Acochar a vista previa" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Gardar a imaxe debuxada por POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Ficheiros de imaxe (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Non se indicou ningún nome válido de ficheiro." #~ msgid "Does not compute." #~ msgstr "Non se computa." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Pediu que non se debuxase directamente empregando POV-Ray e que non se " #~ "conserve o ficheiro de POV-Ray, polo que a imaxe resultante non se ha " #~ "gardar. Desexa realmente isto?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Non é posíbel escribir no ficheiro %1. Ten permisos para escribir nese " #~ "lugar?" #~ msgid "POV-Ray failed to start." #~ msgstr "Fallou a carga de POV-Ray." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "Fallou a carga de POV-Ray. Talvez non se indicase correctamente a rota ao " #~ "executábel." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Crea ficheiros de POV-Ray e debúxaos empregando o programa da liña de " #~ "ordes POV-Ray." #~ msgid "Conformer Properties..." #~ msgstr "Propiedades do confórmero..." #~ msgid "Python Terminal" #~ msgstr "Terminal de Python" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Terminal interactiva de scripting con Python" #~ msgid "Abinit Running." #~ msgstr "Abinit está a executarse." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit non está instalado." #~ msgid "The abinit executable cannot be found." #~ msgstr "Non é posíbel atopar o executábel de Abinit." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit non pode ser iniciado. É probábel que non estea instalado " #~ "correctamente." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit non está a executarse correctamente. É probábel que a instalación " #~ "non sexa correcta." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Aviso do xerador de ficheiros de entrada de Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Desexa actualizar o texto de previsualización, perdendo todas as " #~ "modificacións feitas no panel de vista previa do ficheiro de entrada de " #~ "Dalton?" #~ msgid "QM Matches" #~ msgstr "Acertos da QM" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Selección de EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Escolla para QM..." #~ msgid "Delete" #~ msgstr "Borrar" #~ msgid "You must make a selection!" #~ msgstr "Debe facer unha selección." #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Non está dispoñíbel a conversión de SMILES" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "A conversión do formato SMILES non está dispoñíbel!" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "" #~ "Crear ficheiros de entrada para o paquete de química cuántica GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Modificouse a configuración avanzada" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Modificouse a configuración avanzada.\n" #~ "Desexa descartala?" #~ msgid "Advanced Settings Reset" #~ msgstr "Restaurar a configuración avanzada" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Desexa realmente restaurar a configuración avanzada?\n" #~ "Perderanse todas as modificacións." #~ msgid "Basic Settings Reset" #~ msgstr "Restaurar a configuración básica" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Desexa realmente restaurar a configuración básica?\n" #~ "Perderanse todas as modificacións." #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Aviso do xerador de ficheiros de lotes de entrada do GAMESS" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Desexa actualizar o texto de previsualización, perdendo todas as " #~ "modificacións que fixese no panel de vista previa do ficheiro de entrada " #~ "do GAMESS-UK?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Ficheiro de entrada do GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Aviso do xerador de ficheiros de lotes de entrada do Gaussian" #~ msgid "Gaussian Input Deck" #~ msgstr "Ficheiro de entradas do Gaussian" #~ msgid "Gaussian Running." #~ msgstr "O Gaussian está a executarse." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "O Gaussian xa se está a executar. Agarde até que remate o anterior " #~ "cálculo." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian non está instalado." #~ msgid "The G03 executable, cannot be found." #~ msgstr "Non foi posíbel atopar o executábel do G03." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 non se iniciou, talvez non estea correctamente instalado." #~ msgid "Running Gaussian calculation..." #~ msgstr "A executar un cálculo co Gaussian..." #~ msgid "G03 Crashed." #~ msgstr "G03 pechouse inesperadamente." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian non se executou correctamente, talvez non estea correctamente " #~ "instalado." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Aviso do xerador de ficheiros de entrada do Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Desexa actualizar o texto de previsualización, perdendo todas as " #~ "modificacións que fixese no panel de vista previa do ficheiro de entrada " #~ "do Molpro?" #~ msgid "Molpro Input Deck" #~ msgstr "Ficheiro de entradas do Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Aviso de entrada do MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Ficheiro de entradas do MOPAC" #~ msgid "MOPAC Running." #~ msgstr "MOPAC está a executarse." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "O MOPAC xa se está a executar. Agarde até que remate o anterior cálculo." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC non está instalado." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Non foi posíbel atopar o executábel do MOPAC." #~ msgid "MOPAC failed to start." #~ msgstr "Fallou o inicio de MOPAC." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC non se iniciou, talvez non estea correctamente instalado." #~ msgid "Running MOPAC calculation..." #~ msgstr "A executar un cálculo co MOPAC..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC pechouse inesperadamente." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC non se executou correctamente, talvez non estea correctamente " #~ "instalado." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Aviso do xerador de ficheiros de entrada do NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Desexa actualizar o texto de previsualización, perdendo todas as " #~ "modificacións que fixese no panel de vista previa do ficheiro de entrada " #~ "do NWChem?" #~ msgid "NWChem Input Deck" #~ msgstr "Ficheiro de entradas do NWChem" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Aviso do xerador de ficheiros de entrada do Q-Chem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Desexa actualizar o texto de previsualización, perdendo todas as " #~ "modificacións que fixese no panel de vista previa do ficheiro de entrada " #~ "do Q-Chem?" #~ msgid "QChem Input Deck" #~ msgstr "Ficheiro de entradas do QChem" #~ msgid "Select SMARTS..." #~ msgstr "Escoller o SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Engadir unha escolla con nome..." #~ msgid "SMARTS Selection" #~ msgstr "Selección de SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Padrón do SMARTS a escoller" #~ msgid "There is no current selection." #~ msgstr "Non hai nada escollido." #~ msgid "Add Named Selection" #~ msgstr "Engadir unha escolla con nome" #~ msgid "Name cannot be empty." #~ msgstr "O nome non pode estar en branco." #~ msgid "There is already a selection with this name." #~ msgstr "Xa hai unha escolla con ese nome." #~ msgid "Selections" #~ msgstr "Escollas" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Escoller átomos, enlaces, residuos..." #~ msgid "GLSL Shaders..." #~ msgstr "Sombreadores GLSL..." #~ msgid "Open a vertex shader source file" #~ msgstr "Abre un ficheiro de código fonte de sombreador de vértices" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Ficheiros de sombreador de vértices (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Abre un ficheiro de código fonte de sombreador de fragmentos" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Ficheiros de sombreador de fragmentos (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Abrir un ficheiro de parámetros do sombreador" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Ficheiros de parámetros do sombreador (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "Sombreadores GLSL" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Carga e emprega sombreadores GLSL de OpenGL 2.0" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensidade (uds. arbitrarias)" #~ msgid "Density of States (states/cell)" #~ msgstr "Densidade de estados (estados/cela)" #~ msgid "Density of States (states/atom)" #~ msgstr "Densidade de estados (estados/átomo)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Densidade de estados (estados/valencia electrónica)" #~ msgid "Transmittance (%)" #~ msgstr "Transmitancia (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbancia (%)" #~ msgid "No intensities" #~ msgstr "Non hai intensidades" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Os datos de vibración da molécula que cargou non posúen ningún dato de " #~ "intensidade. Definíronse valores de intensidade arbitrarios para permitir " #~ "a visualización." #~ msgid "Activity" #~ msgstr "Actividade" #~ msgid "X Axis" #~ msgstr "Eixo X" #~ msgid "Y Axis" #~ msgstr "Eixo Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Configuración do espectro de &infravermellos" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "RMN" #~ msgid "&NMR Spectra Settings" #~ msgstr "Configuración do espectro de &RMN" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DDE" #~ msgid "&UV Settings" #~ msgstr "Configuración do &UV" #~ msgid "&CD Settings" #~ msgstr "Configuración do &CD" #~ msgid "&Raman Settings" #~ msgstr "Configuración de &Raman" #~ msgid "No data" #~ msgstr "Non hai datos" #~ msgid "Dark" #~ msgstr "Escuro" #~ msgid "Publication" #~ msgstr "Publicación" #~ msgid "Handdrawn" #~ msgstr "Debuxado á mao" #~ msgid "New Scheme" #~ msgstr "Esquema novo" #~ msgid "Confirm Scheme Removal" #~ msgstr "Confirme a eliminación do esquema" #~ msgid "Really remove current scheme?" #~ msgstr "Desexa realmente eliminar este esquema?" #~ msgid "Change Scheme Name" #~ msgstr "Mudar o nome do esquema" #~ msgid "Enter new name for current scheme:" #~ msgstr "Introduza o nome novo do esquema actual:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Valores separados por tabuladores (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Valores separados por tabuladores" #~ msgid "Comma Separated Values" #~ msgstr "Valores separados por vírgulas" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Extensión descoñecida: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "Datos IR do PWscf (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Datos IR do Turbomole (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Datos UV do Turbomole (espectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Datos CD do Turbomole (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Formato dos datos" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Formato:" #~ msgid "Load Spectral Data" #~ msgstr "Cargar datos espectrais" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "O ficheiro CD do Turbomole está formatado incorrectamente: %1" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Formato TIFF" # skip-rule: PT-2010-window #~ msgid "Windows Bitmap" #~ msgstr "Bitmap de Windows" #~ msgid "Portable Pixmap" #~ msgstr "Mapa de Píxeis Portábel" #~ msgid "X11 Bitmap" #~ msgstr "Mapa de bits de X11" #~ msgid "X11 Pixmap" #~ msgstr "Mapa de píxeles de X11" #~ msgid "Save Spectra Image" #~ msgstr "Gardar a imaxe espectral" #~ msgid "&Advanced <<" #~ msgstr "&Avanzado <<" #~ msgid "&Advanced >>" #~ msgstr "&Avanzado >>" #~ msgid "&Spectra..." #~ msgstr "&Espectros..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Visualiza datos espectrais obtidos de cálculos químicos cuánticos" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Análise vibracional" #~ msgid "No vibrational displacements exist." #~ msgstr "Non existe ningún desprazamento por vibración." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "" #~ "Visualiza os modos de vibración obtidos de cálculos químicos cuánticos" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Ordenando %1 vibracións segundo a frecuencia..." #~ msgid "Pause" #~ msgstr "Pausar" #~ msgid "Super Cell Builder..." #~ msgstr "Construtor de super celas..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Este documento actualmente é unha molécula isolada, debe crear unha cela " #~ "unidade." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Constrúe e mostra super celas cristalográficas" #~ msgid "Molecular Orbitals..." #~ msgstr "Orbitais moleculares..." #~ msgid "Orbitals" #~ msgstr "Orbitais" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Nada" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Densidade electrónica" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Erro: tipo indefinido" #~ msgid "Calculating VdW Cube" #~ msgstr "Calculando o cubo de VdW" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Calculando o OM %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Calcula orbitais moleculares e outras superficies" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "Non se inicializou correctamente o widget GL para poder gravar un vídeo" #~ msgid "GL widget has no molecule" #~ msgstr "O widget Gl non ten ningunha molécula" #~ msgid "Building video " #~ msgstr "A construír o vídeo " #~ msgid "Could not run mencoder." #~ msgstr "Non foi posíbel executar o mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Definir as proporcións" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "A escena actual do Avogadro ten %1x%2 píxeles polo que ten unhas " #~ "proporcións de %3.\n" #~ "Pode manter este valor, por exemplo para empregar o POV-Ray para xerar " #~ "unha imaxe de %4x1000 píxeles, ou pode introducir calquera outro valor " #~ "positivo,\n" #~ "por exemplo 1 se vai empregar o POV-Ray para xerar unha imaxe cadrada, " #~ "como de 1000x1000 píxeles." #~ msgid "Connect" #~ msgstr "Conectar" #~ msgid "Disconnect" #~ msgstr "Desconectar" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Seguimento coa Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Segue o movemento empregando mandos sen fíos da Wii" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "O contexto de OpenGL non é válido.\n" #~ "Ou hai algo completamente errado da configuración de OpenGL (pode " #~ "executar algún programa OpenGL?) ou atopou un erro." #~ msgid "Debug Information" #~ msgstr "Información de depuración" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Tamaño da vista: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Átomos: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: o índice %1 está fóra do alcance." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Non se permite ler de ficheiros do tipo «%1»." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Non se permite ler os ficheiros do tipo do «%1»." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Fallou a lectura da molécula co índice %1 do ficheiro «%2»." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "replaceMolecule: o índice %1 está fóra do alcance." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Non se permite escribir de ficheiros do tipo «%1»." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Non se permite escribir de ficheiros do tipo do «%1»." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Non foi posíbel abrir o ficheiro «%1» para lectura" #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Fallou a substitución da molécula co índice %1 no ficheiro «%2»." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Non foi posíbel abrir o ficheiro %1 para lectura." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Non foi posíbel abrir o ficheiro «%1» para escribir nel." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Fallou a garda do ficheiro de molécula: non foi posíbel cambiar o nome do " #~ "ficheiro orixinal." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Fallou a garda do ficheiro de molécula: non foi posíbel cambiar o nome do " #~ "novo ficheiro." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Fallou a garda do ficheiro de molécula: non foi posíbel borrar o ficheiro " #~ "vello." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Fallou a escrita dunha molécula no ficheiro «%1». Fallou a función do " #~ "OpenBabel." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Non foi posíbel abrir o ficheiro «%1» para escribir nel." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Fallou a escrita dos confórmeros no ficheiro «%1»." #~ msgid "Molecule %1" #~ msgstr "Molécula %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Motor de Python descoñecido" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: comprobando " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " , o script non ten definida a clase «Engine»" #~ msgid " - no module" #~ msgstr " , non hai módulo" #~ msgid "Unknown Python Extension" #~ msgstr "Extensión descoñecida de Python" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: comprobando " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " , o script non ten definida a clase «Extension»" #~ msgid "Unknown Python Tool" #~ msgstr "Utilidade descoñecida de Python" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: comprobando " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " , o script non ten definida a clase «Tool»" #~ msgid "Tools" #~ msgstr "Utilidades" #~ msgid "Align:" #~ msgstr "Aliñar:" #~ msgid "Everything" #~ msgstr "Todo" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Non foi posíbel configurar o campo de forzas..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Núm. de restricións: %1" #~ msgid "Steps per Update:" #~ msgstr "Pasos por actualización:" #~ msgid "Algorithm:" #~ msgstr "Algoritmo:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Dinámica molecular (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dinámica molecular (900K)" #~ msgid "Start" #~ msgstr "Comezar" #~ msgid "Fixed atoms are movable" #~ msgstr "Os átomos fixos poden moverse" #~ msgid "Ignored atoms are movable" #~ msgstr "Os átomos ignorados poden moverse" #~ msgid "AutoOpt Molecule" #~ msgstr "Optimizar automaticamente a molécula" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Optimización automática da xeometría molecular" #~ msgid "AutoOptimization Settings" #~ msgstr "Configuración da optimización" #~ msgid "Auto Rotation Tool" #~ msgstr "Utilidade de rotación automática" #~ msgid "x rotation:" #~ msgstr "Rotación en X:" #~ msgid "x rotation" #~ msgstr "rotación en X" #~ msgid "y rotation:" #~ msgstr "Rotación en Y:" #~ msgid "y rotation" #~ msgstr "rotación en y" #~ msgid "z rotation:" #~ msgstr "Rotación en Z:" #~ msgid "z rotation" #~ msgstr "rotación en Z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Rotación automática das moléculas" #~ msgid "AutoRotate Settings" #~ msgstr "Configuración da rotación automática" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Lonxitude do enlace: %L1" #~ msgid " Show Angles" #~ msgstr " Mostrar os ángulos" #~ msgid "Snap-to Threshold: " #~ msgstr "Axustar ao límite: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Manipular o enlace central" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulación de lonxitudes, ángulos e torsións de enlace" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Configuración da manipulación de enlaces" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distancia (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distancia (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Ángulo diedro: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distancia(s):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Mide as lonxitudes, ángulos e diedros dos enlaces" #~ msgid "Draw Bond" #~ msgstr "Debuxar un enlace" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Debuxar e editar átomos e enlaces" #~ msgid "Draw Settings" #~ msgstr "Configuración do debuxo" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Traslade, rote e axuste os átomos e fragmentos" #~ msgid "Manipulate Settings" #~ msgstr "Configuración da manipulación" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Traslade, rote e amplíe a vista actual" #~ msgid "Navigate Settings" #~ msgstr "Configuración da navegación" #~ msgid "Selection Mode:" #~ msgstr "Modo de selección:" #~ msgid "Atom/Bond" #~ msgstr "Átomo/Enlace" #~ msgid "Residue" #~ msgstr "Residuo" #~ msgid "Change color of the atom" #~ msgstr "Cambiar a cor do átomo" #~ msgid "Change label of the atom" #~ msgstr "Cambiar a etiquetas do átomo" #~ msgid "Change label of the bond" #~ msgstr "Cambiar a etiquetas do enlace" #~ msgid "Change radius of the atom" #~ msgstr "Cambiar o raio do átomo" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Novo raio, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Escolle átomos, residuos e moléculas" #~ msgid "Symbol" #~ msgstr "Símbolo" #~ msgid "Bond Length" #~ msgstr "Lonxitude do enlace" #~ msgid "Dihedral Angle" #~ msgstr "Ángulo diedro" #~ msgid "Z Matrix Editor..." #~ msgstr "Editor da matriz Z..." #~ msgid "Z-Matrix" #~ msgstr "Matriz Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Crear/Editar unha matriz Z" #~ msgid "Z-Matrix Settings" #~ msgstr "Configuración da matriz Z" #~ msgid "Color residues by:" #~ msgstr "Cor dos residuos segundo:" #~ msgid "Hydrophobicity" #~ msgstr "Hidrofobicidade" #~ msgid "Axes:" #~ msgstr "Eixos:" #~ msgid "Cartesian Axes" #~ msgstr "Eixos cartesianos" #~ msgid "Orthogonal Axes" #~ msgstr "Eixos ortogonais" #~ msgid "Axis 1:" #~ msgstr "Eixo 1:" #~ msgid "Axis 2:" #~ msgstr "Eixo 2:" #~ msgid "Axis 3:" #~ msgstr "Eixe %1" #~ msgid "Norm" #~ msgstr "Norma" #~ msgid "Preserve vector norms" #~ msgstr "Preservar as normas dos vectores" #~ msgid "Atom Radius:" #~ msgstr "Raio atómico:" #~ msgid "Bond Radius:" #~ msgstr "Raio do enlace:" #~ msgid "Shape" #~ msgstr "Forma" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Bucle" #~ msgid "Dipole:" #~ msgstr "Dipolo:" #~ msgid "Custom Vector" #~ msgstr "Vector personalizado" #~ msgid "Custom:" #~ msgstr "Personalizado:" #~ msgid "Cut-off radius:" #~ msgstr "Raio de corte:" #~ msgid "Cut-off angle:" #~ msgstr "Ángulo de corte:" #~ msgid "Rendering Engine:" #~ msgstr "Motor de renderización:" #~ msgid "TextRenderer" #~ msgstr "TextRenderer" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Texto:" #~ msgid "Symbol & Number in Group" #~ msgstr "Símbolo e número nun grupo" #~ msgid "Symbol & Atom number" #~ msgstr "Símbolo e número atómico" #~ msgid "Residue number" #~ msgstr "Número do residuo" #~ msgid "Custom data" #~ msgstr "Datos personalizados" #~ msgid "Change Font" #~ msgstr "Cambiar o tipo de letra" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Cambio de etiqueta:" #~ msgid "Bond length" #~ msgstr "Lonxitude do enlace" #~ msgid "Bond number" #~ msgstr "Número do enlace" #~ msgid "Bond order" #~ msgstr "Orde do enlace" #~ msgid "Radius:" #~ msgstr "Raio:" #~ msgid "Include Nitrogens" #~ msgstr "Incluír os nitróxenos" #~ msgid "VdW Opacity:" #~ msgstr "Opacidade de VdW:" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Render:" #~ msgstr "Debuxar:" #~ msgid "Fill" #~ msgstr "Encher" #~ msgid "Points" #~ msgstr "Puntos" #~ msgid "Draw Box:" #~ msgstr "Caixa de debuxo:" #~ msgid "Mapped Colors" #~ msgstr "Cores mapeadas" #~ msgid "Positive" #~ msgstr "Positivo" #~ msgid "Negative" #~ msgstr "Negativo" #~ msgid "Show Atoms" #~ msgstr "Mostrar os átomos" #~ msgid "Animate Trajectory" #~ msgstr "Animas a traxectoria" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Bucle" #~ msgid "Save as .avi..." #~ msgstr "Gardar como .avi..." #~ msgid "Angstroms" #~ msgstr "Angstroms" #~ msgid "Bohrs" #~ msgstr "Bohrs" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "XYX, só as coordenadas" #~ msgid "GAMESS Input #2" #~ msgstr "Entrada de GAMESS núm. 2" #~ msgid "Priroda Input" #~ msgstr "Entrada de Priroda" #~ msgid "Apply Changes" #~ msgstr "Aplicar as modificacións" #~ msgid "Cut All" #~ msgstr "Cortar todo" #~ msgid "Paste to the End" #~ msgstr "Pegar até o final" #~ msgid "(None)" #~ msgstr "(Ningunha)" #~ msgid "Sort by " #~ msgstr "Ordenar segundo " #~ msgid "Number of atoms:" #~ msgstr "Número de átomos:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Número de enlaces rotacionais:" #~ msgid "Ignore Atom" #~ msgstr "Ignorar o átomo" #~ msgid "Fix Atom" #~ msgstr "Fixar o átomo" #~ msgid "Fix Atom X" #~ msgstr "Fixar o átomo X" #~ msgid "Fix Atom Y" #~ msgstr "Fixar o átomo Y" #~ msgid "Fix Atom Z" #~ msgstr "Fixar o átomo Z" #~ msgid "Torsion angle" #~ msgstr "Ángulo de torsión" #~ msgid "Add" #~ msgstr "Engadir" #~ msgid "Save" #~ msgstr "Gardar" #~ msgid "Load" #~ msgstr "Cargar" #~ msgid "Atomic &identites:" #~ msgstr "&Identidades atómicas" #~ msgid "by arbitrary vector" #~ msgstr "segundo un vector arbitrario" #~ msgid "Translation vector:" #~ msgstr "Vector de translación :" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "&Unidades do vector :" #~ msgid "Cartesian" #~ msgstr "Cartesiano" #~ msgid "&Translate" #~ msgstr "&Transladar" #~ msgid "All" #~ msgstr "Todos" #~ msgid "File Import..." #~ msgstr "Importar un ficheiro..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Tenta ver os enlaces?" #~ msgid "Setup Force Field" #~ msgstr "Configurar o campo de forzas" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Cantidade de pasos:" #~ msgid "Algorithm" #~ msgstr "Algoritmo" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Arxinina" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Asparaxina" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "Ácido aspártico" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Cisteína" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "Ácido glutámico" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Glutamina" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Glicina" #~ msgid "Gly" #~ msgstr "Gly" #~ msgid "Histidine" #~ msgstr "Histidina" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "Isoleucina" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyr" #~ msgstr "Tyr" #~ msgid "Tryptophan" #~ msgstr "Triptofano" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "Treonina" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "Serina" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Prolina" #~ msgid "Phenylalanine" #~ msgstr "Fenilalanina" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "Metionina" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Lisina" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "Leucina" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "Secuencia (de N até C):" #~ msgid "Stereochemistry:" #~ msgstr "Estereoquímica:" #~ msgid "L" #~ msgstr "L" #~ msgid "N Terminus:" #~ msgstr "N terminal:" #~ msgid "C Terminus:" #~ msgstr "C terminal:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Straight Chain" #~ msgstr "Cadea recta" #~ msgid "Alpha Helix" #~ msgstr "Hélice alfa" #~ msgid "Beta Sheet" #~ msgstr "Folla beta" #~ msgid "Pi Helix" #~ msgstr "Hélice Pi" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "Chain Number:" #~ msgstr "Número da cadea:" #~ msgid "The chain number for the new peptide" #~ msgstr "O número da cadea do novo péptido" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Número de residuos:" #~ msgid "Dipole Moment (D):" #~ msgstr "Momento dipolar (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Avanzado" #~ msgid "Grid" #~ msgstr "Grella" #~ msgid "POV-Ray Export" #~ msgstr "Exportar a POV-Ray" #~ msgid "Select..." #~ msgstr "Escoller..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "qwe,+ r¡v153" #~ msgid "Antialias" #~ msgstr "Antialias" #~ msgid "Set the background color to be transparent" #~ msgstr "Define a cor de fondo como transparente" #~ msgid "Alpha transparency" #~ msgstr "Transparencia alfa" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "" #~ "Debuxa a molécula directamente empregando a liña de ordes do POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Mantén a fonte do POV-Ray tras completar o debuxo" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Manter a fonte do POV-Ray tras debuxar" #~ msgid "Path:" #~ msgstr "Ruta:" #~ msgid "Abinit Input" #~ msgstr "Entrada de Abinit" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Cartesiano (Angstrom)" #~ msgid "Reduced" #~ msgstr "Reducido" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Tolerancia nas forzas (Ha/bohr) :" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Número de bandas:" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Wave Function norm" #~ msgstr "Norma da función de onda" #~ msgid "Relative Force" #~ msgstr "Forza relativa" #~ msgid "1 - semiconducting" #~ msgstr "1 - semiconductor" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - ningún ión móbil " #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS con enerxía" #~ msgid "# Geometrical time steps:" #~ msgstr "# Intervalos de tempo xeométricos:" #~ msgid "Compute..." #~ msgstr "Calcular..." #~ msgid "Basics" #~ msgstr "Fundamentos" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Engade á liña de título do ficheiro de entrada o que escriba, para " #~ "servirlle\n" #~ "de información." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Estilo Pople" #~ msgid "Jensen's polarization consistent" #~ msgstr "Consistente coa polarización de Jensen" #~ msgid "Dunning's correlation consistent" #~ msgstr "Consistente coa correlación de Dunning" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Funcións de correlación do core" #~ msgid "Diffuse functions" #~ msgstr "Funcións difusas" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Directo" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Executa en paralelo cando se poida, pero só se pode para cálculos de " #~ "funcións\n" #~ "de onda SCF e DFT. A versión actual de Dalton só soporta MPI e debe\n" #~ "estar compilado e instalado correctamente. O número de nodos defínese " #~ "empregando\n" #~ "a opción «-N #» cando se executa o script «dalton»." #~ msgid "Parallel" #~ msgstr "Paralelo" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Especificación da grella" #~ msgid "Partitioning Scheme:" #~ msgstr "Esquema de particionamento:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (orixinal)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Calidade da grella:" #~ msgid "coarse" #~ msgstr "groseira" #~ msgid "normal" #~ msgstr "normal" #~ msgid "fine" #~ msgstr "fino" #~ msgid "ultrafine" #~ msgstr "ultrafino" #~ msgid "Radial Scheme:" #~ msgstr "Esquema radial:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Mostrar todas as funcionais" #~ msgid "Property:" #~ msgstr "Propiedade:" #~ msgid "Polarizability" #~ msgstr "Polarizabilidade" #~ msgid "Frequency Dependent" #~ msgstr "Dependente da frecuencia" #~ msgid "No. excitations:" #~ msgstr "Núm. excitacións:" #~ msgid "EFP Matches" #~ msgstr "Coincidencias EFP" #~ msgid "Group Label:" #~ msgstr "Etiqueta do grupo:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "Configuración &avanzada" #~ msgid "Hessian" #~ msgstr "Hessiano" #~ msgid "Stat Point" #~ msgstr "Punto de estado" #~ msgid "System" #~ msgstr "Sistema" #~ msgid "MO Guess" #~ msgstr "Estimación do OM" #~ msgid "Misc" #~ msgstr "Diversos" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Funcións de polarización de átomos pesados:" #~ msgid "Read" #~ msgstr "Ler" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Orbital S difuso nos átomos pesados" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Orbital L difuso nos átomos pesados" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Valencia dupla zeta" #~ msgid "Dunning/Hay DZ" #~ msgstr "DZ de Dunning/Hay" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Valencia tripla zeta" #~ msgid "SBKJA Valence" #~ msgstr "Valencia SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "Valencia de Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Tipo de ECP:" #~ msgid "Default" #~ msgstr "Predeterminado" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Funcións de polarización de átomos pesados:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#Funcións de polarización dos átomos lixeiros:" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Max SCF Iterations:" #~ msgstr "Número máximo de iteracións SCF:" #~ msgid "Gradient" #~ msgstr "Gradiente" #~ msgid "Trudge" #~ msgstr "Marcha" #~ msgid "Saddle Point" #~ msgstr "Punto de cadeira" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Gradiente extremo" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Momento de transición radiativa" #~ msgid "Spin Orbit" #~ msgstr "Orbita de spin" #~ msgid "Finite Electric Field" #~ msgstr "Campo eléctrico finito" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Optimización global" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Optimización FMO" #~ msgid "Raman Intensities" #~ msgstr "Intensidades de Raman" #~ msgid "Make EFP" #~ msgstr "Facer EFP" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Ningún (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Tipo de SCF:" #~ msgid "Localization Method:" #~ msgstr "Método de localización:" #~ msgid "Exec Type:" #~ msgstr "Tipo de execución:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Determinante do Lab. de Ames" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Espazo activo múltiplo restrinxido pola ocupación" #~ msgid "CI Singles" #~ msgstr "CI individuais" #~ msgid "Full Second Order CI" #~ msgstr "CI completo de segunda orde" #~ msgid "General CI" #~ msgstr "CI xeral" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: CC linearizada" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC con pares" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC con individuais e pares" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Execución normal" #~ msgid "Check" #~ msgstr "Verificar" #~ msgid "Debug" #~ msgstr "Depurar" #~ msgid "Molecule Charge:" #~ msgstr "Carga da molécula:" #~ msgid "Run Type:" #~ msgstr "Tipo de execución:" #~ msgid "Use MP2" #~ msgstr "Empregar MP2" #~ msgid "Use DFT" #~ msgstr "Empregar DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "Número de variábeis da matriz Z" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Ordo do eixo principal:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Coordenadas cartesiana únicas" #~ msgid "Hilderbrant internals" #~ msgstr "Internas de Hilderbrant" #~ msgid "MOPAC Z-Matrix" #~ msgstr "Matriz Z do MOPAC" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Empregar simetría durante o cálculo" #~ msgid "Point Group:" #~ msgstr "Grupo puntual:" #~ msgid "Minutes" #~ msgstr "Minutos" #~ msgid "Hours" #~ msgstr "Horas" #~ msgid "Days" #~ msgstr "Días" #~ msgid "Weeks" #~ msgstr "Semanas" #~ msgid "Years" #~ msgstr "Anos" #~ msgid "Millenia" #~ msgstr "Milenios" #~ msgid "MegaWords" #~ msgstr "Megapalabras" #~ msgid "MegaBytes" #~ msgstr "Megabytes" #~ msgid "GigaWords" #~ msgstr "Gigapalabras" #~ msgid "GigaBytes" #~ msgstr "Gigabytes" #~ msgid "Force Parallel Methods" #~ msgstr "Forzar o uso de métodos paralelos" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Producir ficheiros «core» ao interromper" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memoria:" #~ msgid "Diagonalization Method:" #~ msgstr "Método de diagonalización:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Tipo de repartición da carga en paralelo" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Bucle" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Seguinte valor" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Usar a representación externa dos datos nas mensaxes" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "OM lido ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "OM gardado (DICTNRY)" #~ msgid "Skip" #~ msgstr "Omitir" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Rotar os orbitais alfa e beta" #~ msgid "Print the Initial Guess" #~ msgstr "Mostrar a estimación inicial" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Interface de GAMESS para outros códigos" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Forzar unha verificación do tipo de execución" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (Versión do UK)" #~ msgid "Solvate with Water" #~ msgstr "Solvatar con auga" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Xerar orbitais UHF naturais" #~ msgid "Direct SCF" #~ msgstr "SCF directo" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Calcular só o modificado na matriz de Fock" #~ msgid "Slater exchange" #~ msgstr "Intercambio de Slater" #~ msgid "Becke 1988 exchange" #~ msgstr "Intercambio de Becke 1988" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Correlación de Vosko-Wilk-Nusair (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Correlación de Lee-Yang-Parr" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Intercambio de Slater + correlación de VWN" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: Intercambio de BECKE + correlación de VWN5" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: Intercambio de BECKE + correlación de LYP" #~ msgid "Gill 1996 exchange" #~ msgstr "Intercambio de Gill 1996" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Intercambio de Perdew-Burke-Ernzerhof (PBE)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: Correlación progresiva de un parámetro" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + correlación de Lee-Yang-Parr (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + correlación de OP" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: intercambio de BECKE + correlación de OP" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: intercambio de GILL + correlación de VWN5" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: intercambio de GILL + correlación de LYP" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: intercambio de PBE + correlación de VWN6" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: intercambio de PBE + correlación de LYP" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: intercambio de PBE + correlación de OP" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: Intercambio de HF e BECKE + correlación de LYP" #~ msgid "Grid-Free" #~ msgstr "Sen grella" #~ msgid "AO Integral Storage" #~ msgstr "Almacén integral AO" #~ msgid "Duplicated on Each Node" #~ msgstr "Duplicado en cada nodo" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distribuído por todos os nodos" #~ msgid "words" #~ msgstr "palabras" #~ msgid "Compute MP2 Properties" #~ msgstr "Calcular as propriedades MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Límite de retención integral:" #~ msgid "Use Localized Orbitals" #~ msgstr "Usar orbitais localizados" #~ msgid "# of Core Electrons:" #~ msgstr "Número de electróns do núcleo:" #~ msgid "Transformation Method" #~ msgstr "Método de transformación" #~ msgid "Two Phase Bin Sort" #~ msgstr "Ordenación binaria en dúas fases" #~ msgid "Segmented Transformation" #~ msgstr "Transformación segmentada" #~ msgid "Numeric" #~ msgstr "Numérico" #~ msgid "Double Differenced Hessian" #~ msgstr "Hessiana dupla diferenciada" #~ msgid "Print Internal Force Constants" #~ msgstr "Mostrar as constantes de forma interna" #~ msgid "Displacement Size:" #~ msgstr "Tamaño do desprazamento:" #~ msgid "Purify Hessian" #~ msgstr "Purificar a hessiana" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Hessiana inicial" #~ msgid "Guess (+ define)" #~ msgstr "Estimar (+ definir)" #~ msgid "Read (from $HESS)" #~ msgstr "Ler (de $HESS)" #~ msgid "Update Step Size" #~ msgstr "Actualizar o tamaño do paso" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Mostrar os orbitais en cada iteración" #~ msgid "Stationary Point" #~ msgstr "Punto estacionario" #~ msgid "Initial:" #~ msgstr "Inicial:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Optimización da función racional" #~ msgid "Quadratic Approximation" #~ msgstr "Aproximación cadrática" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Optimización restrinxida" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Recalcular a hessiana a cada:" #~ msgid "Follow Mode:" #~ msgstr "Modo de seguimento:" #~ msgid "GAMESS-UK Input" #~ msgstr "Entrada do GAMESS-UK" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Entrada do GAMESS-UK xerada por Avogadro" #~ msgid "Transition State Search" #~ msgstr "Busca do estado de transición" #~ msgid "Basis:" #~ msgstr "Base:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Matriz Z" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "No modo directo as integrais non se gardan no disco senón que se " #~ "recalculan segundo fagan falla.\n" #~ "Nos ordenadores modernos, con procesadores rápidos e discos lentos, o " #~ "directorio xeralmente é máis rápido." #~ msgid "Run in direct mode:" #~ msgstr "Executar no modo directo:" #~ msgid "Gaussian Input" #~ msgstr "Entrada do Gaussian" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Estándar" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Punto de control:" #~ msgid "Z-matrix (compact)" #~ msgstr "Matriz Z (compacta)" #~ msgid "MOLPRO Input" #~ msgstr "Entrada do MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Versión do Molpro:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "Quartet" #~ msgstr "Cuarteto" #~ msgid "Quintet" #~ msgstr "Quinteto" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Entrada de NWChem" #~ msgid "Q-Chem Input" #~ msgstr "Entrada do Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Load Shaders" #~ msgstr "Cargar sombreadores" #~ msgid "Shader Name:" #~ msgstr "Nome da sombra:" #~ msgid "Vertex Shader:" #~ msgstr "Sombra de vértices:" #~ msgid "Fragment Shader:" #~ msgstr "Sombra por anacos:" #~ msgid "Assign Shader" #~ msgstr "Asignar un sombreador" #~ msgid "Display Type:" #~ msgstr "Tipo de visualización:" #~ msgid "Font:" #~ msgstr "Tipo de letra:" #~ msgid "Change Font..." #~ msgstr "Cambiar o tipo de letra..." #~ msgid "New..." #~ msgstr "Novo..." #~ msgid "Rename..." #~ msgstr "Renomear..." #~ msgid "&Schemes:" #~ msgstr "E&squemas:" #~ msgid "&DPI:" #~ msgstr "&PPP:" #~ msgid "&Width:" #~ msgstr "&Largura:" #~ msgid "&Height" #~ msgstr "&Altura" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "polg" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Usa un valor optimizado para o tamaño da letra no canto do indicado polo " #~ "esquema (os tamaños da pantalla non se traducen ben a puntos da imaxe!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "&Axustar automaticamente o tamaño da letra" #~ msgid "Spectra Tab" #~ msgstr "Lapela de espectros" #~ msgid "&Gaussian Width:" #~ msgstr "Largura do &Gaussian:" #~ msgid "&Label peaks" #~ msgstr "&Etiquetar os picos" #~ msgid "Rotatory Strength type:" #~ msgstr "Tipo de forza rotatoria:" #~ msgid "Energy units:" #~ msgstr "Unidades de enerxía:" #~ msgid "Density units" #~ msgstr "Unidades de densidade" #~ msgid "Fermi Energy: " #~ msgstr "Enerxía de Fermi: " #~ msgid "States / Cell" #~ msgstr "Estados / Cela" #~ msgid "States / Atom" #~ msgstr "Estados / Átomo" #~ msgid "States / Valence electron" #~ msgstr "Estados / Electrón de valencia" #~ msgid "Fermi energy at zero" #~ msgstr "Enerxía de Fermi no cero" #~ msgid "Scale integrated DOS" #~ msgstr "Escalar o DOS integrado" #~ msgid "Show integrated DOS" #~ msgstr "Mostrar o DOS integrado" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "Unidades do eixo &Y:" #~ msgid "Scaling Type:" #~ msgstr "Tipo de escalado:" #~ msgid "Relative" #~ msgstr "Relativo" #~ msgid "Laser Wavenumber:" #~ msgstr "Número de onda do láser:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Gaussian &Width:" #~ msgstr "Largura do &Gaussian:" #~ msgid "Reset &Plot Axes" #~ msgstr "Restaurar os &eixos do debuxo" #~ msgid "Label Peaks:" #~ msgstr "Etiquetar os picos:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Vibracións moleculares" #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Actividade (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Mostrar os espectros..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "as vibracións de maior frecuencia exhibirán movementos máis rápidos" #~ msgid "Animation speed set by frequency" #~ msgstr "Velocidade da animación definida pola frecuencia" #~ msgid "Display force &vectors" #~ msgstr "Mostrar os &vectores de forza" #~ msgid "&Normalize displacements" #~ msgstr "&Normalizar os desprazamentos" #~ msgid "&Recalculate All" #~ msgstr "&Recalcular todo" #~ msgid "Default &Quality:" #~ msgstr "&Calidade predeterminada:" #~ msgid "Show occupied orbitals first" #~ msgstr "Mostrar os orbitais ocupados primeiro" #~ msgid "Surface Type:" #~ msgstr "Tipo de superficie:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Baixa" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Media" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Alta" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Moi alta" #~ msgid "Isosurface cutoff value" #~ msgstr "Valor límite da isosuperficie" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Na visualización do tipo:" #~ msgid "New Display" #~ msgstr "Nova visualización" #~ msgid "Advanced..." #~ msgstr "Avanzado..." #~ msgid "Display visual cues" #~ msgstr "Mostrar as axudas visuais" #~ msgid "Python Settings" #~ msgstr "Configuración de Python" #~ msgid "Z Matrix Editor" #~ msgstr "Editor da matriz Z" avogadrolibs-1.100.0/i18n/he.po000066400000000000000000007235341474375334400160740ustar00rootroot00000000000000# Hebrew translation for avogadro # Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2010. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-16 14:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Hebrew \n" "Language: he\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=4; plural=(n == 1) ? 0 : ((n == 2) ? 1 : ((n > 10 && " "n % 10 == 0) ? 2 : 3));\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "בלתי ידוע" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "מימן" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "הליום" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "ליתיום" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "בריליום" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "בור" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "פחמן" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "חנקן" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "חמצן" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "פלואור" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "נאון" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "נתרן" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "מגנזיום" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "אלומיניום" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "צורן" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "זרחן" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "גופרית" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "כלור" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "ארגון" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "אשלגן" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "סידן" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "סקנדיום" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "טיטניום" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "ונדיום" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "כרום" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "מנגן" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "ברזל" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "קובלט" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "ניקל" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "נחושת" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "אבץ" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "גליום" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "גרמניום" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "ארסן" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "סלניום" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "ברום" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "קריפטון" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "רובידיום" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "סטרונציום" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "איטריום" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "זירקוניום" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "ניאוביום" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "מוליבדן" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "טכנציום" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "רותניום" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "רודיום" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "פלדיום" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "כסף" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "קדמיום" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "אינדיום" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "בדיל" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "אנטימון" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "טלור" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "יוד" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "קסנון" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "צסיום" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "באריום" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "לנתן" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "צריום" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "פרסאודימיום" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "נאודימיום" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "פרומטיום" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "סמריום" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "אירופיום" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "גדוליניום" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "טרביום" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "דיספרוסיום" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "הולמיום" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "ארביום" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "תליום" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "איטרביום" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "לוטציום" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "הפניום" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "טנטלום" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "טונגסטן" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "רניום" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "אוסמיום" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "אירידיום" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "פלטינה" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "זהב" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "כספית" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "תליום" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "עופרת" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "ביסמות" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "פולוניום" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "אסטטין" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "ראדון" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "פרנציום" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "רדיום" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "אקטיניום" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "תוריום" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "פרוטקטיניום" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "אורניום" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "נפטוניום" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "פלוטוניום" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "אמריציום" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "קוריום" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "ברקליום" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "קליפורניום" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "איינשטייניום" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "פרמיום" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "מנדלביום" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "נובליום" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "לורנציום" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "רתרפורדיום" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "דובניום" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "סיבורגיום" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "בוהריום" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "האסיום" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "מייטנריום" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "דרמשטטיום" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "רנטנגניום" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "קופרניקיום" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "ניהוניום" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "פלרוביום" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "מוסקוביום" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "ליברמוריום" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "טנסין" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "אוגאנסון" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "כדור-מקל" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "סרט" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "כוח" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "תווית" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 #, fuzzy msgid "Van der Waals" msgstr "ספרות ואן דר ואלס" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "קווי מיתאר" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 #, fuzzy msgid "Change Atom Label" msgstr "תווית" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "צבע מותאם אישית:" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy msgid "By Partial Charge…" msgstr "צבע על פי מטען חלקי" #: qtplugins/applycolors/applycolors.cpp:82 #, fuzzy msgid "By Secondary Structure" msgstr "מרנדר מבנה שניוני של חלבון" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 #, fuzzy #| msgid "Select Atom Labels Color" msgid "Bond Selected Atoms" msgstr "בחר צבע לתוויות אטומים" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "סרט" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "סרט" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "סרט" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 #, fuzzy msgid "Maximum distance:" msgstr "צבע על פי מרחק" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "הרחבות" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "צבע על פי מרחק" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy #| msgid "Select Atom Labels Color" msgid "Freeze Selected Atoms" msgstr "בחר צבע לתוויות אטומים" #: qtplugins/forcefield/forcefield.cpp:115 #, fuzzy #| msgid "Select Atom Labels Color" msgid "Unfreeze Selected Atoms" msgstr "בחר צבע לתוויות אטומים" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "אבוגדרו" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "מימן" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 #, fuzzy msgid "Atom Label:" msgstr "תווית" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "קבצי וידאו (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 #, fuzzy msgid "Save File" msgstr "שמור קובץ וידאו" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:503 #, fuzzy msgid "Formal Charge" msgstr "צבע על פי מטען חלקי" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:531 #, fuzzy msgid "Start Atom" msgstr "הנפשה..." #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 #, fuzzy msgid "Secondary Structure" msgstr "מרנדר מבנה שניוני של חלבון" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 #, fuzzy msgid "Atomic Charge…" msgstr "צבע על פי מטען חלקי" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "" #: qtplugins/select/select.cpp:180 #, fuzzy #| msgid "Select Atom Labels Color" msgid "Select Element" msgstr "בחר צבע לתוויות אטומים" #: qtplugins/select/select.cpp:269 #, fuzzy #| msgid "Select Bond Labels Font" msgid "Select Backbone" msgstr "בחר גופן תוויות קשרים" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 #, fuzzy #| msgid "Select Atom Labels Color" msgid "Select Atom" msgstr "בחר צבע לתוויות אטומים" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 #, fuzzy msgid "Paint Atoms" msgstr "הנפשה..." #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "אבוגדרו" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 #, fuzzy #| msgid "Select Bond Labels Color" msgid "Select Background Color" msgstr "בחר צבע תוויות קשרים" #: qtplugins/spectra/spectradialog.cpp:509 #, fuzzy #| msgid "Select Bond Labels Color" msgid "Select Foreground Color" msgstr "בחר צבע תוויות קשרים" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 #, fuzzy #| msgid "Select Bond Labels Color" msgid "Select Imported Spectra Color" msgstr "בחר צבע תוויות קשרים" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Surfaces" msgid "Create Surfaces…" msgstr "משטחים" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "משטחים" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "צבע על פי מטען חלקי" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "שמור קובץ וידאו" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #, fuzzy #| msgid "Select Atom Labels Color" msgid "Set Color..." msgstr "בחר צבע לתוויות אטומים" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) #, fuzzy msgid "Formal Charge:" msgstr "צבע על פי מטען חלקי" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,ofir, ,Launchpad Contributions:,dlonie,ofir, ," "Launchpad Contributions:,Avogadro Team,dlonie,ofir, ,Launchpad " "Contributions:,Avogadro Team,dlonie,ofir, ,Launchpad Contributions:,Avogadro " "Team,dlonie,ofir, ,Launchpad Contributions:,Avogadro Team,Moshe Jonathan " "Gordon Radian,dlonie,ofir, ,Launchpad Contributions:,Avogadro Team,Moshe " "Jonathan Gordon Radian,dlonie,ofir, ,Launchpad Contributions:,Avogadro Team," "Moshe Jonathan Gordon Radian,david volokita,dlonie,ofir, ,Launchpad " "Contributions:,Avogadro Team,Moshe Jonathan Gordon Radian,david volokita," "dlonie,ofir, ,Launchpad Contributions:,Avogadro Team,Moshe Jonathan Gordon " "Radian,david volokita,dlonie,ofir" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,,loniedavid@gmail.com,,,,avogadro-devel@lists.sourceforge.net," "loniedavid@gmail.com,,,,avogadro-devel@lists.sourceforge.net," "loniedavid@gmail.com,,,,avogadro-devel@lists.sourceforge.net," "loniedavid@gmail.com,,,,avogadro-devel@lists.sourceforge.net,," "loniedavid@gmail.com,,,,avogadro-devel@lists.sourceforge.net,," "loniedavid@gmail.com,,,,avogadro-devel@lists.sourceforge.net,," "dvolokita@gmail.com,loniedavid@gmail.com,,,,avogadro-devel@lists.sourceforge." "net,,dvolokita@gmail.com,loniedavid@gmail.com,,,,avogadro-devel@lists." "sourceforge.net,,dvolokita@gmail.com,loniedavid@gmail.com," #, fuzzy #~ msgid "Partial Charge" #~ msgstr "צבע על פי מטען חלקי" #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "ספרות ואן דר ואלס" #, fuzzy #~ msgid "By Distance" #~ msgstr "צבע על פי מרחק" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "מרנדר מבנה שניוני של חלבון" #, fuzzy #~ msgid "No" #~ msgstr "נאון" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "משטחים" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "צבע על פי אינדקס (אדום, כתום, צהוב, ירוק, כחול, סגול)." #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "צבע על פי מטען חלקי אטומי (כחול = חיובי, אדום = שלילי)." #~ msgid "Set custom colors for objects" #~ msgstr "הגדר צבעים מותאמים אישית לפריטים" #~ msgid "Color by distance from the first atom." #~ msgstr "צבע על פי מרחק מהאטום הראשון." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "צבע על פי יסוד (פחמן = אפור, חמצן = אדום, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "צבע על פי משקע (סוג חומצת אמינו, הידרופוביות, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "דפוס SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "צבע הדגשה:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "צבע על פי דפוס SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "הדגש מאפיינים ספציפיים התואמים דפוס SMARTS." #~ msgid "Ununtrium" #~ msgstr "אונונטריום" #~ msgid "Ununpentium" #~ msgstr "אונונפנטיום" #~ msgid "Ununseptium" #~ msgstr "אונונספטיום" #~ msgid "Ununoctium" #~ msgstr "אונונאוקטיום" #~ msgid "Engines" #~ msgstr "מנועים" #~ msgid "Axes" #~ msgstr "צירים" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "מרנדר פרימיטיבים בעזרת כדורים (אטומים) ומקלות (קשרים)" #~ msgid "Hydrogen Bond" #~ msgstr "קשר מימן" #~ msgid "Polygon" #~ msgstr "פוליגון" #~ msgid "Ring" #~ msgstr "טבעת" #~ msgid "Simple Wireframe" #~ msgstr "מיתאר פשוט" #~ msgid "Stick" #~ msgstr "מקל" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "הוספת סיומת .avi" #~ msgid "Must specify a valid .avi file name" #~ msgstr "יש לציין שם קוץ .avi תקין" #~ msgid "Could not determine format from filename: %1" #~ msgstr "לא ניתן לזהות את מבנה הקובץ: %1" avogadrolibs-1.100.0/i18n/hi.po000066400000000000000000007217451474375334400161020ustar00rootroot00000000000000# Hindi translation for avogadro # Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2010. # Atharva Kanherkar , 2023. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-09 06:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Hindi \n" "Language: hi\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n > 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "पृष्ठचित्रित फ़ाइल प्रारूप में कोई मोलेक्यूल सेट नहीं!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "पृष्ठचित्रित फ़ाइल प्रारूप में कोई फ़ाइल नाम नहीं सेट किया गया!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "हाइड्रोजन" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "हीलियम" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "लीथियम" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "बेरीलियम" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "बोरॉन" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "कार्बन" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "नाइट्रोजन" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "आक्सीजन" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "फ्लोरीन" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "नियॉन" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "सोडियम" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "मैग्नीशियम" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "एल्यूमिनियम" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "सिलिकॉन" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "फॉस्फोरस" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "सल्फर" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "क्लोरीन" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "ऑर्गन" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "पोटेशियम" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "केल्शियम" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "स्कैन्डियम" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "टाइटेनियम" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "वनेडियम" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "क्रोमियम" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "मैंगनीज़" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "लोहा" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "कोबॉल्ट" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "निकल" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "तांबा" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "ज़िंक" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "गैलियम" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "जर्मेनियम" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "ऑर्सेनिक" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "सेलेनियम" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "ब्रोमीन" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "क्रिप्टॉन" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "रूबीडियम" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "स्ट्रांशियम" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "विट्रियम" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "ज़िरकोनियम" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "नियोबियम" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "मॉलीब्डेनम" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "टेक्नेशियम" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "रुदेनियम" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "रोडियम" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "पलेडियम" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "चाँदी" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "केडमियम" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "इंडियम" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "टिन" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "एंटिमनी" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "टेलूरियम" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "आयोडीन" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "ज़ेनॉन" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "बेरियम" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "लैंथेनम" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "सीरियम" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "प्रसोडमियम" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "नियोडमियम" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "प्रोमेथियम" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "समरियम" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "यूरोपियम" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "गैडोलिनियम" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "टर्बियम" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "डायस्प्रोसियम" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "होलमियम" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "एरबियम" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "थूलियम" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "येटरबियम" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "ल्यूटेशियम" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "हाफनियम" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "टैंटेलम" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "टंग्सटन" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "रेनियम" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "ऑस्मियम" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "इरिडियम" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "प्लेटिनम" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "सोना" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "मर्क्यूरी" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "थालियम" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "सीसा लीड 3 - कैलिओप" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "बिस्मथ" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "पोलोनियम" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "अस्टाटाइन" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "राडोन" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "फ्रांसियम" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "रेडियम" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "एक्टीनियम" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "थोरियम" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "प्रोटेक्टीनियम" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "यूरेनियम" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "नेप्च्यूनियम" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "प्लूटोनियम" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "अमेरिसियम" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "क्यूरियम" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "बर्केलियम" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "केलिफोर्नियम" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "आइंस्टीनियम" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "फर्मियम" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "मेंडेलेवियम" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "नोबेलियम" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "लारेंसियम" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "रदरफोर्डियम" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "डब्नियम" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "सीबोर्जियम" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "बोरियम" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "हासियम" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "मेटनेरियम" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "डार्मस्टेडियम" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "रोंटजेनियम" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "शीर्षकहीन" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "मनपसंद रंग:" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy msgid "By Partial Charge…" msgstr "आंशिक चार्ज द्वारा रंग" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 #, fuzzy msgid "Show hydrogens" msgstr "हाइड्रोजन" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "दूरी के अनुसार रंग" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "हाइड्रोजन" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "हाइड्रोजन" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "आंशिक चार्ज द्वारा रंग" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Geoff Hutchison, ,Launchpad Contributions:,Geoff " "Hutchison,dlonie, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison," "dlonie, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison,dlonie, ," "Launchpad Contributions:,Avogadro Team,Geoff Hutchison,dlonie, ,Launchpad " "Contributions:,Avogadro Team,Geoff Hutchison,dlonie, ,Launchpad " "Contributions:,Avogadro Team,Geoff Hutchison,dlonie, ,Launchpad " "Contributions:,Avogadro Team,Geoff Hutchison,Rahul Krishna,dlonie, ," "Launchpad Contributions:,Avogadro Team,Geoff Hutchison,Rahul Krishna," "dlonie, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison,Rahul " "Krishna,dlonie" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,,,loniedavid@gmail.com,,,avogadro-devel@lists.sourceforge.net,," "loniedavid@gmail.com,,,avogadro-devel@lists.sourceforge.net,," "loniedavid@gmail.com,,,avogadro-devel@lists.sourceforge.net,," "loniedavid@gmail.com,,,avogadro-devel@lists.sourceforge.net,," "loniedavid@gmail.com,,,avogadro-devel@lists.sourceforge.net,," "loniedavid@gmail.com,,,avogadro-devel@lists.sourceforge.net,,rahul." "krishna11@gmail.com,loniedavid@gmail.com,,,avogadro-devel@lists.sourceforge." "net,,rahul.krishna11@gmail.com,loniedavid@gmail.com,,,avogadro-devel@lists." "sourceforge.net,,rahul.krishna11@gmail.com,loniedavid@gmail.com" #, fuzzy #~ msgid "Partial Charge" #~ msgstr "आंशिक चार्ज द्वारा रंग" #, fuzzy #~ msgid "By Distance" #~ msgstr "दूरी के अनुसार रंग" #, fuzzy #~ msgid "No" #~ msgstr "नियॉन" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "सूचकांक से रंग (लाल, नारंगी, पीला, हरा, नीला, बैंगनी)" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "परमाणु आंशिक चार्ज द्वारा रंग (नीला = सकारात्मक लाल= नकारात्मक)" #~ msgid "Set custom colors for objects" #~ msgstr "वस्तुओं के लिए मनपसंद रंग निर्धारित करें" #~ msgid "Color by distance from the first atom." #~ msgstr "पहली परमाणु से दूरी के अनुसार रंग." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "तत्व द्वारा रंग (कार्बन = भूरे रंग के, ऑक्सीजन = लाल, ...)." #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS प्रतिमान" #~ msgid "Highlight Color:" #~ msgstr "उभारने का रंग:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "SMARTS पैटर्न द्वारा रंग" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "उभारें विशेष सुविधाओं को, जो किसी स्मर्ट्स पत्तेर्ण की तरह के हों" #~ msgid "Ununtrium" #~ msgstr "उनुन्ट्रियम" #~ msgid "Ununpentium" #~ msgstr "उनुनपेंटियम" #~ msgid "Z Matrix Editor" #~ msgstr "जेड मैट्रिक्स संपादक" avogadrolibs-1.100.0/i18n/hr.po000066400000000000000000010236611474375334400161040ustar00rootroot00000000000000# Translations for the Avogadro molecular builder. # Copyright (C) 2006-2018 The Avogadro Project # This file is distributed under the same license as the Avogadro package. # Milo Ivir , 2021, 2022, 2023, 2024, 2025. # Weblate Translation Memory , 2024. # Eisuke Kawashima , 2024. msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-14 07:01+0000\n" "Last-Translator: Milo Ivir \n" "Language-Team: Croatian \n" "Language: hr\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=3; plural=(n%10==1 && n%100!=11 ? 0 : n%10>=2 && " "n%10<=4 && (n%100<10 || n%100>=20) ? 1 : 2);\n" "X-Generator: Weblate 5.10-dev\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Skupni posao br. %L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Nije navedena nijedna poruka." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "rezultat skripta --print-options mora biti JSON objekt na najvišoj razini. " "Primljeno:\n" "%1" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "Vraćeno upozorenje o vrijednosti koja nije znakovni niz." #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "Član 'warnings' nije niz." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Referentna datoteka '%1' ne postoji." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "Greška pri popunjavanju datoteke %1: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Datoteka '%1' nije ispravna. Nedostaje znakovni niz 'contents' ili " "'filePath' članova." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Neispravan unos datoteke: ime datoteke/sadržaj nedostaju ili nisu znakovni " "nizovi:\n" "%1" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Neispravan unos datoteke pri indeksu %1: Nije objekt." #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "'files' član nije niz." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "'files' član nedostaje." #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "'mainFile' član ne upućuje na jedan unos u 'files'." #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "'mainFile' član mora biti znakovni niz." #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "Odgovor mora biti JSON objekt na najvišoj razini." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Rezultat skripta:\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Greška u analiziranju pri %L1: '%2'\n" "Neformatirani JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Greška pri spremanju prikaza molekula u znakovni niz: Neprepoznat format " "datoteke: %1" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Greška pri spremanju prikaza molekula u znakovni niz: %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Greška pri generiranju cjson objekta. Greška u analiziranju pri %1: %2\n" "Neformatirani JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Greška pri generiranju cjson objekta: Analizirani JSON nije objekt:\n" "%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "Generator unosa (greška)" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "%1 generator ulaza" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Nastavi" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Zatvori" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Nepoznato" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "Sljedeća datoteka je promijenjena:\n" "\n" "%1\n" "\n" "Želiš li prepisati promjene kako bi se odrazila nova geometrija ili opcije " "posla?" msgstr[1] "" "Sljedeće datoteke su promijenjene:\n" "\n" "%1\n" "\n" "Želiš li prepisati promjene kako bi se odrazila nova geometrija ili opcije " "posla?" msgstr[2] "" "Sljedeće datoteke su promijenjene:\n" "\n" "%1\n" "\n" "Želiš li prepisati promjene kako bi se odrazila nova geometrija ili opcije " "posla?" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Prepisati promijenjene datoteke unosa?" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "Došlo je do problema tijekom generiranja unosa:" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "Nema datoteka unosa za spremanje!" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "Povezivanje na MoleQueue nije moguće" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Povezivanje na MoleQueue server nije moguće. Osiguraj da radi i pokušaj " "ponovo." #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "Pošalji %1 izračun" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "Posao neuspio" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "Posao nije uspješno završen." #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "Skripta vraća upozorenja:\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "Sakrij &upozorenja" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "Prikaži &upozorenja" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "Dogodila se greška:" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "Odaberi ime datoteke rezultata" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "Interna greška: tekstualni widget za ime datoteke „%1” nije pronađen" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Greška u rezultatu" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Neuspjelo pisanje u datoteku %1." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Odaberi direktorij rezultata" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Direktorij ne postoji!" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Direktorij se ne može čitati!" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: Datoteka će se prepisati." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: Datoteka se ne može promijeniti." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "Datoteke unosa se ne mogu promijeniti zbog nepoznate greške." #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Datoteke unosa se ne mogu promijeniti:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Datoteke unosa se ne mogu promijeniti:\n" "\n" "%1\n" "\n" "Upozorenja:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Upozorenje:\n" "\n" "%1\n" "\n" "Želiš li nastaviti?" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Piši datoteke unosa" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "Konfiguriraj posao" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Slanje posla na MoleQueue …" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Istek vremena za slanje posla" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Čeka se završetak posla %1 „%2” …" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "Prestani čekati" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "Dohvaćanje podataka o završenom poslu …" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "Istek vremena za preuzimanje posla" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "Greška pri slanju posla" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "MoleQueue je odbio posao: %1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Nijedan program nije odabran." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "Odaberi program iz popisa „Red i program”." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Klijent nije uspio poslati zadatak na MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Interna greška." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Nije moguće riješiti izbor programa. Ovo je greška." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "U BackgroundFileFormat nije postavljena nijedna molekula!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "U BackgroundFileFormat nije postavljen nijedan Io::FileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "U BackgroundFileFormat nije postavljeno nijedno ime datoteke!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "Rastavi vodoravno" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "Rastavi okomito" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Vodik" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Helij" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Litij" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Berilij" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Ugljik" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Dušik" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Kisik" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Natrij" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnezij" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Aluminij" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silicij" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Sumpor" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Klor" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Kalij" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Kalcij" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Skandij" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titan" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadij" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Krom" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Željezo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nikal" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Bakar" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Cink" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Galij" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germanij" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsen" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selen" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Kripton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidij" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Stroncij" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Itrij" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Cirkonij" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niobij" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molibden" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Tehnecij" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Rutenij" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rodij" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Paladij" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Srebro" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Kadmij" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indij" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Kositar" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Telur" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Jod" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Ksenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Cezij" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Barij" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantan" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cerij" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodimij" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodimij" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Prometij" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samarij" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europij" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinij" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbij" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Disprozij" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmij" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbij" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Tulij" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Iterbij" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutecij" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnij" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Volfram" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Renij" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmij" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridij" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platina" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Zlato" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Živa" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Talij" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Olovo" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bizmut" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonij" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astat" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Francij" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radij" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Aktinij" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Torij" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protaktinij" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uranij" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptunij" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutonij" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Americij" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Kirij" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkelij" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Kalifornij" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Ajnštajnij" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermij" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelevij" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelij" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Lorensij" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Raderfordij" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnij" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Siborgij" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Borij" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hasij" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Majtnerij" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmštatij" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Roentgenij" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Kopernicij" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihonij" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flerovij" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moskovij" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermorij" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tenesin" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganeson" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "Pregledaj" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "Odaberi datoteku:" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "Odaberi izvršnu datoteku:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "Nije moguće pronaći odgovarajući čitač datoteka za odabranu datoteku." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "Datotečni sufiks nedostaje, stoga se format ne može odrediti. Želiš li ga " "dodati?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "Nije moguće pronaći odgovarajući pisač datoteka za odabrani format." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "rutina" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "obraditi" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "čitača" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "čitati" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "pisača" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "pisati" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" "Pronađeno je više %1 koji mogu %2 ovaj format. Koji želiš da se koristi?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "Sve datoteke" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "Svi podržani formati" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "Greška pri čitanju prikaza molekula: Neprepoznat format datoteke: %1" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "%1 poruka" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Greška pri pisanju prikaza molekula u znakovni niz: Neprepoznat format " "datoteke: %1" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Greška pri pisanju prikaza molekula u znakovni niz: %1" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "'userOptions' nedostaje." #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "Opcija „%1” se ne odnosi na nijedan objekt." #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type' nije znakovni niz za opciju „%1”." #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "Opcija „%1” nije pronađena." #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "Kartica %1" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Naslov" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "Osnova imena datoteka" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "Jezgre procesora" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "Vrsta izračuna" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "Teorija" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Osnova" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "Naboj" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "Višekratnost" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "Greška: vrijednost mora biti objekt za ključ „%1”." #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Neprepoznata vrsta opcije „%1” za opciju „%2”." #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" "Greška pri postavljanju standardne vrijednosti za opciju „%1”. Loša vrsta " "widgeta." #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" "Greška pri postavljanju standardne vrijednosti za opciju „%1”. Loša vrsta " "standardne vrijednosti:" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Greška pri postavljanju standardne vrijednosti za opciju „%1”. Nije pronađen " "važeći indeks kombiniranog unosa iz vrijednosti:" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Neobrađeni widget u collectOptions za opciju „%1”." #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "[nema molekule]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "Sloj %1" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Kuglice i štapići" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Crteži" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Bliski kontakti" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Kristalna rešetka" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipolni moment" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Sila" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "Oznake" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Štapić" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "Mreže" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "Nekovalent" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Elementi simetrije" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Žičani model" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "Bez naslova" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "Stvori novi prikaz" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodni sustav elemenata" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Greška pri pokretanju skripts „%1 %2”: Abnormalano stanje izlaska %3 (%4: %5)" "\n" "\n" "Rezultat:\n" "%6" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "Upozorenje „%1”" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "Pokretanje skripta nije uspelo." #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "Neočekivan prekid skripta." #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "Vrijeme izvršavanja skripta je isteklo." #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "Greška pri čitanju." #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "Greška pri pisanju." #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "Nepoznata greška." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Modificiraj slojeve" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Ukloni sloj" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Ukloni informacije sloja" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Dodaj sloj" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Dodaj informacije za sloj" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "Promijeni sloj" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Dodaj atom" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Ukloni atom" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "Izbriši atome" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Prilagodi vodike" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Promijeni elemente" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Promijeni element" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "Promijeni hibridizaciju atoma" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "Promijeni formalni naboj atoma" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "Promijeni boju atoma" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "Promijeni sloj atoma" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Dodaj vezu" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "Uklonjene veze" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "Izbriši veze" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "Postavi redove veza" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Promijeni redove veza" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "Aktualiziraj veze" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "Aktualiziraj vezu" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "Dodaj jediničnu ćeliju …" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "Ukloni jediničnu ćeliju" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "Uredi jediničnu ćeliju" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "Vrati atome u ćeliju" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "Skaliraj volumen ćelije" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "Izgradi super ćeliju" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "Niggli redukcija" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "Okreni u standardnu orijentaciju" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "Reduciraj na primitivnu ćeliju" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "Konvencionaliziraj ćeliju" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "Simetriziraj ćeliju" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Ispuni jediničnu ćeliju" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "Reduciraj ćeliju na asimetričnu jedinicu" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "Promijeni pozicije atoma" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "Promijeni poziciju atoma" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "Promijeni oznaku atoma" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "Promijeni oznaku veze" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "Promijeni odabir" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Modificiraj molekulu" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "Postavke" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "Skripta %1 se ne može učitati" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "Provjeranje %1 skripta u stazi %2" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3DMol HTML blok." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Datoteka" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "&Izvezi" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "Promijeni elemente …" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Izgradi" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "Alkemija" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "Promijeni elemente atoma." #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Poravnaj" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" "Poravnaj molekule\n" "\n" "Lijeva tipka miša: Odaberi do dva atoma.\n" "\tPrvi atom je centriran pri izvoru.\n" "\tDrugi atom je poravnat na odabranu os.\n" "Desna tipka miša: Poništi poravnanje.\n" "Dvostruki klik: Centriraj atom pri izvoru." #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Os:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Poravnaj pri izvoru" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "Poravnaj na os" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "Centriraj atom pri izvoru." #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "Okreni molekulu kako bi se atom poravnao s navedenom osi." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Alat za poravnanje" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Poravnaj molekule na Kartezijevu os" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "Pokreni APBS …" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Otvori datoteku rezultata …" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "&Unos" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "Otvori datoteku rezultata" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX datotela (*.dx)" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "IO greška" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "Greška pri čitanju datoteke strukture (%1)." #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "OpenDX greška" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Greška pri čitanju OpenDX datoteke: %1" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "Greška pri čitanju OpenDX datoteke: Nije pronađena nijedna kocka" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Interagiraj s APBS uslužnim programima." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Otvori PDB datoteku" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB datoteke (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Otvori PQR datoteku" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR datoteke (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Greška" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Greška pri pokretanju APBS-a: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Navedi PDB datoteku" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Spremi APBS datoteku unosa" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "APBS unos (*.in)" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "Uspjeh" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Datoteka unosa zapisana u '%1'" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "Prema prilagođenoj boji …" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "Prema indeksu atoma …" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "Prema udaljenosti …" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "Prema elementu" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "Prema lancu" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "Prema djelomičnom naboju …" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "Prema sekundardnoj strukturi" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "Prema aminokiselini" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "Prema Shapely shemi" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "Vrućina" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "Vruće" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "Siva" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "Plazma" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "Spektralno" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "Hladno-toplo" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "Uravnoteženo" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Plava-tamnocrvena" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "Primijeni sheme boja na atome i ostatke." #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Prikaz" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "Boja atoma" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "Boja ostataka" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "Odaberi paletu boja" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "Paleta boja:" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "Primijeni boje" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Mjera atoma" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Mjera veza" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "Neprozirnost" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Prikaži višestruke veze" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Prikaži vodike" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Iscrtaj atome kao sfere i veze kao valjke." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Upravljanje vezama" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Alat za upravljanje vezama \t(%1)\n" "\n" "Lijeva tipka miša: \tKlikni i povuci za okretanje prikaza.\n" "Srednja tipka miša: \tKlikni i povuci za povećanje ili smanjenje prikaza.\n" "Desna tipka miša: \tKlikni i povuci za pomicanje prikaza.\n" "Dvostruki klik: \tResetiraj prikaz.\n" "\n" "Klikni lijevom tipkom miša i povuci na vezu za postavljanje ravnine " "upravljanja:\n" "Klikni lijevom tipkom miša i povuci jedan od atoma u vezi za mijenjanje " "kuta\n" "Klikni desnom tipkom miša i povuci jedan od atoma u vezi zs mijenjanje " "duljine" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "%L1°" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "%L1 Å" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Alat za upravljanje vezama." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Alat koji se koristi za uređivanje geometrije molekula mijenjanjem duljina " "veza i kutova." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Poveži atome" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "Prepoznaj redove veza" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Ukloni veze" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Konfiguriraj vezivanje …" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "Poveži odabrane atome" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "Veza" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "Ukloni veze svih ili odabranih atoma." #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "Stvori veze između svih ili odabranih atoma." #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "Prepoznaj redove veza." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Vezivanje" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Izvrši operacije vezivanja." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "Glavni lanac" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Trag" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Cijev" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Vrpca" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Jednostavni crtež" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Crtež" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Uže" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Prikaz vrpci / crteža biomolekula." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Dodaj težište" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Dodaj središte mase" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Dodaj okomicu" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Težište" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Dodaj težišta i središte mase." #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "Maksimalna udaljenost:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Debljina linije:" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Iscrtaj bliske kontakte između atoma." #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "Kontakt" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "Ionski spoj" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "Repulzivno" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "Uredi kartu neprozirnosti boja …" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Proširenja" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "Karta neprozirnosti boja" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "Uredi karte neprozirnosti boja, prvenstveno za iscrtavanje volumena." #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "Skripta" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Greška pri čitanju datoteke rezultata „%1”:\n" "%2" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "Obrađuje se %1" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "Postavi putanju do Python interpretera:" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Odaberi Python verziju koja se koristi za pokretanje eksternih skripta.\n" "Avogadro se mora ponovo pokrenuti kako bi sve promjene stupile na snagu." #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "Skripta naredbi" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "Pokreni eksterna skripta naredbi" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "Python postavke …" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "Instaliraj Python" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Python se koristi za mnoge Avogadro funkcije. Želiš li preuzeti Python?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "Konfiguriraj Python" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Konfiguriraj Python okruženja." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "Drugo …" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Uređivač atomskih &koordinata …" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Uređivač koordinata" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Uređivanje teksta atomskih koordinata." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Prepisati promjene?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "Tekstualni dokument je promijenjen. Želiš li odbaciti promjene i vratiti se " "na trenutačnu molekulu?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Premalo unosa na liniji." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Neispravno ime elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Ime elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Neispravan simbol elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Simbol elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "Neispravna oznaka atoma." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Neispravan indeks atoma." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Indeks atoma." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Neispravan atomski broj." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Atomski broj." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Neispravna koordinata." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X koordinata." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y koordinata." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z koordinata." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' koordinata rešetke." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' koordinata rešetke." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' koordinata rešetke." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Greška pri primjeni geometrije" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Neuspjelo analiziranje specifikacije geometrije. Ispravi označene greške i " "pokušaj ponovo.\n" "\n" "(Savjet: Zadrži miša iznad crvenog teksta za opis greške.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Uredi atomske koordinate" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Prilagođeno" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ format (simboli)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ format (imena)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ format (atomski brojevi)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Koordinate rešetke (simboli)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Koordinate rešetke (imena)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Koordinate rešetke (atomski brojevi)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "GAMESS format (simboli)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "GAMESS format (imena)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Turbomole format" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "Kopiraj" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "InChI" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "Izreži" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "Izbriši" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "&Zalijepi" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "&Uredi" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "Kopiraj kao" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "Greška pri odrezivanju molekule" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "Greška pri generiranju podataka međuspremnika." #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Format rezultata: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Greška čitača:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "Greška pri ljepljenju molekule" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Nije moguće zalijepiti molekulu: Međuspremnik je prazan!" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "Greška pri čitanju podataka međuspremnika." #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Otkriveni format: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Kopiraj i zalijepi" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Interakcija sa međuspremnikom." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K …" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2K unos" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "Generiraj unos za CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energija" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "Energija i sile" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "Molekularna dinamika" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "Optimizacija geometrije" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "Metode elektronske strukture (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "Molekularna mehanika" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Hibridne kvantno-klasične metode (Još nije podržano)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "NIŠTA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "ATOMSKI" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "JEZGRA" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "GUSTOĆE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "NASUMICE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "RIJETKO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "Poveži gradijente" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "Gradijentni spust" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "Datoteka unosa je promijenjena. Želiš li prepisati promjene kako bi se " "odrazila nova geometrija ili opcije posla?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "Prepisati promijenjenu datoteku unosa?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "Spremi CP2K datoteku unosa" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "Pošalji CP2K izračun" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Uvezi kristal iz međuspremnika …" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Uključi/Isključi jediničnu ćeliju" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Uredi jediničnu ćeliju …" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Vrati atome u jediničnu ćeliju" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "&Okreni u standardnu orijentaciju" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Skaliraj volumen ćelije …" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "Izgradi &superćeliju …" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Reduciraj ćeliju (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "&Kristal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "&Ukloni jediničnu ćeliju" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "&Dodaj jediničnu ćeliju" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "Uvezi kristal iz međuspremnika" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "Vrati atome u jediničnu ćeliju." #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "Okreni jediničnu ćeliju u standardnu orijentaciju." #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "Niggli reduciranje kristala" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "Jedinična ćelija je već reducirana." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Kristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Alati za uređivanje/analizu kristala." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "Osi boja:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Boja linija:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Iscrtaj granice jedinične ćelije." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Nije moguće raščlaniti tekst" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Neuspjelo čitanje podataka u isporučenom formatu." #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "Nema jedinične ćelije." #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "&Ponovo dodijeli prilagođene elemente …" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "Upravljaj prilagođenim vrstama elemenata u trenutačnoj molekuli." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Prilagođeni elementi" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "Iscrtaj dipolni moment molekule." #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Crtaj" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" "Alat za crtanje (%1)\n" "\n" "Lijeva tipka miša: Klikni i povuci za stvaranje atoma i veza\n" "Desna tipka miša: Izbriši atom" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Crtaj atom" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "Promijeni vrstu veze" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "Ukloni vezu" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Udaljenost:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "%1 %L2" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Alat za uređivanje" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "Automatski" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Jednostruko" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Dvostruko" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Trostruko" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "&Uvezi" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "Dohvati PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "Neuspjelo čitanje PDB molekule: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB kod" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Kemijska struktura za preuzimanje." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Neispravan PDB kod" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "PDB kod mora sadržati točno 4 znaka." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "Prvi znak PDB koda mora biti znamenka 1 do 9." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "Upit za %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Mrežno preuzimanje nije uspjelo" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Istek vremena mrežne veze ili jedna druga greška." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Navedena molekula nije pronađena: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Dohvati iz PDB-a" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "Preuzmi PDB modele iz „Protein Data Bank” baze podataka" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "Fokusiraj odabir" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "Defokusiraj" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Fokusiraj" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Fokusiraj prikaz na određene funkcije." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Iscrtaj vizualizacije polja sile za atome molekule." #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "Optimiraj geometriju" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "Sile" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "Konfiguriraj …" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "Zamrzni odabrane atome" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "Odmrzni odabrane atome" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "&Izračunaj" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "Nema atoma za optimizaciju" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "Energija: %L1" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 energija = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 norma sile = %L2" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "Optimizacija polja sile" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "Minimiziranje polja sile, uključujući skripta" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Automatsko otkrivanje (%1)" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "Univerzalno polje sile" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "Generalizirano Amber polje sile" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "Merck molekularno polje sile 94" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "Greška pri dohvaćanju metapodataka za skriptu energije: %1" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "Greška pri analiziranju metapodataka za skriptu energije: %1" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" "Greška pri analiziranju metapodataka za skriptu energije: %1\n" "Rezultat nije JSON objekt.\n" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS …" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESS unos" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Generiraj unos za GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "Jedna točka" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Geometrija ravnoteže" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Stanje tranzicije" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Frekvencije" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Potencijal jezgre" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Plin" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Voda" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Dublet" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Dikation" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Kation" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neutralni" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "Spremi GAMESS datoteku unosa" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "Pošalji GAMESS izračun" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Podesi vodike" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Dodaj vodike" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "&Ukloni suvišne vodike" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Ukloni sve vodike" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "Dodaj/Ukloni vodike iz trenutačne molekule." #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "&Vodici" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Vodici" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "&Pretraži PQR …" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Uvezi iz PQR-a" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Preuzmi molekulu iz PQR-a." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNK/RNK …" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Umetni" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "Umetni DNK/RNK …" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "Uracil" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "Timin" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "Umetni molekulu …" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "Generiranje 3D molekule …" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "Umetni DNK" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "Umetni DNK/RNK fragmente putem dijaloga." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "Molekula …" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Kristal …" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "Greška pri čitanju datoteke (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "Uvezi kristal" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Umetni fragment" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Umetni fragment" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Umetni molekularne fragmente za izgradnju većih molekula." #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "Boja:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "Udaljenost od sredine:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Ništa" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "Indeks" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "Jedinstveni ID" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "Element i broj" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "Element i ID" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "Djelomični naboj" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "Oznaka atoma:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "Duljina" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "Oznaka veze:" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "Ime" #: qtplugins/label/label.cpp:236 msgid " & " msgstr " i " #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "Oznaka ostatka:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Prikaži oznake u stilu kuglica i štapića." #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "Uredi oznake" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" "Alat za oznake atoma \t(%1)\n" "\n" "Lijeva tipka miša: \tKlikni na atome za dodavanje prilagođenih oznaka" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "Stvori oznaku" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "Alat za uređivanje oznaka" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS …" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPS unos" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Generiraj unos za LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Neprozirnost:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "Iscrtaj atome kao štapiće." #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "SMILES …" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "InChI …" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "Nije pronađen nijedan deskriptor!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "Nije pronađen nijedan čitač formata!" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "Nije moguće učitati zatraženi čitač formata." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "LineFormatInput" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" "Učitavaj molekulske deskriptore koji su zapisani u jednom retku putem " "dijaloga za unos." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Upravljaj" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" "Alat za upravljanje \t(%1)\n" "\n" "Lijeva tipka miša: \tKlikni i povuci za pomicanje atoma\n" "Desna tipka miša: \tKlikni i povuci za oretanje atoma.\n" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Alat za upravljanje" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Izmjeri" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" "Alat za mjerenje \t(%1)\n" "\n" "Lijeva tipka miša: \tOdaberi do četiri atoma.\n" "\tUdaljenosti se mjere između 1-2 i 2-3\n" "\tKut se mjeri između 1-3 koristeći 2 kao zajedničku točku\n" "\tDiedar se mjeri između 1-2-3-4\n" "Desna tipka miša: \tResetiraj mjerenja." #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Diedar:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Kut:" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "Kutovi:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Alat za mjerenje" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "Iscrtaj poligonalne mreže." #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(u tijeku)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "nepoznata molekula" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "Svojstvo" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "Ime molekule" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "Molekulska masa (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "Kemijska formula" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "Broj atoma" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "Broj veza" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "Skupovi koordinata" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "Broj ostataka" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "Broj lanaca" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "Neto naboj" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "Dipolni moment (Debye)" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "HOMO energija (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "LUMO energija (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "SOMO energija (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "Ukupna energija (Hartree)" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "Nulta točka energije (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "Entalpija (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "Entropija (kcal/mol•K)" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "Gibbsova slobodna energija (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "Točkine grupe" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "&Molekularno …" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "Pogedaj opća svojstva molekule." #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "&Analiza" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Svojstva" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Molekularna svojstva" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Svojstva molukula" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "CSV izvoz" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV datoteke (*.csv);;Sve datoteke (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "Neuspjelo otvaranje datoteke za pisanje." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "Greška pri pisanju u datoteku." #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "Izvoz …" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigacija" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" "Alat za navigaciju \t(%1)\n" "\n" "Lijeva tipka miša: \tKlikni i povuci za okretanje prikaza.\n" "Srednja tipka miša: \tKlikni i povuci za povećanje ili smanjenje prikaza.\n" "Desna tipka miša: \tKlikni i povuci za pomicanje prikaza.\n" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "Okreni prikaz duž x, y ili z osi." #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "Zumiraj prikaz." #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "Translatiraj prikaz." #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "Obrni smjer zumiranja pri povlačenju" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" "Standardno:\tPovuci prema dolje za smanjivanje, povuci prema gore za " "zumiranje\n" "Obrnuto:\tPovuci prema gore za smanjivanje, povuci prema dolje za zumiranje" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Alat za navigaciju" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Kemijsko ime" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Mrežne baze podataka" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Interagiraj s mrežnim bazama podataka, pretraži strukture itd." #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "Kutna tolerancija:" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Prikaži nekoliko nekovalentnih interakcija." #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "Halogeni" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "Halkogeni" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "Konfiguriraj polje sile …" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "Konformer pretraga …" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "Prepoznaj veze" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "Dodaj vodike za pH …" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "Ukloni vodike" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1 nije pronađen! Radnje Open Babel dodatka se deaktiviraju." #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "Formati Open Babel datoteka nisu spremni za dodavanje." #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "Učitavanje molekule iz Open Babel …" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Došlo je do interne greške: OpenBabel::readMolecule je pozvan, ali nijedan " "obabel rezultat nije dostupan za analiziranje!" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "Došlo je do greške pri pokretanju programa Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "Greška pri analiziranju openbabel rezultata." #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Došlo je do greške pri preuzimanju liste podržanih polja sile. (koristeći " "„%1”)." #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molekula je neispravna. Nije moguće optimirati geometriju." #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "Nije moguće optimirati geometriju s Open Babel." #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "Optimiranje geometrije (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "Generiranje …" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Došlo je do interne greške tijekom generiranja Open Babel prikaza trenutačne " "molekule." #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Pokretanje izvršne datoteke %1 …" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Korak %1 od %2\n" "Trenutačna energija: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "Aktualiziranje molekule …" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "Greška u interpretaciji Open Babel rezultata." #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Broj atoma u obabel rezultatu (%1) ne odgovara broju atoma u izvornoj " "molekuli (%2)." #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "Molekula je neispravna. Nije moguće generirati konformere." #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "Nije moguće generirati konformere s Open Babel." #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "Generiranje konformera (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "Generiraj konformere" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "Nije moguće otvoriti datoteku s Open Babel." #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Nevažeća molekula: Nije moguće prepoznati veze." #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "Prepoznavanje veza (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "Generiranje XYZ prikaza …" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "Greška pri generiranju znakovnog niza XYZ." #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Konvertiranje XYZ-a u Open Babel s %1 …" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "Aktualiziranje molekule iz Open Babel …" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "Nije moguće dodati vodike s Open Babel." #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "Dodavanje vodika (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "Generiranje Open Babel unosa …" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "Greška pri generiranju Open Babel unosa." #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "Izvodi se %1 …" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "Dodaj vodike za pH" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "Generiranje obabel unosa …" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "Nije moguće ukloniti vodike s Open Babel." #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "Uklanjanje vodika (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "Greška pri generiranju Open Babel podataka." #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "Čitanje obabel rezultata …" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Open Babel se već pokreće. Pričekaj da druga operacija završi i pokušaj " "ponovo." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Interagiraj s OpenBabel uslužnim programima." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "&OpenMM skripta …" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMM unos" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Generiraj unos za OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "Točno" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "Referentne osi" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "Prikaz referentnih osi" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "Iscrtaj referentne osi u kutu ekrana." #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "Player" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "Alat za animaciju \t(%1)" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "Reproduciraj" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Prekini" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "Broj sličica:" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "Sličica:" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " od %0" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "Dinamičko vezivanje?" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "Snimi video …" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "Video (*.mp4)" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "Izvezi bitmap slike" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Video (*.mp4);;Video (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "Upozorenje o podršci za GIF FPS" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "GIF format ne podržava broj sličica u sekundi iznad 100 FPS." #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "Video (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "Greška: nije moguće dodati kadar u video." #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "Nije moguće spremiti datoteku %1." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Player" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Pokreni animaciju trajektorija" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "Nacrtaj funkciju raspodjele parova …" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "Neuspjelo generiranje PDF uzorka" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "Poruka greške: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Generiraj i nacrtaj krivulju funkcije raspodjele parova." #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "Nacrtaj RMSD krivulju …" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "PlotRmsd" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "Generiraj i nacrtaj RMSD krivulju." #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "Nacrtaj teoretski XRD uzorak …" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "Neuspjelo generiranje XRD uzorka" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "Neuspjelo konvertiranje molekule u CIF format." #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Čini se da su pročitani podaci od genXrdPattern oštećeni!" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "Greška: izvršna datoteka genXrdPattern nije pronađena!" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "Greška: " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Generiraj i nacrtaj teoretski XRD uzorak koristeći ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "Aktualiziraj" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "Verzija" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "Opis" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "Greška pri preuzimanju podataka dodatka." #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "Greška pri analiziranju podataka dodatka." #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "Ovaj dodatak zahtijeva instaliranje određenih paketa.\n" "Želiš li ih instalirati?" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "Uvijek" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "Nikada" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "Neuspjelo preuzimanje iz %1: kȏd stanja %2, %3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Preuzima se %1 u %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Raspakirava se %1 u %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "Dovršene datoteke: %1\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "Raspakiranje uspjelo\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "Greška pri raspakiranju: %1" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "Preuzmi dodatke …" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Preuzmi dodatke" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Preuzmi dodatke s GitHub repozitorija." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY iscrtavač …" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "Spremi datoteku" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Tekstualna datoteka (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "Koristi PLY za iscrtavanje prikaza." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray iscrtavač …" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Tekstualna datoteka (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Koristi POV-Ray za iscrtavanje prikaza." #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Valencija" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "Formalni naboj" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "%1 djelomični naboj" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "Oznaka" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "Boja" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Vrsta" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "Početak atoma" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "Kraj atoma" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "Red veze" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Duljina (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "Lanac" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "Sekundardna struktura" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "Heterogen" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "Atom 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Vrh" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "Atom 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "Kut (°)" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "Atom 2" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "Atom 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "Energija (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "Prilagodi fragment" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "π-zavojnica" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "Zavoj" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "α-zavojnica" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "β-ploča" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 zavojnica" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "β most" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "Okretaj" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Svojstva atoma …" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Svojstva veze …" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Svojstva kuta …" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Svojstva torzije …" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Svojstva ostatka …" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "Svojstva konformera …" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "Tablice za prikaz i uređivanje svojstva atoma, veze, kuta i torzije." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "Tablice svojstva" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Svojstva atoma" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Svojstva veze" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Svojstva kuta" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Svojstva torzije" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Svojstva konformera" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "Svojstva ostatka" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Iscrtava primitivne ćelije koristeći QTAIM svojstva" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Molekulski grafikon …" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "Molekulski grafikon sa slobodnim parovima …" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "Atomski naboj …" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Otvori WFN datoteku" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN datoteke (*.wfn);;Sve datoteke (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM proširenje" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "Kvantni unos" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "Generiraj unos za kvantne kodove." #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "Centriraj" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "Poravnaj prikaz prema osima" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "Poravnaj prikaz prema osima." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Resetiraj prikaz" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Upravljaj kamerom prikaza." #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "Skripta modela naboja" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "Učitaj elektrostatičke modele iz eksternih skripta." #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "Skripta datotečnih formata" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "Učitaj čitač/pisač datoteka iz eksternih skripta." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Odaberi sve" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Poništi izbor" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Obrni odabir" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Odaberi prema elementu …" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Odaberi prema indeksu atoma …" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Odaberi prema ostatku …" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "Odaberi atome glavnog lanca …" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "Odaberi atome bočnog lanca …" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "Odaberi vodu" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "Povećaj odabir" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "Smanji odabir" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "Stvori novi sloj iz odabira" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Promijeni odabire" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Odaberi" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Odaberi element" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "Odaberi glavni lanac" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "Odaberi bočni lanac" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Odaberi atome prema indeksu" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Atomi za biranje:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Odaberi atom" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Odaberi atome prema ostatku" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Ostaci za biranje:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "Odaberi ostatak" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "Odaberi" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Odabir" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" "Alat za biranje \t(%1)\n" "\n" "Lijeva tipka miša: \tKlikni za biranje pojedinačnih atoma, ostataka ili " "fragmenata\n" "\tPovuci za biranje niza atoma\n" "Desna tipka miša: \tKlikni izvan molekule za poništavanje odabira\n" "Koristi tipku Ctrl za mijenjanje odabira i tipku shift za dodavanje " "odabiru.\n" "Dvostruki klik: \tOdaberi cijeli fragment." #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "Oboji atome" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Alat za biranje" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "Novi sloj" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "Prepoznaj prostornu grupu …" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "Simetriziraj" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "Ispuni jediničnu ćeliju …" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "Reduciraj na asimetričnu jedinicu" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "Postavi toleranciju …" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "Prostorna grupa" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "Ispuni simetrične atome na temelju prostorne grupe kristala." #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "Prepoznaj prostornu grupu" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "Prostorna grupa je već postavljena na: %1.\n" "Želiš li je prepisati?" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "Neuspjeh" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Percepcija prostorne grupe nije uspjela.\n" "Želiš li pokušati ponovo s jednom drugom tolerancijom?" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "Redukcija na primitivnu ćeliju" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "Tolerancija je trenutačno postavljena na: %1.\n" "Nastaviti s ovom tolerancijom?" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Redukcija na primitivnu ćeliju nije uspjela.\n" "Provjeri kristal i pokušaj ponovo s jednom drugom tolerancijom." #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Konvencionalizacija ćelije nije uspjela.\n" "Provjeri kristal i pokušaj ponovo s jednom drugom tolerancijom." #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Simetrizacija nije uspjela.\n" "Provjeri kristal i pokušaj ponovo s jednom drugom tolerancijom." #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "Odberi toleranciju u Å:" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "Međunarodno" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "Odaberi prostornu grupu" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "Prostorna grupa" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "Funkcije prostorne grupe za kristale." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "Crtaj spektre …" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "Spektri" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "Prikaži crteže spaktara." #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "Infracrveno" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "Elektronski" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "Cirkularni dikroizam" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "Gustoća stanja" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Odaberi boju pozadine" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Odaberi prednju boju" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "Odaberi boju izračunatih spektara" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "Odaberi boju uvezenih spektara" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "Valna duljina (nm)" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "Spektri vibracija" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "Valni brojevi (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "Transmisija" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "Raman spektri" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "Intenzitet" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "NMR spektri" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "Kemijski pomak (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "Elektronski spektri" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Energija (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "Spektri kružnog dikromizma" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "Gustoća" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "Molekulske orbitale …" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "Prozor orbitala" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "Prikaži popise orbitala." #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Orbitala" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Simetrija" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Stanje" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "Molekulske orbitale" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "Otapalo dostupno" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "Otapalo isključeno" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Molekulska orbitala" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Gustoća elektrona" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "Gustoća spina" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "Iz datoteke" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "Stvori površine …" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "Iscrtaj van der Waals površinu." #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "Iscrtaj van der Waals molekulsku površinu." #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "Iscrtaj molekulsku površinu dostupnog otapala." #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "Iscrtaj molekulsku površinu isključenog otapala." #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "Iscrtaj molekulsku orbitalu." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "Iscrtaj gustoću elektrona." #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "Iscrtaj gustoću spina." #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "Iscrtaj kocku isporučenu s datotekom." #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "Izračunavanje gustoće elektrona" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "Izračunavanje gustoće spina" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Izračunavanje molekulske orbitale %L1" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "Video AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "Izvezi video" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Video MP4 (*.mp4);;Video AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Površine" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Čitaj i iscrtaj površine." #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "&SVG …" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Iscrtaj prikaz u SVG datoteku." #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "Klasa" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "Simetrija …" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Pruži funkcionalnost simetrije." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Iscrtaj elemente simetrije." #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "Grupa %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "Predložak" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" "Alat za predloške (%1)\n" "\n" "Umetni fragmente, uključujući središta metala.\n" "Odaberi element i geometriju koordinacije, zatim klikni za umetanje " "fragmenta.\n" "\n" "Odaberi ligand ili funkcionalnu grupu i klikni na atom vodika za spajanje." #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "Međuspremnik" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "Umetni predložak" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "Umetni ligande" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "Alat za predloške" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Jednostavan prikaz VdW sfera." #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "Modusi vibracije …" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "Prikaži dijalog modusa vibracije." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Postavi modus vibracije." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "Postavi amplitudu vibracije." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "Pokreni animaciju vibracije." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "Prekini animaciju vibracije." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "Vibracije" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "Prikaži moduse vibracije." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "VRML iscrtavanje …" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Tekstualna datoteka (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Koristi VRML za iscrtavanje prikaza." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Iscrtaj molekulu kao žičani model." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "Izračunaj strukturu vrpce …" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "Nije moguće izračunati strukturu vrpce: nema jedinične ćelije!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "Izvršavanje Yaehmopa nije uspjelo sa sljedećom greškom:\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "Neuspjelo čitanje rezultata strukture vrpce od Yaehmopa!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "Pronađena je samo jedna posebna k točka u Yaehmop rezultatu! Potrebne su " "dvije ili više!" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "Vrpca %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "Fermi razina" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "Yaehmop se ne može pronaći" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "Greška: %1 se nije uspio pokrenuti" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "Yaehmop unos" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Izvrši proširene Hückelove izračune s yaehmopom." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dijalog" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Obrazac" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Postavke izračuna" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "Tekst rezerviranog polja …" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Resetiraj" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "Ispravljanje grešaka skripta …" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "Pošalji izračun …" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Spremi unos …" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Red i program:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "Osvježi" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" "

      Broj rezerviranih jezgri procesora za ovaj posao.

      " #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Jezgre procesora:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" "

      Izbriši eksterne radne datoteke po završetku posla. " "Rezultati će se i dalje najprije kopirati u lokalnu MoleQueue predmemoriju " "poslova.

      " #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Izbriši eksterne datoteke nakon završetka:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" "

      Označi za standardno sprečavanje prikazivanja ovog " "posla u MoleQueue GUI-u.

      " #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Sakrij posao u MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" "

      Prikaži skočnu obavijest sustava kada se stanje posla " "promijeni.

      " #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Prikaži obavijesti o napretku:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Otvori rezultat nakon završetka:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Preimenuj elemente" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "Umetni fragment …" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filtar:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "Upiši ime ili dio imena za prikaz samo podudarajućih datoteka." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Umetni" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "3DMol HTML isječak" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Kopiraj u međuspremnik" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Datoteka unosa strukture" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Generiraj unos iz PDB-a" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB Datoteka:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "…" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Polje sile:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Pokreni PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Učitaj postojeću PQR datoteku" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR datoteka:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "Datoteka APBS unosa" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Spremi datoteku unosa" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Pokreni APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Uspjeh!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Učitaj datoteku strukture" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Učitaj datoteku kocke" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "Djelomični naboji" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "Model naboja:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Tolerancija udaljenosti:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Minimalna udaljenost:" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "Iscrtavanje volumena" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "Kocka" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "Aktiviraj iscrtavanje volumena" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "Aktiviraj iscrtavanje površine" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "Ime okruženja:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Odaberi Python verziju koja se koristi za pokretanje skripta.\n" "Avogadro se mora ponovo pokrenuti kako bi sve promjene stupile na snagu." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "Okruženje:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Uređivač koordinata" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Unaprijed postavljeno:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Jedinica udaljenosti:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Angstrom" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "Pomoć …" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Zalijepi" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Obnovi" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Primijeni" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2K unos" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Resetiraj sve" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Standardne postavke" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "Spremi datoteku …" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Osnovna postava" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Naslov:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "Osnova imena datoteke:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "posao" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Izračunaj:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Metoda:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Osnova:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Funkcionalno" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Emax Spline Spin" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Poisson EWALD vrsta" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Poisson EWALD Alpha" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "Poisson EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "TOČNO" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" "Datotečni sufiks za Open Babel konverziju (standardno – Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Parametri superćelije" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opcije superćelije" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A ponavljanje:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B ponavljanje:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C ponavljanje:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "Uređivač jedinične ćelije" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Ćelijska matrica:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Frakcijska matrica:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "&Transformiraj atome" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Primijeni" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Obnovi" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Sakrij" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Skaliraj volumen jedinične ćelije" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "Novi &volumen:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Faktor skaliranja:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Tranutačni volumen:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Tekstualna oznaka" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Red veze:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Parametri optimizacije geometrije" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Kriteriji konvergencije" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "Energetska konvergencija:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Ograničenje koraka:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " jedinice" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " koraci" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "Gradijentna konvergencija:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Metoda optimizacije" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Polje sile:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Automatsko otkrivanje" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS unos" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "U:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Višestrukost:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Sa:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Naboj:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "Uvezi iz PQR-a …" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Pretraga" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "ime" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "oznaka" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "sinonim" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "formula" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Traži prema: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Formula:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Preuzmi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Ime:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Umetni nukleinske kiseline" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "DNK/RNK generator" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNK" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNK" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Neukleinske kiseline:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Citozin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Gvanin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Sekvencija:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "broj parova baze po okretaju spirale" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "Drugo" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Broj baza po okretaju:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Lanci:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "Jedan" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Dva" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPS unos" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Komentari datoteke unosa" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Odaberi stil jedinice koji će se koristiti tijekom simulacije." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Jedinice" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elektron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Vodni potencijal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Odaberi stil atoma (atom_style) koji koristi datoteka podataka." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Stil atoma" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "kut" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomski" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "veza" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "naboj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipol" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "elipsoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "potpuno" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "linija" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "sredina" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molekularno" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "oko" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "sfera" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "valni paket" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Odredi ime koje će se koristiti za datoteku koordinata." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Datoteka podataka koordinata" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Ansambl" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperatura" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Odaberi broj Nosé-Hoover lanaca u NVT ansamblu." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "NH lanci" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Vremenski korak za simulaciju u jedinicama prema specifikaciji „Jedinice”." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Vremenski korak" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Ime XYZ datoteke koja će se pisati tijekom simulacije." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Ispiši XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Broj dimenzija u sustavu." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimenzije" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Promijeni stil Z granice." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "fm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Promijeni stil Y granice." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Promijeni stil X granice." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "Odaberi stilove granica u smjerovima X, Y i Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Granica" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Broj replikacija u smjerovima X, Y i Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Replikacija" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Replikacija u smjeru X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Replikacija u smjeru Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Replikacija u smjeru Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Ukupni broj vremenskih koraka za pokretanje simulacije." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Ukupni broj koraka" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Interval ispisa" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Postavi početne brzine atoma za simulaciju." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Početne brzine" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Odaberi distribuciju početnih brzina atoma." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gausova" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "jednolika" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "Postavi početne brzine atoma da odgovaraju ovoj temperaturi." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Ukloni linearni moment sustava iz početnih brzina." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Bez linearnog momenta" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Ukloni kutni moment sustava iz početnih brzina." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Bez kutnog momenta" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Upravljaj termodinamičkim rezultatom tijekom simulacije." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Rezultat" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Interval rezultata" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Stil termodinamičkog rezultata." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Jedan redak" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Višeredno" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Koristi obrazac" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "Generiraj …" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Deskriptor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Translatiraj za:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Okreni oko:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Izvor" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "Središte molekule" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "Središte odabira" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "Os X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Os Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Os Z" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "Pomakni:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "Odabrane atome" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "Sve ostalo" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Pretraga konformera" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Metoda" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "Broj konformera:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Pretraga genteskim algoritmom" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "Optimizacija po konformeru:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Opcije genetskog algoritma" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "broj djece za svaku roditeljsku geometriju" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "Djeca:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "frekvencija mutacije (niža = češće mutacije)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "Promjenjivost:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "broj identičnih generacija prije nego što se postigne konvergencija" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "Konvergencija:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "Metoda bodovanja:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" "metoda bodovanja za genetski algoritam (RMSD = geometrijska udaljenost, " "energija = najniže energije)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "RMSD" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Algoritam optimizacije:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Tehnika pretraživanja linija:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Gradijentni spust" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Jednostavno" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Newtonova metoda" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "Ograniči nevezane interakcije" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Učestalost aktualiziranja para:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "Å" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "Konvergencija „Energije”:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "OpenMM izgrađivač skripta" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Skripta posla:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "skripta" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Koordinate unosa:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Topologija unosa:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Polje sile:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Model vode:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Implicitno otapalo (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Platforma:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Referenca" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Točnost:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "jednostruko" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "miješano" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "dvostruko" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Indeks uređaja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "Indeks OpenCL platforme:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Ewald tolerancija:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Ograničenja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "Vodikove veze" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "Sve veze" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "Vodikovi kutovi" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "Tolerancija ograničenja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "Tvrda voda?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "Krivo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr " nm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Slučajna početna brzina:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Temperatura generiranja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrator:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Brownian" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "VariableLangevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "VariableVerlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "Vremenski korak:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr " fs" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Tolerancija grešaka:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Stopa kolizije:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "/ps" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Temperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Barostat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Tlak:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr " atm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Barostatski interval" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Izvejstitelji:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "StateData" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Interval izveštaja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "Koraci ekvilibracije:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Koraci proizvodnje:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Minimizirati?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Maks. koraci minimiziranja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "StateData opcije:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Indeks koraka" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Vrijeme" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Brzina" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Napredak" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Potencijalna energija" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Kinetička energija" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Ukupna energija" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "Volumen" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "Opcije PDF grafikona" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Maksimalni radijus:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Korak (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Opcije teoretskog XRD uzorka" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" "

      Širenje vrha pri bazi (u stupnjevima).

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" "

      Maksimalna 2theta vrijednost u stupnjevima.

      Standardno: 162,00°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" "

      Širenje vrha pri bazi u stupnjevima.

      Standardno: " "0.52958°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Broj točaka:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Širina vrha:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Valna duljina:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" "

      Valna duljina x-zraka u Angstromima.

      Standardno: 1,50560 Å

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" "

      Broj generiranih 2theta točaka.

      Standardno: " "1000

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "Maks. 2*theta:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Preuzmi odabrano" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Radijus kritične točke:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Radijus staze veze:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Kovalentna" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Konstantna veličina" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Primijeni boju" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "Vizualizacija spektara" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "Faktor skaliranja:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "Minimum osi X:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "Maksimum osi X:" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "Odmak:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "Maksimum osi Y:" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "Minimum osi Y:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "Širina vrha:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "Prag vrha:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "Jedinice:" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Izgled" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Prikaži" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" "Uvozi tabulatorom odvojene vrijednosti eksperimentalnih spektara za " "pokrivanje na crtežu." #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Uvezi …" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Postavi boju …" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Uvezeni spektri:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Izvezi …" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Pozadina:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "Izračunati spektri:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "Veličina fonta:" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "Debljina linije:" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Izvezi podatke" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Zatvori" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&Opcije …" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Kontrole:\n" "Dvostruki lijevi klik: Obnovi zadane granice osi\n" "Desni klik + povlačenje: Pomiči dijagram\n" "Srednji klik + povlačenje: Zumiraj na regiju\n" "Kotačić za pomicanje: Zumiraj na kursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "&Učitaj podatke …" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Kvaliteta: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Vrlo niska" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Niska" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Srednja" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Visoka" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Vrlo visoka" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "Iscrtaj" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "Konfiguriraj" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Stvori površine" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Površina:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alpha" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Boja prema:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "Elektrostatički potencijal" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolucija:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Vrijednost izopovršine:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "Zaglađivanje:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Lagano" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "Snažno" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Izračunaj" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Simetrično ekvivalentni atomi:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Zaključaj simetriju" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operacije" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Elementi simetrije:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Podgrupe" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Podgrupe:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolerancija:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Usko" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normalno" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Široko" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Jako široko" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Otkrij simetriju" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "Sredine" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "Formalni naboj:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "0" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "+1" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "+2" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "+3" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "+4" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "+5" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "+6" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "+7" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "Koordinacija:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: Oktaedarni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: Linearni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: Linearni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: Trigonalno planarni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: Tetraedarni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: Kvadratno planarni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: Trigonalno bipiramidni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: Kvadratno piramidni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: Trigonalna prizma" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: Pentagonsko bipiramidni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: Kvadratna antiprizma" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "Ligandi" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "Vrsta:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "Monodentatni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "Bidentatni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "Tridentatni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "Tetradentni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "Heksadentatni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "Haptični" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "Iz međuspremnika" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "Ligand:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Grupe" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "Grupa:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "amid" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "karboksilat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "ester" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "etilen" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "acetilen" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "nitro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "fenil" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "fosfat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "sulfonat" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Modusi vibracija" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplituda:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "Pokreni animaciju" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "Zaustavi animaciju" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Yaehmop vrpca" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Min. y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "Nacrtati Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" "

      Podesiti energije tako da nula bude Fermi? Dostupno " "samo ako crtamo Fermi razinu.


      Zadano: " "isključeno

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "Fermi nula?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "broj k-točki koje povezuju posebne k-točke:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Posebne k-točke" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Maks. y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "

      Fermi razina

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" "

      Upiši posebne k-točke kao takve:

      L 0,5 0,5 0,5

      G 0,0 0,0 0,0

      X 0,5 0,0 0,5

      To je <symbol> <x> " "<y> <z> gdje su x, y i z razlomačke recipročne prostorne " "koordinate. Povući će se linije koje povezuju te k-točke na grafikonu " "redoslijedom upisivanja. Imaj na umu da orijentacija tvoje ćelije može " "utjecati na lokacije ovih recipročnih prostornih točaka.

      Ako je " "prostorna grupa kristala prepoznata ili postavljena, posebne k točke će se " "automatski ispuniti točkama visoke simetrije primitivne ćelije za tu " "prostornu grupu. Postoji nekoliko prostornih grupa s različitim visokim " "točkama simetrije ovisno o rešetki (kao što je a > b ili a < b) - to " "se automatski uzima u obzir.

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" "

      Upiši broj k-točaka koje će povezivati posebne k-" "točke. Više ovih k-točaka će izgladiti grafikon, ali izračun može potrajati " "duže.

      Standardno: 40

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" "

      Ograničiti y-raspon u crtežu?

      Standardno: " "isključeno

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "Ograničiti y-raspon?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" "

      Broj periodičnih dimenzija.


      Ako je " "postavljeno na 1, materijal će biti periodičan samo duž vektora A " "kristala.


      Ako je postavljeno na 2, materijal će biti " "periodičan duž vektora A i B kristala.


      Ako je postavljeno " "na 3, materijal će biti periodičan duž vektora A, B i C kristala.


      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Broj dimenzija:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "Prikazati Yaehmop unos?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "Oliver Mucafir, Geoff Hutchison, gogo, Milo Ivir" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" "avogadro-devel@lists.sourceforge.net, trebelnik2@gmail.com, mail@milotype.de" #~ msgid "eV" #~ msgstr "eV" #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "Djelomični naboj" #~ msgid "Animation Tool" #~ msgstr "Alat za reprodukciju" #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals (AO)" #~ msgid "Select Water…" #~ msgstr "Odaberi vodu …" #~ msgid "&Copy" #~ msgstr "&Kopiraj" #~ msgid "Molecule Name:" #~ msgstr "Ime molekule:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molekulska masa (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Kemijska formula:" #~ msgid "Number of Atoms:" #~ msgstr "Broj atoma:" #~ msgid "Number of Bonds:" #~ msgstr "Broj veza:" avogadrolibs-1.100.0/i18n/hu.po000066400000000000000000012404511474375334400161050ustar00rootroot00000000000000# Hungarian translation for avogadro # Copyright (c) 2009 Rosetta Contributors and Canonical Ltd 2009 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2009. # Szabolcs Kalapos , 2020. # SoftwareByRedline , 2021. # ovari , 2021, 2022, 2023, 2024. # LibreTranslate , 2024. # Weblate Translation Memory , 2024. # Mirkó Attila , 2024. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2024-11-25 20:00+0000\n" "Last-Translator: ovari \n" "Language-Team: Hungarian \n" "Language: hu\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.9-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Kötegelt feladat #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Nincs megadva üzenet." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "parancsfájl --nyomtatási-beállítások kimenet legfelső szintű JSON-" "objektumnak kell lennie. Érkezett:\n" "%1" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "A karakterlánc-mentes figyelmeztetés visszatért." #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "A „warnings” (figyelmeztetések) tag nem tömb." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "A(z) „%1” hivatkozási fájl nem létezik." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "Hiba történt a(z) %1 fájl kitöltésében: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "A(z) „%1” fájl rosszul van beállítva. Hiányzó karakterlánc " "„contents” (tartalom) vagy „filePath” (fájlelérésiÚt) tag." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Hibás fájlbejegyzés: a fájlnév/tartalom hiányzik vagy nincs karakterlánc:\n" "%1" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Hibás fájlbejegyzés a(z) %1 tárgymutatóban: Nem objektum." #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "A „files” (fájlok) tag nem tömb." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "A „files” (fájlok) tag hiányzik." #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "A „mainFile” (főFájl) tag nem utal a „files” (fájlok) bejegyzésére." #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "A „mainFile” (főFájl) tagnak karakterláncnak kell lennie." #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "A válasznak legfelső szintű JSON-objektumnak kell lennie." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Parancsfájl kimenet:\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Elemzési hiba történt a(z) %L1 eltolásnál: „%2”\n" "Nyers JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Hiba történt a molekulaábrázolás mentése a karakterláncba: Felismerhetetlen " "fájlformátum: %1" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Hiba történt a molekulaábrázolás mentése a karakterláncba: %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Hiba történt a kémiai-JSON-objektum létrehozásakor: Elemzési hiba a(z) %1 " "eltolásnál: %2\n" "Nyers JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Hiba történt a kémiai-JSON-objektum létrehozásakor: Az elemzett JSON nem " "objektum:\n" "%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "Bemeneti létrehozó (hiba)" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "%1 bemeneti létrehozó" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Folytatás" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Bezárás" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Ismeretlen" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "A következő fájl módosult:\n" "\n" "%1\n" "\n" "Szeretné felülírni a módosításokat, hogy azok tükrözzék az új geometriát " "vagy feladatbeállításokat?" msgstr[1] "" "A következő fájlok módosultak:\n" "\n" "%1\n" "\n" "Szeretné felülírni a módosításokat, hogy azok tükrözzék az új geometriát " "vagy feladatbeállításokat?" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Felülírja a módosított bemeneti fájlokat?" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "Problémák történtek a bemenet létrehozása során:" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "Nincs mentendő bemeneti fájl!" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "Nem sikerült a „MoleQueue” (Molekulasor) csatlakozása" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Nem sikerült a „MoleQueue” (Molekulasor)-kiszolgáló csatlakozása. Kérjük, " "ellenőrizze, hogy az fut, és próbálja újra." #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "%1 számítás elküldése" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "Feladat nem sikerült" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "The task did not complete successfully." #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "Parancsfájl figyelmeztetéseket ad vissza:\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "&Figyelmeztetések elrejtése" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "&Figyelmeztetések megjelenítése" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "Hiba történt:" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "Kimeneti fájlnév kijelölése" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "Belső hiba történt: a(z) „%1” fájlnév szöveges vezérlő nem található" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Kimeneti hiba" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "A(z) %1 fájl mentése nem sikerült." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Kimeneti könyvtár kijelölése" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: A könyvtár nem létezik!" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: A könyvtár nem olvasható!" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: A fájl felülírásra kerül." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: A fájl nem menthető." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "A bemeneti fájlok ismeretlen hiba miatt nem menthetők." #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "A bemeneti fájlok nem menthetők:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "A bemeneti fájlok nem menthetők:\n" "\n" "%1\n" "\n" "Figyelmeztetések:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Figyelmeztetés:\n" "\n" "%1\n" "\n" "Szeretné folytatni?" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Bemeneti fájlok mentése" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "Feladat beállítása" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Feladat küldése a „MoleQueue” (Molekulasor)-hoz folyamatban…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Feladatküldési időtúllépés" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" "Az Avogadro alkalmazás időtúllépése a „MoleQueue” (Molekulasor) alkalmazás " "válaszának várakozása miatt." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" "Várakozás a(z) %1-feladatazonosító befejezésére…\n" "Feladatleírás: %2" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "Várás leállítása" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "A befejezett feladatadatok lekérése…" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "Feladat lekérésének időtúllépése" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro időtúllépéssel várt a „MoleQueue” (Molekulasor) kész feladat " "részleteire." #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "Hiba történt a feladat elküldésekor" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "A feladatot a „MoleQueue” (Molekulasor) elutasította: %1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Nincs kijelölt program." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" "Kérjük, jelölje ki a célprogramot a „Várakozási sor és program” listából." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Az ügyfél feladatküldése a „MoleQueue” (Molekulasor)-hoz nem sikerült." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Belső hiba." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "A kijelölt program feloldása nem sikerült. Ez egy hiba." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" "Nincs molekula beállítva a „BackgroundFileFormat” (HáttérFájlformátum) " "fájlban!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Nincs Io::FájlFormátum beállítva a HáttérFájlFormátum-ban!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" "Nincs fájlnév beállítva a „BackgroundFileFormat” (HáttérFájlformátum) " "fájlban!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "Felosztás vízszintesen" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "Felosztás függőlegesen" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Hidrogén" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Hélium" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Lítium" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Berillium" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Bór" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Szén" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Nitrogén" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Oxigén" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Nátrium" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnézium" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Alumínium" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Szilícium" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Foszfor" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Kén" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Klór" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Kálium" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Kalcium" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Szkandium" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titán" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanádium" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Króm" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Mangán" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Vas" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nikkel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Réz" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Cink" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germánium" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arzén" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Szelén" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Bróm" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Kripton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubídium" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Stroncium" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Ittrium" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Cirkónium" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Nióbium" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molibdén" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Technécium" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Ruténium" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Ródium" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Palládium" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Ezüst" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Kadmium" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Ón" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimón" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Tellúr" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Jód" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Cézium" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Bárium" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantán" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cérium" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Prazeodímium" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodímium" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Promécium" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Szamárium" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Európium" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolínium" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Diszprózium" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Túlium" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Itterbium" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutécium" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantál" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Volfrám" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Rénium" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Ozmium" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Irídium" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platina" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Arany" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Higany" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Tallium" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Ólom" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bizmut" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polónium" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Asztácium" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Rádium" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Aktínium" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Tórium" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protaktínium" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Urán" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptúnium" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutónium" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Amerícium" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Kűrium" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkélium" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Kalifornium" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelévium" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobélium" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Laurencium" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Borium" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hasszium" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Röntgenium" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Kopernícium" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihónium" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Fleróvium" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moszkóvium" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermórium" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tenesszium" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganeszon" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "Tallózás" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "Fájl kijelölése:" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "Végrehajtható fájl kijelölése:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "A kijelölt fájl fájlolvasója nem található." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "A fájl kiterjesztése hiányzik, így a formátum nem határozható meg. Hozzá " "szeretné adni?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "A kijelölt fájl fájlírója nem található." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "kezelők" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "kezelő" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "olvasók" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "megnyitás" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "írók" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "író" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" "Több %1 azt találta, hogy képes %2 ebben a formátumban. Melyiket kell " "használni?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "Minden fájl" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "Minden támogatott formátum" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" "Hiba történt a molekulaábrázolás olvasásakor: Felismerhetetlen fájlformátum: " "%1" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "%1 üzenet" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Hiba történt a molekulaábrázolás karakterláncba írása során: " "Felismerhetetlen fájlformátum: %1" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Hiba történt a molekulaábrázolás karakterláncba írása során: %1" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "Hiányzik a(z) „userOptions” (felhasználóiBeállítások)." #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "A(z) „%1” beállítás nem hivatkozik objektumra." #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "A „type” (típus) nem karakterlánc a(z) „%1” beállításhoz." #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "„%1” beállítás nem található." #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "Lap: %1" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Cím" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "A fájlnév alapja" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "Processzormagok" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "Számítás típusa" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "Elmélet" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Bázis" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "Töltés" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "Többszörösség" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "Hiba történt: az értéknek objektumnak kell lennie a(z) „%1” kulcsnál." #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Ismeretlen beállítási típus „%1” a(z) „%2” beállításnál." #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" "Hibás történt a(z) „%1” beállítás alapértelmezett beállításakor. Hibás " "vezérlői típus." #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" "Hibás történt a(z) „%1” beállítás alapértelmezett beállításakor. Hibás " "alapértelmezett érték:" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Hibás történt a(z) „%1” beállítás alapértelmezett beállításakor. Nem " "található érvényes kombinált bejegyzés tárgymutató az értékből:" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" "Nem kezelt vezérlő a „collectOptions” (Beállítások gyűjtése) menüben a(z) " "„%1” beállításhoz." #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "[nincs molekula]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "%1. réteg" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Labda és bot modell" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Fehérje szalagok" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Szoros érintkezések" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Kristályrács" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipólusmomentum" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Erő" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "Címkék" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Vonal/pálcamodell" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "Hálók" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "Nem kovalens kötések" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "Molekulák atomjainak kvantumelmélete" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Szimmetria elemek" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Drótváz" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "Névtelen" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "Új nézet létrehozása" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periódusos táblázat" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Hiba történt a parancsfájl futtatásakor „%1 %2”: Időtúllépés várt a kezdésre " "(%3)." #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Hiba történt a(z) „%1 %2” parancsfájl futtatásakor: nem sikerült írni az " "„stdin”-nek (len=%3, %4 bájtot írt, QProcess hiba: %5)." #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Hiba történt a(z) „%1 %2” parancsfájl futtatásakor: Időtúllépés vár a " "befejezésre (%3)." #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Hiba történt a(z) „%1 %2” parancsfájl futtatásakor: Rendellenes kilépési " "állapot %3 (%4: %5)\n" "\n" "Kimenet:\n" "%6" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "Figyelmeztetés „%1”" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "A parancsfájl indítása nem sikerült." #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "A parancsfájl összeomlott." #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "A parancsfájl ideje lejárt." #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "Olvasási hiba." #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "Írási hiba." #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "Ismeretlen hiba." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Rétegek módosítása" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Réteg eltávolítása" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Rétegadatok eltávolítása" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Réteg hozzáadása" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Rétegadatok hozzáadása" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "Réteg módosítása" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Atom hozzáadása" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Atom eltávolítása" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "Atomok törlése" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Hidrogénatomok beállítása" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Elemek módosítása" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Elem cseréje" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "Atom hibridizáció módosítása" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "Atom formális töltésének módosítása" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "Atom színének módosítása" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "Atomréteg módosítása" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Kötés hozzáadása" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "Kötés eltávolítva" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "Kötések törlése" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "Kötésrendek beállítása" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Kötésrend módosítása" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "Kötések frissítése" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "Kötés frissítése" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "Egységcella hozzáadása…" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "Egységsejt eltávolítása" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "Egységsejt szerkesztése" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "Atomok a sejtbe körbefolyatása" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "Sejttérfogat méretaránya" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "Felsősejt összeállítása" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "Niggli-csökkentés" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "Szabványos tájolás elforgatása" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "Egyszerű csökkentése" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "Sejt hagyományosítása" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "Sejt átváltozása szimmetriára" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Egységsejt kitöltése" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "Sejt csökkentése aszimmetriaegységre" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "Atompozíciók módosítása" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "Atompozíció módosítása" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "Atomfelirat módosítása" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "Kijelölés módosítása" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Molekula módosítása" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "Beállítások" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "Nem sikerült betölteni a(z) %1 parancsfájlt" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "%1 parancsfájl keresése a(z) %2 elérési útban" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3Dmol HTML-blokk." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Fájl" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "&Exportálás" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "3Dmol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "Fe&lépítés" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Elem:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Rendezés" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" "Molekulák igazítása\n" "\n" "Bal egér: \tVálasszon ki legfeljebb két atomot.\n" "\tAz első atom középpontjában az origó található.\n" "\tA második atom a kiválasztott tengelyhez igazodik.\n" "Jobb egér: \tÁllítsa vissza az igazítást.\n" "Dupla kattintás: \tAz atom középpontba állítása az origóban." #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Tengely:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Igazítsa az eredethez" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "Igazítsa a tengelyhez" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "Központosítsa az atomot az eredetre." #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" "Forgassa el a molekulát, hogy az atomot a megadott tengelyhez igazítsa." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Igazítóeszköz" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Molekulák rendezése Descates-tengelyre" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "APBS futtatása…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Kimeneti fájl megnyitása…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "&Bemenet" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "Kimeneti fájl megnyitása" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX-fájl (*.dx)" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "Bemeneti/kimeneti hiba" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "Hiba történt a szerkezetfájl (%1) olvasásakor." #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "OpenDX hiba" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Hiba történt az OpenDX fájl olvasásakor: %1" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "Hiba történt az OpenDX fájl olvasásakor: Kocka nem található" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "APBS-közművek kölcsönhatása." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "PDB-fájl megnyitása" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB-fájlok (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "PQR-fájl megnyitása" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR-fájlok (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Hiba történt" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Hiba történt az APBS futtatásakor: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Kérjük, adja meg a PDB (Protein Data Bank - Fehérje adatbank)-fájlt" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "APBS bemeneti fájl mentése" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "APBS-bemenet (*.in)" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "Sikerült" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Bemeneti fájl mentve ide: %1" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "Egyedi szín szerint…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "Elem szerint" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "Lánc szerint" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "Részleges feltöltéssel…" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "Másodlagos szerkezet szerint" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "Aminosav szerint" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "Formásséma szerint" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "Hőség" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "Forró" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "Szürke" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "Pokol" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "Plazma" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "Kísérteties" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "Hideg meleg" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "Egyensúly" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Kék-sötétvörös" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "Turbó" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "Színsémák alkalmazása az atomokra és a maradékokra." #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Nézet" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "Atomok színezése" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "Maradék színezése" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "Színleképezés kijelölése" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "Színleképezés:" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "Színek alkalmazása" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Atomi méretarány" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Kötési méretarány" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "Átlátszóság" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Többszörös kötések megjelenítése" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Hidrogénatomok megjelenítése" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" "Atomok, mint gömbök megjelenítése. Kötések, mint hengerek megjelenítése." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Kötésközpontú kezelése" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "%L1°" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "%L1 Å" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Kötésközpontú-művelőeszköz." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "A molekuláris geometria szerkesztésére szolgáló eszköz a kötéshosszak és " "kötésszögek módosítatásával." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Kötésatomok" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "Kötésrendek érzékelése" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Kötések eltávolítása" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Kötési beállítások…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "Kijelölt atomok kötése" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "Kötés" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "Kötések eltávolítása az összes vagy a kijelölt atomról." #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "Kötések létrehozása az összes vagy a kijelölt atom között." #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "Kötésrendek érzékelése." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Kötés" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Kötési műveletek végrehajtása." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "Szerkezeti váz" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Nyomkövetés" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Cső" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Szalag" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Egyszerű fehérje szalag" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Fehérje szalag" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Kötél" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Biomolekula szalagok / fehérje szalagok megjelenítése." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Súlypont hozzáadása" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Tömegközéppont hozzáadása" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Merőleges hozzáadása" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Súlypont" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Súlypontok és tömegközéppont hozzáadása." #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "Legnagyobb távolság:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Vonalvastagság:" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Atomok között szoros érintkezések megjelenítése." #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "Érintkezés" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "Sóhíd" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "Taszító" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "Színes átlátszósági térkép szerkesztése…" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "Ki&terjesztések" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "Színes átlátszósági térkép" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" "Színes átlátszósági térképek szerkesztése, elsősorban térfogat-megjelenítés " "céljából." #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "&Parancsfájlok" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Hiba történt a(z) „%1” kimeneti fájl olvasásakor:\n" "%2" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "%1 feldolgozása" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "Python-értelmező elérési útja beállítása:" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Python-értelmező kijelölése a külső parancsfájlok futtatásához.\n" "Az Avogadro alkalmazást újra kell indítani, hogy a módosítások érvénybe " "lépjenek." #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "Parancsfájlok" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "Külső parancsfájl futtatása" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "Python beállításai…" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "Python telepítése" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "A Python számos Avogadro szolgáltatáshoz használatos. Szeretné letölteni a " "Python-t?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "Python beállítása" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Python-környezetek beállításai." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "Egyéb…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Atom&koordináta-szerkesztő…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Koordináta-szerkesztő" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Az atomkoordináták szövegszerkesztése." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Felülírni a módosításokat?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "A szöveges dokumentum módosult. Szeretné elvetni a módosításokat, és " "visszatérni a jelenlegi molekulához?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Túl kevés bejegyzés a sorban." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Érvénytelen elemnév." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Elemnév." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Érvénytelen kémiai elem szimbóluma." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Kémiai elem szimbóluma." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "Érvénytelen atomcímke." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Érvénytelen atomindex." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Atomi index." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Érvénytelen atomszám." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Atomszám." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Érvénytelen koordináta." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X koordináta." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y koordináta." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z koordináta." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "a-hálókoordináta." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "b-hálókoordináta." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "c-hálókoordináta." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Hiba történt a geometria alkalmazásakor" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Nem sikerült elemezni a geometria meghatározását. Javítsa ki a kiemelt " "hibákat, és próbálja újra.\n" "\n" "(Tipp: A hiba leírásához tartsa az egeret a piros szöveg fölé.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Atomkoordináták szerkesztése" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Egyéni" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ-formátum (szimbólumok)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ-formátum (nevek)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ-formátum (atomszámok)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Hálókoordináták (szimbólumok)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Hálókoordináták (nevek)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Hálókoordináták (atomszámok)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "GAMESS-formátum (szimbólumok)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "GAMESS-formátum (nevek)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "TURBOMOLE-formátum" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "Másolás" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "Egyszerűsített molekuláris bemeneti vonalbeviteli rendszer" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "InChI" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "Kivágás" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "Törlés" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "&Beillesztés" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "S&zerkesztés" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "Másolás másként" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "Hiba történt a molekula kivágásakor" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "Hiba történt a vágólapra vonatkozó adatok létrehozásakor." #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Kimeneti formátum: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Olvasó hiba:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "Hiba történt a molekula beillesztésekor" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Nem lehet beilleszteni a molekulát: Üres a vágólap!" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "Hiba történt a vágólap adatainak olvasásakor." #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Felismert formátum: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Másolás és beillesztés" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Vágólap kölcsönhatása." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2K bemenet" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "Bemenet létrehozása a CP2K számára." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "Energia és erők" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "Molekuladinamika" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "Geometria optimalizálása" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "Elektronikus szerkezeti módszerek (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "Molekulamechanika" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Hibrid klasszikus kvantum (Még nem támogatott)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "EGYIK SEM" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "ATOM" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "MAG" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "TÖRVÉNYEK" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "ELŐZMÉNYEK_TÖRLÉSE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "MOPAC (Molecular Orbital PACkage - Molekuláris orbitális csomag)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "VÉLETLEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "ÚJRAINDÍTÁS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "SPARSE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "Konjugált grádiensek" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" "DIIS (direct inversion in the iterative subspace - közvetlen inverzió az " "iteratív alűrben)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "Legmeredekebb ereszkedés" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "A bemeneti fájl módosult. Szeretné felülírni a módosításokat, hogy azok " "tükrözzék az új geometriát vagy feladatbeállításokat?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "Felülírja a módosított bemeneti fájlt?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "CP2K bemeneti fájl mentése" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "CP2K számítás elküldése" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Kristály importálása a vágólapról…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Egységsejt váltása" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Egységsejt szerkesztése…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "Atomoktól egységcelláig &körbefolyatása" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Szabványos tájolás el&forgatása" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Sejt&térfogat méretaránya…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "&Felsősejt összeállítása…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Sejtcsökkentés (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "&Kristály" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "&Egységsejt eltávolítása" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "&Egységsejt hozzáadása" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "Kristály importálása a vágólapról" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "Atomoktól egységcelláig körbefolyatása." #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "Egységcella elforgatása a szabványos tájolásba." #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "Niggli csökkentett kristály" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "Az egységsejt már csökkent." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Kristály" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Kristályspecifikus szerkesztő/elemző eszközök." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "Színes tengelyek:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Vonal színe:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Egység sejt határainak megjelenítése." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Szöveg nem elemezhető" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Nem sikerült az adatok olvasása a megadott formátummal." #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "Nincs egységsejt." #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "&Egyéni elemek újra hozzárendelése…" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "Egyéni elemtípusok manipulálása a jelenlegi molekulában." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Egyéni elemek" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Rajzolás" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Atom rajzolása" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "Kötés típusának módosítása" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "Kötés eltávolítása" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Távolság:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "%1 %L2" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Szerkesztő eszköz" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "Önműködő" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Egyszeres" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Kétszeres" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Háromszoros" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "&Importálás" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "PDB (Protein Data Bank - Fehérje adatbank) lekérése" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "A PDB-molekula nem olvasható: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB (Protein Data Bank - Fehérje adatbank) kód" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Letöltendő kémiai szerkezet." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Érvénytelen PDB-kód" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "A PDB-kódnak pontosan 4 karakter hosszúnak kell lennie." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "A PDB-kód első karakterének 1-9 között kell lennie." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "%1 lekérdezése" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Hálózati letöltés nem sikerült" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Hálózati időtúllépés vagy más hiba." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "A megadott molekula nem található: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "PDB (Protein Data Bank - Fehérje adatbank) lekérése" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "PDB-modellek letöltése a fehérjeadatbankból" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "Összpontosítás kijelölése" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "Összpontosítás eltávolítása" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Összpontosítás" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Meghatározott jellemzőkre összpontosítása a nézetben." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Atomi erőtérek képi megjelenítése a molekula számára." #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "Geometria optimalizálása" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "Erők" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "Beállítások…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "Kijelölt atomok lefagyása" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "Kijelölt atomok lefagyásának feloldása" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "S&zámítás" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "Nincsenek atomok az optimalizáláshoz" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 energia = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 Erő Norm = %L2" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "Erőtér optimalizálása" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "Erőtér minimalizálás, parancsfájlok beleértve" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Automatikus felismerés (%1)" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "Egyetemes erőtér" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "Általánosított borostyánsárga erőtér" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "Merck molekuláris erőtér 94" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "Hiba történt az energiaparancsfájl metaadatainak lekérésekor: %1" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "Hiba történt az energiaparancsfájl metaadatainak elemzésekor: %1" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" "Hiba történt az energiaparancsfájl metaadatainak elemzésekor: %1\n" "Az eredmény nem JSON-objektum.\n" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESS bemenet" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Bemenet létrehozása a GAMESS számára." #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "Egyetlen pont" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Egyensúlyi geometria" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Átmeneti állapot" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Frekvenciák" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Mag potenciál" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gáz" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Víz" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Szinglett" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Dublett" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Triplett" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Dikation" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Kation" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Semleges" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "GAMESS bemeneti fájl mentése" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "GAMESS számítás elküldése" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "Hidrogénatomok &beállítása" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Hidrogénatomok hozzáadása" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Felesleges hidrogénatomok el&távolítása" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Minden hidrogénatom eltávolítása" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "Hidrogénatomok hozzáadása/eltávolítása a jelenlegi molekulából." #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "&Hidrogénatomok" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrogénatomok" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "PQR-&keresés…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "PQR importálása" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "PQR-molekula letöltése." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNS/RNS…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Beszúrás" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "DNS/RNS beszúrása…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "Uracil" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "Timin" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "Molekula beszúrása…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "3D molekula létrehozása…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "DNS beszúrása" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "DNS/RNS-töredékek beszúrása párbeszédpanelen keresztül." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "Molekula…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Kristály…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "Hiba történt a fájl olvasásakor (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "Kristály importálása" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Töredék beillesztése" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Töredék beillesztése" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Molekulatöredék beillesztése nagyobb molekulák létrehozásához." #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "Szín:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "Távolság a központtól:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Nincs" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "Tárgymutató" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "Egyedi azonosító" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Elem" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "Elemnév és elemszám" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "Elem és azonosító" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "Részleges töltés" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "Atomi címke:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "Azonosító" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "Név" #: qtplugins/label/label.cpp:236 msgid " & " msgstr " és " #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "Maradékcímke:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Címkék megjelenítése labda és bot modellben." #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "Címkék szerkesztése" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "Címke létrehozása" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "Címkeszerkesztő eszköz" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPS bemenet" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Bemenet létrehozása a LAMMPS számára." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Szeretné frissíteni az előnézeti szöveget, elveszítve a LAMMPS (Large-scale " "Atomic/Molecular Massively Parallel Simulator - nagyméretű atomi/molekuláris " "tömegesen párhuzamos szimulátor) bemeneti fedélzet előnézeti ablaka összes " "módosítását?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Átlátszóság:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "Atom megjelenítése vonal- vagy pálcamodell szerint." #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "Leírók nem találhatók!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "Nem található sorformátumú olvasó!" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "A kért formátumolvasó betöltése nem sikerült." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "SorFormátumúBemenet" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" "Egysoros molekulaleírók betöltése egy beviteli párbeszédpanelen keresztül." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipulálás" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Manipuláló eszköz" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Mérés" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Diéderes:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Szög:" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "Szögek:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Méretezőeszköz" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "Sokszög hálók megjelenítése." #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(függőben)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "ismeretlen molekula" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "Tulajdonság" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "Molekulanév" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "Molekulatömeg (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "Kémiai képlet" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "Atomok száma" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "Kötések száma" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "Koordinátakészletek" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "Maradékok száma" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "Láncok száma" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "Nettó töltés" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "Nettó centrifugálási többszörösség" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "HOMO energia (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "LUMO energia (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "SOMO energia (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "Összenergia (hartree)" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "Nullapont energia (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "Entalpia (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "Entrópia (kcal/mol•K)" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "Gibbs-energia (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "&Molekuláris…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "Molekula általános tulajdonságok megtekintése." #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "&Elemzés" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Tulajdonságok" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Molekula tulajdonságai" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Molekula tulajdonságai" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "Exportálás CSV-fájlként" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV-fájlok (*.csv);;Minden fájl (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "Nem lehetett megnyitni a fájlt íráshoz." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "Hiba történt a fájl írása közben." #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "Exportálás…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigálás" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "Forgassa el a jelenetet az x, y vagy z tengely mentén." #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "A jelenet nagyítása." #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "Jelenet mozgassa." #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "A nagyítás fordított iránya a görgetésen" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" "Alapértelmezett: Lefelé görgetés a kicsinyítéséhez, felfelé görgetés a " "nagyításához\n" "Fordított: Felfelé görgetés a kicsinyítéséhez, lefelé görgetés a nagyításához" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Navigációs eszköz" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Kémiai név" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Hálózati adatbázisok" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Online adatbázisokkal, lekérdezési struktúrákkal kölcsönhatása." #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "Szögtűrés:" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Néhány nem kovalens kölcsönhatás megjelenítése." #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "Halogén" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "Kalkogén" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "Erőtér beállítása…" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "Konformer keresése…" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "Kötések érzékelése" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "Hidrogénatomok hozzáadása a pH szint értékhez…" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "Hidrogénatomok eltávolítása" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1 nem található! Az Open Babel beépülő modul műveleteinek letiltása." #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "&Open Babel kémiai eszköztár" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" "Az „Open Babel” kémiai eszköztár fájlformátumok nem állnak készen a " "hozzáadásra." #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "Molekula betöltése az Open Babelből…" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Belső hiba történt: OpenBabel::readMolecule meghívva, de az elemzéshez nem " "elérhető obabel kimenet!" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "Hiba történt az „Open Babel” kémiai eszköztár (%1) futtatása közben." #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "Hiba történt az „Open Babel” kémiai eszköztár kimenet elemzésekor." #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Hiba történt a támogatott erőterek listájának lekérésekor. („%1” " "használatával)." #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "A molekula érvénytelen. Nem lehet optimalizálni a geometriát." #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "A geometria nem optimalizálható az „Open Babel” kémiai eszköztárával." #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "Geometria optimalizálása („Open Babel” kémiai eszköztár)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "Létrehozás folyamatban…" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Belső hiba történt a jelenlegi molekula Open Babel-képviseletének " "létrehozásakor." #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "%1 indítása…" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "%1. lépés, összesen: %2\n" "Jelenlegi energia: %3\n" "ΔE: %4" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "Molekula frissítése…" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "Hiba történt az „Open Babel” kémiai eszköztár kimenet értelmezésekor." #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Az obabel kimenetben lévő atomok száma (%1) nem egyezik meg az eredeti " "molekula atomjainak számával (%2)." #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "Molekula érvénytelen. Nem lehet létrehozni a konformereket." #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" "Nem lehet létrehozni a konformereket az „Open Babel” kémiai eszköztár " "használatával." #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "Konformerek („Open Babel” kémiai eszköztár) létrehozása" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "Konformerek létrehozása" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" "A fájl megnyitása nem sikerült az „Open Babel” kémiai eszköztár " "használatával." #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Érvénytelen molekula: A kötések nem érzékelhetők." #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "Kötések érzékelése („Open Babel” kémiai eszköztár)" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "XYZ-képviselet létrehozása…" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "Hiba történt az XYZ karakterlánc létrehozásakor." #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Az XYZ átalakítása Open Babel-re a következővel: %1…" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "A molekula frissítése az Open Babelből…" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" "Hidrogénatomok hozzáadása nem lehetséges az „Open Babel” kémiai eszköztárral." #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "Hidrogénatomok hozzáadása („Open Babel” kémiai eszköztár)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "„Open Babel” kémiai eszköztár bemenet létrehozása…" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "Hiba történt az „Open Babel” kémiai eszköztári bemenet létrehozásakor." #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "%1 futtatása…" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "Hidrogénatomok hozzáadása a pH szint értékhez" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "Az obabel bemenet létrehozása…" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" "Hidrogénatomok eltávolítása nem lehetséges az „Open Babel” kémiai " "eszköztárával." #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "Hidrogénatomok eltávolítása („Open Babel” kémiai eszköztár)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "Hiba történt az „Open Babel” kémiai eszköztári adatok létrehozásakor." #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "Az obabel bemenet olvasása…" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Az „Open Babel” kémiai eszköztár futtatása folyamatban van. Várja meg a " "másik művelet befejeződését, majd próbálja meg újból." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "Open Babel kémiai eszköztár" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "„Open Babel” kémiai eszköztár kölcsönhatása." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "&OpenMM parancsfájl…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMM bemenet" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Bemenet létrehozása az OpenMM számára." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Szeretné frissíteni az előnézeti szöveget, elveszítve az OpenMM bemeneti " "fedélzet előnézeti ablaka összes módosítását?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "Igaz" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "Referenciatengelyek" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "Referenciatengelyek átfedése" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "A referenciatengelyek megjelenítése a kijelző sarkában." #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "Lejátszó" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "Lejátszás" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Leállítás" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "Képkockasebesség:" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr " képkocka/másodperc" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "Képkocka:" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " / %0" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "Dinamikus kötések?" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "Rajzfilmfájl felvétele…" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "Rajzfilmfájl (*.mp4)" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "Bittérképes grafika exportálása" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Rajzfilmfájl (*.mp4);;Rajzfilmfájl (*.avi);;GIF-fájl (*.gif)" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "GIF-fájl (*.gif)" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "GIF-fájl képkocka/másodperc támogatási figyelmeztetés" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" "A GIF-fájlformátum nem támogatja a 100 képkocka/másodperc feletti " "képsebességet." #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "Rajzfilmfájl (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "Hiba történt: nem sikerült képkockát hozzáadni a videóhoz." #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "%1 fájl mentése nem sikerult." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Lejátszó eszköz" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Pályák lejátszása" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "Pár eloszlásfüggvény ábrázolása…" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "Nem sikerült létrehozni a pár eloszlásfüggvény (PDF) mintát" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "Hibaüzenet: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "Pár eloszlásfüggvény ábrázolása" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Pár elosztásfüggvény létrehozása és ábrázolása." #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "Gyök-közép-négyzet eltérés függvény ábrázolása…" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "Gyök-közép-négyzet eltérés függvény ábrázolása" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "Gyök-közép-négyzet eltérés függvény létrehozása és ábrázolása." #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "Elméleti röntgendiffrakciós minta ábrázolása…" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "Röntgendiffrakciós minta létrehozása nem sikerült" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" "Nem sikerült átalakítani a molekulát kristálytani információs fájlformátumba " "(CIF-fájl)." #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "A genXrdPattern-ből olvasott adatok sérültnek tűnnek!" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "Hiba történt: nem található genXrdPattern végrehajtható fájl!" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "Hiba történt: " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "Röntgendiffrakciós minta ábrázolása" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" "Elméleti röntgendiffrakciós minta létrehozása és ábrázolása ObjCryst ++ " "használatával." #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "Frissítés" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "Verzió" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "Leírás" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "Hiba történt a beépülő modul adatainak letöltése közben." #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "Hiba történt a beépülő modul adatainak elemzése közben." #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "Ehhez a beépülő modulhoz bizonyos csomagok telepítése szükséges.\n" "Telepíteni szeretné őket?" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "Mindig" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "Soha" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "%1-%2 letöltése\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "%1-%2 kicsomagolása\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "%1 fájl befejezve\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "A fájlok kicsomagolása sikeresen megtörtént.\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "Hiba történt a kivonás során: %1" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "Beépülő modulok letöltése…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Beépülő modulok letöltése" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Beépülő modulok letöltése a GitHub adattáraiból." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY megjelenítése…" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "Fájl mentése" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY-fájl (*.ply);;Szövegfájl (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "A jelenet megjelenítése a PLY használatával." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray megjelenítése…" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray-fájl (*.pov);;Szövegfájl (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" "A jelenet megjelenítése a látás kitartása sugárjelző (POV-Ray) segítségével." #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Vegyérték" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "Hivatalos töltés" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "Szín" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Típus" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "&Atomanimáció indítása" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "Utolsó atom" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "Kötésrend" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Hosszúság (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "Lánc" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "Másodlagos szerkezet" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "Heterogén" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "1. atom" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Csúcs" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "3. atom" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "Szög (°)" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "2. atom" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "4. atom" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "Töredék beállítása" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "π-spirál" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "Hajlítás" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "α-spirál" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "β-lap" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3_10-spirál" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "β-híd" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "Fordulás" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "Tekercs" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Atom tulajdonságai…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Kötés tulajdonságai…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Szög tulajdonságai…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Csavarodás tulajdonságai…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Maradék tulajdonságai…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" "Táblázatok az atom-, kötés-, szög- és csavarodás tulajdonságok " "megjelenítésére és szerkesztésére." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "Tulajdonságtáblázok" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Atom tulajdonságai" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Kötés tulajdonságai" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Szög tulajdonságai" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Csavarodás tulajdonságai" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Konformer tulajdonságai" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "Maradék tulajdonságai" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "Molekulák atomjainak kvantumelmélete" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" "Egyszerű kijelző az atomok kvantumelméletével a molekulák tulajdonságaiban" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Molekuladiagram…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "Molekuláris ábrázolása magányos párral…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "Atomi töltés…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "WFN-fájl megnyitása" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN-fájlok (*.wfn);;Minden fájl (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Molekulák atomjainak kvantumelmélete kiterjesztése" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "Kvantum bemenet" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "Bemenet létrehozása a kvantumkódok számára." #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "Középre" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "Nézet igazítása a tengelyekhez" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "Nézet igazítása a tengelyekhez." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Nézet visszaállítása" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Nézet kamera manipulálása." #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "Parancsfájl töltési modellek" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "Elektrosztatikus modellek betöltése külső parancsfájlokból." #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "Parancsfájl formátumok" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "Fájlolvasók/fájlírók betöltése külső parancsfájlokből." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Összes kijelölése" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Kijelölés megszüntetése" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Kijelölés megfordítása" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Elem szerinti kijelölése…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Atomindex szerint kijelölése…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Maradék szerint kijelölése…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "Gerincatomok kijelölése…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "Oldalláncatomok kijelölése…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "Víz kijelölése" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "Kijelölés nagyítása" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "Kijelölés csökkentése" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "Új réteg létrehozása a kijelölésből" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Kijelölések módosítása" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "Ki&jelölés" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Elem kijelölése" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "Gerincatomok kijelölése" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "Oldalláncatomok kijelölése" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Index szerint atom kijelölése" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Atomok kijelölése:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Atom kijelölése" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Maradék szerint atomok kijelölése" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Maradékok kijelölésondó:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "Maradékatomok kijelölése" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "Kijelölés" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Kijelölés" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "Atomok kirajzolása" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Kijelölőeszköz" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "Új réteg" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "Tércsoport észlelése…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "Szimmetria átváltozása" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "Egységsejt kitöltése…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "Aszimmetriaegységre csökkentése" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "Tűréshatár beállítása…" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "Tércsoport" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "Szimmetrikus atomok kitöltése a kristálytércsoport alapján." #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "Tércsoport észlelése" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "A tércsoport már be van állítva a következőre: %1.\n" "Szeretné felülírni?" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "Hiba" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Tércsoport észlelése nem sikerült.\n" "Új tűréshatárral próbálja újra?" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "Egyszerű csökkentése" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "A tűréshatár jelenleg: %1.\n" "Folytassa ezzel a tűréshatárral?" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Az egyszerű csökkentése nem sikerült.\n" "Kérjük, ellenőrizze a kristályt, és próbálkozzon újra más tűréssel." #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "A sejt hagyományosítása nem sikerült.\n" "Kérjük, ellenőrizze a kristályt, és próbálkozzon újra más tűréssel." #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "A szimmetria nem sikerült.\n" "Kérjük, ellenőrizze a kristályt, és próbálkozzon újra más tűréssel." #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "Tűréshatár kijelölése (Å):" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "Külföldi" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "Terem" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "Tércsoport kijelölése" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "Tércsoport" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "A tércsoport jellemzői a kristályokhoz." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "Spektrumok ábrázolása…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "Spektrumok" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "Spektrábrák megjelenítése." #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "Infravörös" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "Elektronikus" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "Körforgásos dikroizmus" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "Állapotok sűrűsége" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Háttérszín kijelölése" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Előtérszín kijelölése" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "Számított spektrum színének kijelölése" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "Importált spektrum színének kijelölése" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "Rezgési spektrumok" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "Hullámszám (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "Átvitel" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "Raman-spektrum" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "Erősség" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "NMR-spektrum" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "Kémiai eltolódás (millió rész)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "Elektronikus spektrum" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Energia (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "Körforgásos dikroizmus spektruma" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "Sűrűség" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Szimmetria" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "Oldószer hozzáférhető" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "Oldószer kizárva" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Molekulapálya" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Elektronsűrűség" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "Centrifugálási sűrűség" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "%L1. molekulapálya" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(Legmagasabb elfoglalt molekulapálya)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(Legalacsonyabb szabad molekulapálya)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "Fájlból" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "Felületek létrehozása…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "Van der Waals felületének rajzolása" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "Van der Waals molekulafelületének rajzolása." #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "Oldószerrel hozzáférhető molekulafelületének rajzolása." #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "Oldószertől kizárt molekulafelületének rajzolása." #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "Molekulapálya rajzolása." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "Elektronsűrűség rajzolása." #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "Centrifugálási sűrűségének rajzolása." #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "Fájlhoz mellékelt kocka rajzolása." #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "Elektronsűrűség számítása folyamatban van…" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "Centrifugálási sűrűség kiszámítása folyamatban van…" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Molekuláris pálya kiszámítása: %L1" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "AVI-rajzfilmfájl (*.avi)" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "Rajzfilmfájl exportálása" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "MP4-rajzfilmfájl (*.mp4);;AVI-rajzfilmfájl (*.avi);;GIF-fájl (*.gif)" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Felületek" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Felületek beolvasása és megjelenítése." #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "&SVG-fájl…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG-fájl (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG-fájl" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "A jelenet megjelenítése SVG-fájlban." #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "Osztály" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "Szimmetria…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Szimmetriatevékenység engedélyezése." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Szimmetria elemek megjelenítése." #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "Csoport név %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "Sablon" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "Sablon beszúrása" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "Ligand beszúrása" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "Sabloneszköz" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Van der Waals gömbök egyszerű megjelenítése." #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "Rezgési módok…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "Rezgési módok párbeszédpanel megjelenítése." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Rezgési mód beállítása." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "Rezgési amplitúdó beállítása." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "Rezgés-animáció indítása." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "Rezgés-animáció leállítása." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "Rezgés" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "Rezgési módok megjelenítése." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "Virtuális valóságot modellező nyelv megjelenítése…" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML-fájl (*.wrl);;Szövegfájl (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML-fájl" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "A jelenet megjelenítése a virtuális valóságot modellező nyelvvel." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Drótkeret molekulai diagram megjelenítése." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "Sávszerkezet kiszámítása…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&YAeHMOP" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "Sávstruktúra kiszámítása nem sikerült: nincs egységsejt!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "YAeHMOP (Yet Another extended Huckel Molecular Orbital Package – Még egy " "kiterjesztett Huckel molekuláris orbitális csomag) végrehajtása a következő " "hibával sikertelen:\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "Nem sikerült a YAeHMOP sávszerkezet kimenet olvasása!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "Csak egy különleges k-pont található a YAeHMOP kimenetben! Kettő vagy több " "szükséges!" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "Sáv: %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "Fermi-szint" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "Yaehmop nem található" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "Hiba: %1 indítása nem sikerült" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "YAeHMOP bemenet" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "YAeHMOP" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Végezzen kiterjesztett Hückel számításokat a YAeHMOP segítségével." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Párbeszéd" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Űrlap" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Számítási beállítások" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "Helyőrző szöveg…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Visszaállítás" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "Hibakeresési parancsfájl…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "Számítás elküldése…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Bemenet mentése…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Várakozási sor és program:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "Frissítés" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" "

      Processzormagok szám foglalása a feladathoz.

      " #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Processzormagok:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" "

      A feladat befejezése után törölje a távoli " "munkafájlokat. Az eredmények továbbra is a helyi „MoleQueue” (Molekulasor) " "feladat gyorsítótárába kerülnek.

      " #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Távoli fájlok törlése amikor befejezve:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" "

      Jelölje be, hogy alapértelmezés szerint ne jelenjen " "meg a feladat a „MoleQueue” (Molekulasor) grafikus felhasználói felületén." #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Feladat elrejtése a „MoleQueue” (Molekulasor)-ban:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" "

      Rendszerértesítő előugró ablak megjelenítése amikor a " "feladat állapota megváltozik.

      " #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Állapot értesítések megjelenítése:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Kimenet megnyitása amikor befejezve:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Elemek átnevezése" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "Töredék beillesztése…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Szűrés:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Adjon meg egy nevet vagy annak egy részét, hogy csak a megfelelő fájlok " "jelenjenek meg." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Beszúrás" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "3Dmol HTML-kódrészlet" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Vágólapra másolás" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Szerkezet bemeneti fájl" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Bemenet létrehozása a (PDB) fehérjeadatbankból" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB (Protein Data Bank - Fehérje adatbank)-fájl:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Erőtér:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "Elemzés" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "PDB2PQR futtatása" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Meglévő PQR-fájl megnyitása" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR-fájl:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "APBS bemeneti fájl" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Bemeneti fájl mentése" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "APBS futtatása" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Sikerült!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Szerkezetfájl betöltése" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Kockafájl betöltése" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "Részleges töltések" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "Töltés-modell:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Távolsági tűréshatár:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Legkisebb távolság:" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "Térfogat megjelenítése" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "Kocka" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "Térfogati megjelenítés engedélyezése" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "Felületi megjelenítés engedélyezése" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "Iso-érték" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "Csak az „alap” konda környezet létezik.\n" "Szeretne új környezetet teremteni az Avogadro számára?\n" "Ez másolatot készít az alapkörnyezetről.\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "Környezetnév:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "A parancsfájlok kijelölésének futtatására használt Python verzió.\n" "Az Avogadro alkalmazást újra kell indítani, hogy a változtatások életbe " "lépjenek." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "Környezet:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Koordinátor szerkesztő" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Alap:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Távolság mértékegysége:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Angström" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formátum:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" "

      Formátum meghatározása. Minden karakter az atomonként " "írandó értéket jelzi:

      # - " "Atomi tárgymutató (1, 2, …, atomok száma)
      Z - Atomszám (pl. „6” a szén esetében)
      G - GAMESS-stílusú atomszám (pl. „6.0” a szén " "esetében)
      N - Elem neve (pl. " "„Szén”)
      S - Elem szimbólum (pl. " "\"C\" a szén esetében)
      L - " "Atomcímke (pl. „C2” a második szénatom, „H1” az első hidrogén)
      x - X pozíció koordináta
      y - Y pozíció koordináta
      z - Z pozíció koordináta
      a - a-hálókoordináta (csak kristályok)
      b - b-hálókoordináta (csak " "kristályok)
      c - c-" "hálókoordináta (csak kristályok)
      _ - Szó szerinti szóköz („ ”), hasznos az igazításhoz
      0 - Szó szerinti 0 („0”), hasznos az " "optimalizálási zászlókhoz
      1 - " "Szó szerinti 1 („1”), hasznos az optimalizálási zászlókhoz

      " #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "Súgó…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Beillesztés" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Visszaállítás" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Alkalmaz" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2K bemenet" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Mindent visszaállít" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Alapértelmezések" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "Fájl mentése…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Alap beállítások" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Cím:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "Fájlnév alap:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "Feladat" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Kiszámítás:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Módszer:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Alapkészlet:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Függvényes" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Emax spline centrifuga" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Poisson EWALD típus" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Poisson EWALD alfa" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "Poisson EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "IGAZ" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF TALÁLGATÁSA" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "KÜLSŐ LEGNAGYOBB SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "KÜLSŐ EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMALIZÁLÓ" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" "Fájlkiterjesztés az „Open Babel” kémiai eszköztár átalakításához " "(alapértelmezett: Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Felsősejt paraméterei" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Felsősejt beállításai" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A ismétlése:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B ismétlése:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C ismétlése:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "Egységsejtszerkesztő" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Sejtmátrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Törtmátrix:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "Atomok á&talakítása" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Alkalmazás" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Visszaállítás" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Elrejtés" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Egységi sejttérfogat méretaránya" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "Új &térfogat:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Méretezési tényező:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Jelenlegi térfogat:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Szövegcímke" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Kötésrend:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Geometria optimalizálási paraméterek" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Összefolyatás ismérv" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "Energia összefolyattatása:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Lépéskorlát:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " egység" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " lépés" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "Gradiens összefolyattatása:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Optimalizálási módszer" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Erőtér:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Automatikus felismerés" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS bevitel" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Ebben:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Többszörösség:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Ezzel:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Töltés:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "PQR importálása…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Keresés" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "név" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "címke" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "rokon értelmű szó" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "képlet" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Keresés: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Képlet:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Letöltés" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Név:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Nukleinsavak beszúrása" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "DNS/RNS-készítő" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNS" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNS" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Nukleinsavak:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Citozin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Sorozat:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "a bázispárok száma spirálfordulatonként" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "Egyéb" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Bázis spirálfordulatonként:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Szálak:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "Egyszeres" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Kétszeres" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPS bemenet" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Bemeneti fájl megjegyzéseit" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Egységstílus kijelölése a szimuláció felhasználásakor." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" "\n" "\n" "

      https://lammps.sandia.gov/doc/units.html

      " #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Egységek" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "valós" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "fém" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elektron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Vízpotenciál" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Az adatfájl által használt „atom_style” (atom_stílus) kijelölése." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" "\n" "\n" "

      https://lammps.sandia.gov/doc/atom_style.html" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Atomstílus" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "szög" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atom" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "kötés" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "töltés" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipól" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "ellipszoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "teljes" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "vonal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molekuláris" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "gömb" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "három" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "hullámcsomag" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Adja meg a koordinátafájlhoz használandó nevet." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Koordináta adatfájl" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Együttes" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Hőmérséklet" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Nosé-Hoover láncok száma kijelölése az NVT együttesben." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "NH-láncok" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "A szimuláció-időlépés egységekben az „Egységek” meghatározás szerint." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Időlépés" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "A szimuláció során írandó XYZ-fájl fájlneve." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "XYZ biztonsági másolat" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Méretek száma a rendszerben." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Méretek" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Z végpont stílusának módosítása." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "fm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Y végpont stílusának módosítása." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "X végpont stílusának módosítása." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "Határstílusok az X, Y és Z irányok kijelölésében." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Végpont" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Megismétlési száma a X, Y és Z irányban." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Megismétlés" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Megismétlési száma az X irányban." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Megismétlési száma az Y irányban." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Megismétlési száma a Z irányban." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "A szimulátor időlépéseinek száma." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Összes lépés" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Memóriaképi időköz" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Kezdeti atomsebességek beállítása a szimulációhoz." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Kezdeti sebességek" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Válassza ki a kezdeti atomsebességek eloszlását." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gauss" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "egységes" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "Kezdeti atomsebességek beállítása ennek a hőmérsékletnek megfelelően." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "A rendszeri lineáris lendület eltávolítása a kezdeti sebességekről." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Nulla lineáris lendület" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "A rendszeri perdület eltávolítása a kezdeti sebességekről." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Nulla perdület" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Szabályozza a termodinamikai kimenetet a szimuláció során." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Kimenet" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Kimeneti időköz" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Termodinamikai kimeneti stílus." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Egy sor" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Többsoros" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Űrlap használata" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "Létrehozás…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Leíró:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Fordító:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Forgatás a következő körül:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Eredet" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X-tengely" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y-tengely" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z-tengely" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Konformer keresés" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Módszer" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "Konformerek száma:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Rendszeres rotor keresés" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Véletlen rotor keresés" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Súlyozott rotor keresés" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Genetikai algoritmus keresése" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "Optimalizálás konformerenként:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Genetikai algoritmus beállításai" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "gyermekek száma minden szülő geometria számára" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "Gyermekek:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "mutációs gyakoriság (alacsonyabb = gyakrabban fordul elő)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "Változékonyság:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "azonos nemzedékek száma a konvergencia eléréséig" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "Konvergencia:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "Pontozási módszer:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" "pontozási módszer a genetikai algoritmushoz (RMSD = geometriai távolság, " "energia = legalacsonyabb energiák)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "RMSD" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Optimalizáló algoritmus:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Vonalkeresési módszer:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Legmeredekebb ereszkedés" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "Konjugált gradiens" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Egyszerű" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Newton módszer" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "Nem-kötés kölcsönhatások korlátozása" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "Van der Waals levágási távolság:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Páros frissítési gyakoriság:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "elektrosztatikus levágási távolság:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "Å" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "„Energia” összefolyattatása:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "OpenMM parancsfájlkészítő" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Feladat parancsfájl:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "parancsfájl" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Bemeneti koordináták:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Bemeneti topológia:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Erőtér:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Vízmodell:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Implicit oldószer (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Rendszer:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Referencia" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "Processzor" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Pontosság:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "egyszeres" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "vegyes" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "kétszeres" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Eszköztárgymutató:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "OpenCL-rendszer tárgymutató:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "Nem-kötési módszer:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "Nincs levágás" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "Nem időszakos levágás" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "Időszakos levágás" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Ewald tűréshatára:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Megszorítások:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "H kötések" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "Minden kötés" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "Vízszintes szögek" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "Megszorítási tűréshatár:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "Merev víz?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "Hamis" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "Nem-kötési levágás:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr " nm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Véletlenszerű kezdeti sebesség:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Hőmérséklet létrehozása:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrátor:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Brownian" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "VáltozóLangevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "VáltozóVerlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "Időlépés:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr " fs" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Hibatűrés:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Ütközési arány:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "/ps" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Hőmérséklet:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Barostat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Nyomás:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr " atm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Barostat-i időköz" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Jelentéstevők:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "Állapotadatok" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB (Protein Data Bank - Fehérje adatbank)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Jelentési időköz:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "Kiegyensúlyozási lépések:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Gyártási lépések:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Minimalizálni?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Legnagyobb minimalizálási lépések:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "StateData (ÁllapotAdatok) beállításai:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Lépési tárgymutató" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Idő" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Sebesség" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Állapot" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Helyzeti energia" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Mozgási energia" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Összes energia" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "Térfogat" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "Pár eloszlásfüggvény ábrázolása beállításai" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Legnagyobb sugár:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Lépés (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Elméleti röntgendiffrakciós minta beállításai" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" "

      A csúcs kiszélesítése az alapnál (fokban).

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" "

      A legnagyobb 2θ érték fokban.

      Alapértelmezett: " "162.00°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" "

      A csúcsok kiszélesedése a tövében fokban.

      Alapértelmezett: 0.52958°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Pontok száma:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Csúcs szélessége:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Hullámhossz:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" "

      A röntgen hullámhossza Angströmben.

      Alapértelmezett: 1.50560 Å

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" "

      A létrehozandó 2θ pont száma.

      Alapértelmezett: " "1000

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "Legnagyobb 2θ:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Letöltés kijelölve" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Kritikus pont sugara:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Kötési út sugara:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Kovalens kötések" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Állandó méret" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Szín alkalmazása" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "Spektrábrázolás" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "Nagyítási tényező" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "Legalacsonyabb X-tengely:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "Legnagyobb X-tengely:" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "Eltolás:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "Legnagyobb Y-tengely:" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "Legalacsonyabb Y-tengely:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "Csúcs szélessége:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "Csúcs küszöbérték:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "Meg&jelenés" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Megjelenítés" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "Kísérleti spektrumok CSV-fájl importálása, átfedés az ábrán." #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Importálás..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Színbeállítás..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Importált spektrum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Exportálás…" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Háttér:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "Számított spektrum:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "Betűméret:" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "Vonalszélesség:" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Adatok exportálása" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Bezárás" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&Beállítások…" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Vezérlők:\n" "Kattintson duplán a bal egérgombbal: Az alapértelmezett tengelykorlátok " "visszaállítása\n" "Jobb kattintás + húzás: Terület mozgatása\n" "Középső kattintás + húzás: Nagyítás a régióra\n" "Görgető: Nagyítás a kurzorra" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "&Adatok betöltése..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Nagyon alacsony" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Alacsony" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Közepes" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Magas" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Nagyon magas" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Felületek létrehozása" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Felület:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "ɑ" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "β" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Szín szerint:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "Elektrosztatikus potenciál" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Felbontás:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Izofelületi érték:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr " , " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "Simítás:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Világos" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "Erős" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Számítás" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Szimmetrikusan egyenérték atomok:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Szimmetria lezárása" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Műveletek" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Szimmetria elemek:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Alcsoportok" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Alcsoportok:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tűréshatár:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Szoros" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normál" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Laza" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Nagyon laza" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Szimmetria észlelése" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "Középre" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "Hivatalos töltés:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "0" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "+1" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "+2" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "+3" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "+4" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "+5" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "+6" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "+7" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "Koordináció:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: Nyolcoldalú" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: Lineáris" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: Lineáris" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: Trigonális sík" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: Tetraéderes" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: Négyzetes sík" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: Trigonális bipiramis" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: Négyzetes piramis" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: Trigonális prizma" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: Ötszögletű bipiramis" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: Négyzetes antiprizma" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "Ligands" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "Típus:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "Egyesfogas" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "Kettesfogas" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "Hármasfogas" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "Negyésfogas" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "Hatosfogas" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "Haptikus" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "Vágólapról" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "Ligand:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Csoportok" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "Csoport:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "amid" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "karboxilát" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "észter" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "etilén" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "etin" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "nitro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "fenil" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "foszfát" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "szulfonát" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Rezgési módok" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitúdó:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "Animáció indítása" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "Animáció leállítása" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "YAeHMOP sáv" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Legalacsonyabb y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" "

      A négyzet bejelölése előtt ismernie kell a Fermi-" "szintet. A Fermi-szintet az állapotsűrűség számításának elvégzésével és az " "adatok megjelenítésével fedezheti fel (ez az adatok tetején lesz). " "Ezenkívül, ha az állapotok sűrűségének kiszámítását végzik, a Fermi-szint " "itt automatikusan arra lesz beállítva, amit az állapotok sűrűségének " "számítása során észleltünk.

      Ha ez a jelölőnégyzet be van jelölve, " "győződjön meg arról, hogy a megfelelő Fermi-szint van beállítva a jobb " "oldali spinboxban.

      Alapértelmezett: kikapcsolva

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "Fermi ábrázolása?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" "

      Energiák beállítása úgy, hogy a Fermi-szint nullát? " "Csak akkor érhető el, ha a Fermi-szintet meg van ábrázolva.


      Alapértelmezett: kikapcsolva

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "Nulla Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "A különleges k-pontokat összekötő k-pontok száma:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Különleges k-pontok" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Legnagyobb y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "

      A Fermi-szint

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" "

      Adja meg a különleges k-pontokat, mint ilyeneket:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      Amely <" "symbol> <x> <y> <z> ahol x, y és z töredékes kölcsönös " "térkoordináták. Ezeket a grafikonon lévő k-pontokat összekötő vonalakat " "húzunk a sorrendben. Kérjük, vegye figyelembe, hogy a sejt tájolása hatással " "lehet ezeknek a kölcsönös térközöknek a helyére.

      Ha a kristály " "tércsoportját észleltük vagy beállítottuk, a különleges k-pontok önműködően " "feltöltődnek az adott tércsoport egyszerűsejt magas szimmetriapontjaival. " "Van néhány tércsoport, amelyek a rács függvényében különböző magas " "szimmetriapontokkal rendelkeznek (például ha a > b vagy a < b) – " "amelyet önműködően figyelembe vesz.

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" "

      Adja meg a különleges k-pontokat összekötő k-pontok " "számát. Ezen k-pontok közül több simítja az ábrázolást, de a számítás tovább " "tarthat.

      Alapértelmezett: 40

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" "

      Korlátozza az ábrán az y-tartományt?

      Alapértelmezett: kikapcsolva

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "Korlátozza az y-tartomány?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" "

      Az időszakos dimenziók száma.


      Ha ezt " "1-re van beállítva, akkor az anyag periodikus lesz csak a kristály A-vektora " "mentén.


      Ha ezt 2-re van beállítva, akkor az anyag " "periodikus lesz a kristály A- és B-vektora mentén.


      Ha ezt " "3-ra van beállítva, akkor az anyag periodikus lesz a kristály A-, B- és C-" "vektora mentén.


      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Méretek száma:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "YAeHMOP bemenet megjelenítése?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "Óvári" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "E-mail-címek" #~ msgid "eV" #~ msgstr "eV" #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "Részleges töltés" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Kötésközpontú-művelőeszköz\n" #~ "\n" #~ "Bal egérgomb:\tKattintson és húzza a nézet elforgatásához.\n" #~ "Középső egérgomb:\tKattintson és húzza a nagyításhoz vagy " #~ "kicsinyítéshez.\n" #~ "Jobb egérgomb:\tKattintson és húzza a nézet mozgatásához.\n" #~ "Dupla kattintás:\tA nézet visszaállítása.\n" #~ "\n" #~ "Kattintson a bal egérgombbal, és húzza a kötvényt a műveletsík " #~ "beállításához.\n" #~ "Kattintson a bal egérgombbal, és húzza az egyik atomot a kötésben a szög " #~ "megváltoztatásához.\n" #~ "Kattintson a jobb egérgombbal, és húzza az egyik atomot a kötésben a " #~ "hossz megváltoztatásához." #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Rajzeszköz\n" #~ "\n" #~ "Bal egérgomb:\tKattintson és húzza az atomok és a kötés létrehozásához\n" #~ "Jobb egérgomb:\tAtom törlése" #~ msgid "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Atom címkeeszköz\n" #~ "\n" #~ "Bal egérgomb:\tEgyedi címkék hozzáadásához kattintson az atomokra" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Méretezőeszköz\n" #~ "\n" #~ "Bal egérgomb:\tJelölés ki legfeljebb négy atomot.\n" #~ "\tA távolságokat 1-2 és 2-3 között mérik\n" #~ "\tA szöget 1-3 között mérik, 2-vel közös pontként\n" #~ "\tA diéderest 1-2-3-4 között mérik\n" #~ "Jobb egérgomb:\tÁllítsa vissza a méréseket." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Navigációs eszköz\n" #~ "\n" #~ "Bal egérgomb:\tKattintson és húzza a nézet elforgatásához.\n" #~ "Középső egérgomb:\tKattintson és húzza a nagyításhoz vagy " #~ "kicsinyítéshez.\n" #~ "Jobb egérgomb:\tKattintson és húzza a nézet mozgatásához.\n" #~ msgid "Animation Tool" #~ msgstr "Animációs eszköz" #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Kijelölőeszköz\n" #~ "\n" #~ "Bal egérgomb:\tKattintson ide az egyes atomok, maradékok vagy töredékek " #~ "kijelöléséhez\n" #~ "\tHasználja a Ctrl billentyűt a kijelölés váltásához, és a Shift gombot a " #~ "kijelöléséhez való hozzáadáshoz.\n" #~ "\tHúzással jelöl ki az atomok tartományát\n" #~ "Jobb egérgomb:\tKattintson a molekulán kívülre a kijelölés törléséhez\n" #~ "Dupla kattintás:\tJelöl ki egy teljes töredéket." #~ msgid "" #~ "Template Tool\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "Sablon eszköz\n" #~ "\n" #~ "Helyezze be a töredékeket, beleértve a fém középpontokat is.\n" #~ "Elem és koordinációs geometria kijelölése, majd kattintson a töredék " #~ "beillesztéséhez.\n" #~ "\n" #~ "Ligandum vagy funkciós csoport kijelölése, és kattintson a hidrogénatomra " #~ "a csatoláshoz." #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals (környezeti elzáródás)" #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Művelőeszköz\n" #~ "\n" #~ "Bal egérgomb:\tKattintson és húzza az atomok mozgatásához.\n" #~ "Jobb egérgomb:\tKattintson és húzza a kijelölt atomok elforgatásához.\n" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "" #~ "Van der Waals gömbök egyszerű megjelenítése környezeti elzáródással." #~ msgid "Geometry" #~ msgstr "Geometria" #~ msgid "Add Unit Cell" #~ msgstr "Egységsejt hozzáadása" #~ msgid "By Atomic Index" #~ msgstr "Atomi index szerint" #~ msgid "By Distance" #~ msgstr "Távolság szerint" #~ msgid "Select Water…" #~ msgstr "Víz kijelölése…" #~ msgid "&Copy" #~ msgstr "&Másolás" #~ msgid "Molecule Name:" #~ msgstr "Molekulanév:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molekulatömeg (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Kémiai képlet:" #~ msgid "Number of Atoms:" #~ msgstr "Atomok száma:" #~ msgid "Number of Bonds:" #~ msgstr "Kötések száma:" #~ msgid "TODO" #~ msgstr "Tennivalók" #~ msgid "Line Size:" #~ msgstr "Vonalméret:" #~ msgid "Optimize" #~ msgstr "Optimalizálás" #~ msgid "In." #~ msgstr "Ebben." #~ msgid "El." #~ msgstr "El." #~ msgid "El.&No." #~ msgstr "El.&Sz." #~ msgid ", " #~ msgstr ", " #~ msgid "ABPS Input (*.in)" #~ msgstr "ABPS bemeneti fájlok (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "Python értelmező kijelölésa a bemeneti létrehozó parancsfájlok " #~ "futtatásához.\n" #~ "Kérjük, indítsa újra az Avogadro alkalmazást, hogy a módosítások érvénybe " #~ "lépjenek." #~ msgid "Set Python Path…" #~ msgstr "Python elérési útja beállítása…" #~ msgid "Fragment…" #~ msgstr "Töredék…" #~ msgid "Functional Groups" #~ msgstr "Függvényes csoportok" #~ msgid "Help..." #~ msgstr "Súgó…" #~ msgid "Submit Calculation..." #~ msgstr "Számítás elküldése…" #~ msgid "Save File..." #~ msgstr "Fájl mentése…" #~ msgid "Download Plugins..." #~ msgstr "Beépülő modulok letöltése…" #~ msgid "Record Movie..." #~ msgstr "Rajzfilmfájl felvétele…" #~ msgid "" #~ "The file name contains invalid characters. Please choose another file " #~ "name." #~ msgstr "" #~ "A fájlnév érvénytelen karaktereket tartalmaz. Kérjük, válasszon másik " #~ "fájlnevet." #~ msgid "Other..." #~ msgstr "Egyéb..." #~ msgid "Client server operations." #~ msgstr "Ügyfél/kiszolgáló műveletek." #~ msgid "S&erver" #~ msgstr "&Kiszolgáló" #~ msgid "Connection failed" #~ msgstr "A kapcsolódás sikertelen" #, qt-format #~ msgid "The connection to %2:%3 failed: connection refused." #~ msgstr "A(z) %2 kapcsolat:%3 nem sikerült:kapcsolódás elutasítva." #~ msgid "Remote service error" #~ msgstr "Távoli szolgáltatás hiba" #, qt-format #~ msgid "Connection failed with: %1" #~ msgstr "A kapcsolat nem sikerült a következővel: %1" #, qt-format #~ msgid "clientServer/%1:%2/lastOpenDir" #~ msgstr "ügyfélKiszolgáló/%1:%2/utoljáraMegnyitottKönyvtár" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*.%1" #~ msgid "Client server" #~ msgstr "Ügyfél/kiszolgáló" #~ msgid "Connection refused" #~ msgstr "Kapcsolódás elutasítva" #, qt-format #~ msgid "Connection to %2:%3 succeeded!" #~ msgstr "%2 kapcsolat:%3 sikerült!" #~ msgid "Filename" #~ msgstr "Fájlnév" #~ msgid "Formula" #~ msgstr "Képlet" #~ msgid "InChIKey" #~ msgstr "InChI kulcs" #~ msgid "&MongoChem" #~ msgstr "&MongoChem" #~ msgid "Mongo Chem Server" #~ msgstr "MongoChem kiszolgáló" #~ msgid "Interface with Mongo Chem Server." #~ msgstr "Felület a MongoChem kiszolgálóval." #~ msgid "YAeHMOP Band Structure" #~ msgstr "YAeHMOP-sávszerkezet" #~ msgid "Server settings" #~ msgstr "Kiszolgáló beállításai" #~ msgid "&Hostname:" #~ msgstr "Állomás&név:" #~ msgid "Port" #~ msgstr "Kikötő" #~ msgid "Test C&onnection..." #~ msgstr "&Kapcsolat ellenőrzése…" #~ msgid "Look in:" #~ msgstr "Keresés helye:" #~ msgid "Navigate Back" #~ msgstr "Lépés vissza" #~ msgid "Navigate Forward" #~ msgstr "Navigálás előre" #~ msgid "Navigate Up" #~ msgstr "Navigálás felfelé" #~ msgid "File name:" #~ msgstr "Fájlnév:" #~ msgid "OK" #~ msgstr "Rendben" #~ msgid "Files of type:" #~ msgstr "Fájlok típusa:" #~ msgid "Cancel" #~ msgstr "Mégsem" #~ msgid "MongoChem Config" #~ msgstr "MongoChem beállítása" #~ msgid "http://localhost:8080/api/v1" #~ msgstr "http://localhost:8080/api/v1" #~ msgid "API Key:" #~ msgstr "API-kulcs:" #~ msgid "Base URL:" #~ msgstr "Alap URL-cím:" #~ msgid "Config" #~ msgstr "Beállítás" #~ msgid "Upload" #~ msgstr "Feltöltés" #~ msgid "Docker" #~ msgstr "Docker" #~ msgid "Singularity" #~ msgstr "Egyedülállóság" #~ msgid "Container:" #~ msgstr "Tároló:" #~ msgid "Image:" #~ msgstr "Kép:" #~ msgid "openchemistry/psi4:latest" #~ msgstr "openchemistry/psi4:latest" #~ msgid "" #~ "\n" #~ "\n" #~ "

      {

      \n" #~ "

      \"theory\": \"dft\",

      \n" #~ "

      \"functional\": \"b3lyp\",

      \n" #~ "

      \"basis\": \"6-31g\",

      \n" #~ "

      \"task\": \"energy\"

      \n" #~ "

      }

      " #~ msgstr "" #~ "\n" #~ "\n" #~ "

      {

      \n" #~ "

      \"elmélet\": \"dft\",

      \n" #~ "

      \"függvényes\": \"b3lyp\",

      \n" #~ "

      \"bázis\": \"6-31g\",

      \n" #~ "

      \"feladat\": \"energia\"

      \n" #~ "

      }

      " #~ msgid "Input Parameters:" #~ msgstr "Bemenet paraméterei:" #~ msgid "Element & Ordinal" #~ msgstr "Elemnév és elemszáma" #~ msgid "'c' coordinate." #~ msgstr "c-hálókoordináta." #~ msgid "Error: could not find yaehmop executable!" #~ msgstr "" #~ "Hiba történt: nem található a YAeHMOP (Yet Another extended Huckel " #~ "Molecular Orbital Package – Még egy kiterjesztett Huckel molekuláris " #~ "orbitális csomag) végrehajtható fájlt!" #, qt-format #~ msgid "Error: %1 crashed!" #~ msgstr "Hiba történt: %1 összeomlott!" #, qt-format #~ msgid "Error: %1 finished abnormally with exit code %2" #~ msgstr "" #~ "Hiba történt: „%1” rendellenesen befejeződött a(z) „%2” kilépési kóddal" #~ msgid "octahedral" #~ msgstr "nyolcoldalú" #~ msgid "Layer" #~ msgstr "Réteg" #~ msgid "Insert Molecule..." #~ msgstr "Molekula beszúrása…" #~ msgid "Generating 3D molecule..." #~ msgstr "3D molekula létrehozása…" #~ msgid "Z Å)" #~ msgstr "Z (Å)" #, qt-format #~ msgid "%1: File exists and is not writable." #~ msgstr "%1: A fájl létezik és nem írható." #~ msgid "Simple display of Cartoons family." #~ msgstr "Rajzfilmi család egyszerű megjelenítése." #~ msgid "Error interpreting obabel CML output." #~ msgstr "" #~ "Hiba történt az obabel-CML (kémiai jelölési nyelv) kimenet értelmezésekor." #~ msgid "Error generating CML data." #~ msgstr "Hiba törtent a (kémiai jelölési nyelv) CML-adatok létrehozásakor." #~ msgid "Run APBS..." #~ msgstr "APBS futtatása…" #~ msgid "Open Output File..." #~ msgstr "Kimeneti fájl megnyitása…" #~ msgid "Edit Unit Cell..." #~ msgstr "Egységsejt szerkesztése…" #~ msgid "&GAMESS..." #~ msgstr "" #~ "&GAMESS (Általános atomi és molekuláris elektronikus szerkezetrendszer)…" #~ msgid "&Import From PQR" #~ msgstr "PQR &importálása" #~ msgid "Crystal..." #~ msgstr "Kristály…" #~ msgid "Write" #~ msgstr "Mentés" #~ msgid "SMILES..." #~ msgstr "SMILES..." #~ msgid "InChI..." #~ msgstr "InChI…" #~ msgid "Add Hydrogens for pH..." #~ msgstr "Hidrogénatomok hozzáadása a pH szint értékhez…" #~ msgid "Atom Properties..." #~ msgstr "Atom tulajdonságai..." #~ msgid "Bond Properties..." #~ msgstr "Kötés tulajdonságai…" #~ msgid "Angle Properties..." #~ msgstr "Szög tulajdonságai..." #~ msgid "Torsion Properties..." #~ msgstr "Csavarodás tulajdonságai…" #~ msgid "Residue Properties..." #~ msgstr "Maradék tulajdonságai…" #~ msgid "Create Surfaces..." #~ msgstr "Felületek létrehozása..." #~ msgid "Symmetry..." #~ msgstr "Szimmetria…" #~ msgid "&Exit" #~ msgstr "&Kilépés" #~ msgid "Ctrl+E" #~ msgstr "Ctrl+E" #~ msgid "Insert Fragment..." #~ msgstr "Töredék beillesztése…" #~ msgid "Theory:" #~ msgstr "Elmélet:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Távolság (3->4): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Forgatható" #, fuzzy #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "Konformer %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "Konformer %1" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Szög %1" #, fuzzy #~ msgid "Angle" #~ msgstr "Szög:" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "Konformer %1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torzió %1" #, fuzzy #~ msgid "Torsion" #~ msgstr "Torzió %1" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "Energia (kJ/mol)" #~ msgid "Yes" #~ msgstr "Igen" #~ msgid "No" #~ msgstr "Nem" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Bemenet-generátor..." #, fuzzy #~ msgid "Import" #~ msgstr "Importálás" #~ msgid "Insert SMILES" #~ msgstr "SMILES beillesztése" #~ msgid "Insert SMILES fragment:" #~ msgstr "SMILES-töredék beillesztése" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "Molekulatöredék beillesztése" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Molekulatöredék beillesztése nagyobb molekulák létrehozásához." #~ msgid "E&xtensions" #~ msgstr "K&iterjesztések" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&geometria optimalizáció" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometria optimalizálása" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Hidrogének hozzáadása" #, fuzzy #~ msgid "Stopped" #~ msgstr "Leállítás" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Felületek" #~ msgid "Color by Index" #~ msgstr "Szín index szerint" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Szín index szerint (piros, narancssárga, citromsárga, zöld, kék, lila)" #~ msgid "Color by Partial Charge" #~ msgstr "Szín parciális töltés szerint" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Szín atomi paricális töltés szerint (kék = pozitív, piros = negatív)" #~ msgid "Custom Color:" #~ msgstr "Egyedi szín:" #~ msgid "Set custom colors for objects" #~ msgstr "Saját színek beállítása objektumokra" #~ msgid "Color by Distance" #~ msgstr "Szín távolság szerint" #~ msgid "Color by distance from the first atom." #~ msgstr "Szín távolság szerint az első atomtól" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Színek elemek szerint (szén = zöld, oxigén = piros, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Szín molekularész szerint (aminosav-típus, hidrofobicitás, ..." #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Név" #~ msgid "Axes" #~ msgstr "Tengelyek" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Primitívek renderelése gömböt (atom) és pálcát (kötés) használva" #~ msgid "Hydrogen Bond" #~ msgstr "Hidrogén kötés" #~ msgid "Renders hydrogen bonds" #~ msgstr "Hidrogén kötések rajzolása" #~ msgid "Polygon" #~ msgstr "Sokszög" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Atom tetrahedron, oktahedron és más poligonok rajzolása" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "A fehérjevázat szalagként jelenítse meg." #~ msgid "Ring" #~ msgstr "Gyűrű" #~ msgid "Renders rings with colored planes" #~ msgstr "A gyűrűket színes síkoknak mutatja" #~ msgid "Simple Wireframe" #~ msgstr "Egyszerű drótváz" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "" #~ "a kötéseket drótként (vonalként) mutatja, ideális nagy molekulák esetén" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waals szférák" #~ msgid "Stick" #~ msgstr "Pálca" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Elektron sűrűség, isosurface=%L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosurface = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "A kötéseket pálcikáknak mutatja, ez ideális nagyon nagy (bio)molekulák " #~ "esetén" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr ".avi fájl kiterjesztés hozzáadása" #~ msgid "Animation..." #~ msgstr "Animáció" #~ msgid "Cannot read file format of file %1." #~ msgstr "Nem olvasható a fájlformátum a %1 fájlban" #~ msgid "Read trajectory file %1 failed." #~ msgstr "%1 trajektória fájl beolvasása nem sikerült" #~ msgid "Must specify a valid .avi file name" #~ msgstr "Határozza meg az .avi fájl pontos nevét" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "GL widget nincs megfelelően inicializálva ezért a video mentése nem " #~ "lehetséges." #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Érvénytelen video fájl név. Tartalmaznia kell az teljes elérési utat." #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Érvénytelen video fájl név. Tartalmaznia kell az teljes elérési utat, " #~ "valamint a fájlnévnek .avi-ra kell végződnie." #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animált trajektóriák, reakciók és vibrációk." #~ msgid "Cartesian Editor..." #~ msgstr "Descartes-i szerkesztő" #~ msgid "Number of atoms: %1" #~ msgstr "Atomok száma: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Az elforduló kötések száma: %1" #~ msgid "Add constraint" #~ msgstr "Megszorítások hozzáadása" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "A molekulának muszáj tartalmaznia legalább egy atomot hogy " #~ "megszorításokat hozzá lehessen adni." #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "A molekulának muszáj tartalmaznia legalább két hogy kötés megszorításokat " #~ "hozzá lehessen adni." #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "A molekulának muszáj tartalmaznia legalább három atomot hogy szög " #~ "megszorításokat hozzá lehessen adni." #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "A molekulának legalább négy atomot kell tartalmaznia hogy térszög " #~ "megszorítást lehessen hozzáadni." #~ msgid "Trajectory..." #~ msgstr "Trajektória..." #~ msgid "Open chemical file format" #~ msgstr "Kémiai fájl formátum megnyitása" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Kémiai fájlok (*.xyz)" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Kémiai fájlok (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Trajektória importálása" #~ msgid "Import trajectory files" #~ msgstr "Trajektória fájl importálása" #~ msgid "Calculate Energy" #~ msgstr "Energia kalkuláció" #~ msgid "Conformer Search..." #~ msgstr "Konformerek keresése..." #~ msgid "Constraints..." #~ msgstr "Megszorítások..." #~ msgid "Systematic Rotor Search" #~ msgstr "Szisztematikus forgópont-keresés" #~ msgid "Random Rotor Search" #~ msgstr "Véletlenszerű forgópont-keresés" #~ msgid "Weighted Rotor Search" #~ msgstr "Súlyozott forgópont-keresés" #~ msgid "ForceField" #~ msgstr "erőtér" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Molekulageometria optimalizálása és konformerek létrehozása a molekuláris " #~ "mechanikai erőterek használatával." #~ msgid "Change H to Methyl" #~ msgstr "H cseréje Metil csoportra" #~ msgid "H to Methyl" #~ msgstr "H metilcsoportra" #~ msgid "H2Methyl" #~ msgstr "H2Metil" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Hidrogéneket metil csoportokra transzformál" #~ msgid "Add or remove hydrogens" #~ msgstr "Hidrogének hozzáadása vagy eltávolítása" #~ msgid "Peptide..." #~ msgstr "Peptid..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Oligopeptid-szekvencia beillesztése" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Becsült dipólusmomentum (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Standard molekulatulajdonságok megjelenítése" #~ msgid "Fetch from URL..." #~ msgstr "Betöltés URL-ről..." #~ msgid "PDB Entry" #~ msgstr "PDB bejegyzés" #~ msgid "PDB entry to download." #~ msgstr "Letöltendő PDB bejegyzés" #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "Letöltendő molekula URL-je." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "A megadott molekulát nem lehet betölteni: %1" #~ msgid "Network Fetch" #~ msgstr "Hálózati letöltés" #~ msgid "Fetch molecule files over the network." #~ msgstr "Molekulafájlok letöltése a hálózatról." #~ msgid "Show Preview" #~ msgstr "Előnézet megjelenítése" #~ msgid "Hide Preview" #~ msgstr "A gyorsnézet elrejtése" #~ msgid "Save POV-Ray rendered image" #~ msgstr "POV-Ray által létrehozott kép tárolása" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Képfájlok (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Nincs megadva érvényes fájlnév." #~ msgid "Does not compute." #~ msgstr "Számítás nem fut." #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "Nem tud írni %1 fájlba. Van írási engedélyed erre a helyre?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray nem indult el." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "A POV-Ray nem indult el. Lehetséges hogy nem lett megfelelően megadva az " #~ "útvonal a futtatható fájlhoz." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "POV-Ray fájlok létrehozása és megjelenítése a parancssori POV-Ray " #~ "programmal" #~ msgid "Conformer Properties..." #~ msgstr "Konformer tulajdonságai..." #~ msgid "Python Terminal" #~ msgstr "Python terminál" #~ msgid "pythonTerminalDock" #~ msgstr "Python terminál ablak" #~ msgid "Interactive python scripting terminal" #~ msgstr "Interaktív Python parancsnyelvi terminál" #~ msgid "QM Matches" #~ msgstr "QM-egyezések" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP kiválasztás..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM választás..." #~ msgid "Delete" #~ msgstr "Törlés" #~ msgid "You must make a selection!" #~ msgstr "Csinálnod kell egy kiválasztást!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES konverzió nem elérhető" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES formátum konverzió nem választható!" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Kimeneti fájl generálása GAMESS kvantum kémiai csomaghoz" #~ msgid "Advanced Settings Changed" #~ msgstr "A speciális beállítások megváltoztak" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "A speciális beállítások megváltoztak.\n" #~ "Biztos ne mentsük?" #~ msgid "Advanced Settings Reset" #~ msgstr "Speciális beállítások visszaállítása" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Biztos, hogy visszaállítod a speciális beállításokat?\n" #~ "Minden változtatás el fog veszni!" #~ msgid "Basic Settings Reset" #~ msgstr "Alapbeállítások visszaállítása az eredeti értékre." #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Biztos vagy benne hogy visszaállítod az alapértelmezett beállításokra az " #~ "alapbeállításokat?\n" #~ "Minden beállításod elveszik." #~ msgid "Gaussian Running." #~ msgstr "Gaussian fut." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "Gaussian fut. Várjon amíg az előző kalkuláció befejeződik." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian nincs installálva." #~ msgid "The G03 executable, cannot be found." #~ msgstr "A G03 futtatható nem található." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 nem indult el, talán nincs installálva megfelelően." #~ msgid "Running Gaussian calculation..." #~ msgstr "Gaussian kalkuláci fut." #~ msgid "G03 Crashed." #~ msgstr "A G03 összeomlott." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Gaussian nem fut megfelelően, talán nincs installálva megfelelően." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian" #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "Copy text \t &NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC-bevitel figyelmeztetés" #~ msgid "MOPAC Running." #~ msgstr "A MOPAC fut" #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "A MOPAC már fut. Várd meg amíg az előző számítás befejeződik." #~ msgid "MOPAC Not Installed." #~ msgstr "A MOPAC nincs telepítve." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "A MOPAC futtatható fájlt nem találom." #~ msgid "MOPAC failed to start." #~ msgstr "A MOPAC indítása nem sikerült." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "A MOPAC nem indult el. Lehet hogy nincs megfelelően telepítve." #~ msgid "Running MOPAC calculation..." #~ msgstr "MOPAC-számítás indítása..." #~ msgid "MOPAC Crashed." #~ msgstr "A MOPAC összeomlott." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "A MOPAC nem fut megfelelő módon. Lehet hogy nincs jól telepítve." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "NWChem beviteli panel generátor figyelmeztetés" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem beviteli panel generátor figyelmeztetés" #~ msgid "Select SMARTS..." #~ msgstr "SMARTS kijelölés..." #~ msgid "Add Named Selection..." #~ msgstr "Megnevezett kijelölés hozzáadása..." #~ msgid "SMARTS Selection" #~ msgstr "SMARTS kijelölés" #~ msgid "SMARTS pattern to select" #~ msgstr "Kijelölendő SMARTS-minta" #~ msgid "There is no current selection." #~ msgstr "Jelenleg nincs kijelölés." #~ msgid "Add Named Selection" #~ msgstr "Megnevezett kijelölés hozzáadása" #~ msgid "Name cannot be empty." #~ msgstr "A név nem lehet üres." #~ msgid "There is already a selection with this name." #~ msgstr "Van már kijelölés ezzel a névvel." #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Atomok, kötések, molekularészek kijelölése..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL árnyékolók..." #~ msgid "Open a vertex shader source file" #~ msgstr "Csúcs árnyékoló forrásfájl megnyitása" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Csúcs árnyékoló fájlok (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Molekularész árnyékoló forrásfájl megnyitása" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Molekularész árnyékoló fájlok (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Árnyékoló paraméterfájl megnyitása" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Árnyékoló paraméterfájlok (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL árnyékolók" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "OpenGL 2.0 GLSL árnyékolók betöltése és használata" #~ msgid "Transmittance (%)" #~ msgstr "Transzmittancia (%)" #~ msgid "Absorbance (%)" #~ msgstr "Abszorbancia (%)" #~ msgid "No intensities" #~ msgstr "Nincs intenzitás" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "A feltöltött molekula rezgési adatai nem tartalmaznak intenzitás " #~ "értékeket. Az intenzitásokat tetszőleges értékekre állítottam a " #~ "vizualizáció miatt." #~ msgid "X Axis" #~ msgstr "X tengely" #~ msgid "Y Axis" #~ msgstr "Y tengely" #~ msgid "&Infrared Spectra Settings" #~ msgstr "&Infravörös spektumok beállítása" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "&NMR spektumok beállítása" #~ msgid "No data" #~ msgstr "Nincs adat" #~ msgid "Dark" #~ msgstr "Sötét" #~ msgid "Publication" #~ msgstr "Publikálás" #~ msgid "Handdrawn" #~ msgstr "Kézzel rajzolt" #~ msgid "New Scheme" #~ msgstr "Új séma" #~ msgid "Confirm Scheme Removal" #~ msgstr "Séma eltávolításának megerősítése" #~ msgid "Really remove current scheme?" #~ msgstr "Tényleg eltávolítod a jelenlegi sémát?" #~ msgid "Change Scheme Name" #~ msgstr "Séma nevének megváltoztatása" #~ msgid "Enter new name for current scheme:" #~ msgstr "Adj meg egy új nevet a jelenlegi sémának." #~ msgid "Export Calculated Spectrum" #~ msgstr "Számított spektrum exportálása" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Tabulátorral elválasztott értékek (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Tabulátorral elválasztott értékek" #~ msgid "Comma Separated Values" #~ msgstr "Vesszővel elválasztott értékek (CSV)" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Ismeretlen kiterjesztés: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR adatok (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomole IR adatok (control)" #~ msgid "Data Format" #~ msgstr "Adatformátum" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Formátum:" #~ msgid "Load Spectral Data" #~ msgstr "Spektrumadatok betöltése" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics (PNG)" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "TIFF (Tagged Image File Format)" #~ msgid "Windows Bitmap" #~ msgstr "Windows bittérkép" #~ msgid "Portable Pixmap" #~ msgstr "hordozható pixeltérkép" #~ msgid "X11 Bitmap" #~ msgstr "X11 bittérkép" #~ msgid "X11 Pixmap" #~ msgstr "X11 pixeltérkép" #~ msgid "Save Spectra Image" #~ msgstr "Spektrumkép mentése" #~ msgid "&Advanced <<" #~ msgstr "&Haladó <<" #~ msgid "&Spectra..." #~ msgstr "&Spektrumok..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Kvantumkémiai számításokból származó spektrumadatok megjelenítése" #~ msgid "No vibrational displacements exist." #~ msgstr "Nincs vibrációs eltolódás" #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Vibrációs módok vizualizációja kvantumkémiai számításokból" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "%1 rezgések rendezése frekvencia szerint..." #~ msgid "Super Cell Builder..." #~ msgstr "Szupercella építő..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "A dokumentum jelenleg egy izolált molekulát tartalmaz. Létre kell hozni " #~ "egy egységcellát." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Krisztallográfiai szupercella építése és megjelenítése" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Semmi" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Elektronsűrűség" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Hiba - nem definiált típus" #~ msgid "Calculating VdW Cube" #~ msgstr "VdW kocka számítása folyamatban" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "MO %L1 számítása folyamatban" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "A GL widget nem megfelelően indult a video készítéséhez" #~ msgid "GL widget has no molecule" #~ msgstr "A GL widgetben nincs molekula" #~ msgid "Building video " #~ msgstr "Video létrehozása " #~ msgid "Could not run mencoder." #~ msgstr "Nem sikerült futtatni a mencoder-t." #~ msgid "Set Aspect Ratio" #~ msgstr "Oldalarányok beállítása" #~ msgid "Debug Information" #~ msgstr "Hibakeresési információk" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Méret megjelenítése: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Atomok: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: %1 index nem elérhető." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "'%1' fájltípus olvasása nem támogatott." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "'%1' fájltípus olvasása nem támogatott." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "%1 indexű molekula beolvasása '%2' fájlból nem sikerült." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "Molekula csere: %1 index nem elérhető" #~ msgid "File type '%1' is not supported for writing." #~ msgstr "'%1' fájltípus írása nem támogatott." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "'%1' fájl típusának írása nem támogatott." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Nem sikerült megnyitni '%1' fájlt olvasáshoz." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "%1 indexű molekula cseréje '%2' fájlban nem sikerült." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "%1 fájlt nem sikerült olvasásra megnyitni" #~ msgid "File %1 can not be opened for writing." #~ msgstr "Nem lehet megnyitni %1 fájlt íráshoz." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Molekulafájl mentése sikertelen - nem lehet átnevezni az eredeti fájlt." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "Molekulafájl mentése sikertelen - nem lehet átnevezni az új fájlt." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Molekulafájl mentése sikertelen - nem lehet törölni az eredeti fájlt." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Molekula írása '%1' fájlba nem sikerült. OpenBabel függvény nem működik" #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Nem sikerült megnyitni %1 fájlt olvasáshoz." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Nem sikerült a konformereket '%1' fájlba menteni." #~ msgid "Molecule %1" #~ msgstr "Molekula %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Ismeretlen Python motor" #~ msgid "PythonEngine: checking " #~ msgstr "Python motor: ellenőrzés " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - parancsfájlban nincs meghatásűrozva 'Engine' osztály" #~ msgid " - no module" #~ msgstr " - nincs modul" #~ msgid "Unknown Python Extension" #~ msgstr "Ismeretlen Python bővítmény" #~ msgid "PythonExtension: checking " #~ msgstr "Python bővítmény ellenőrzése " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - parancsfájlban nincs definiálva 'bővítmény' osztály" #~ msgid "Unknown Python Tool" #~ msgstr "Ismeretlne Python eszköz" #~ msgid "PythonTool: checking " #~ msgstr "Python eszköz: ellenőrzés " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - parancsfájlban nincs definiálva 'eszköz' osztály" #~ msgid "Tools" #~ msgstr "Eszközök" #~ msgid "Align:" #~ msgstr "Igazítás:" #~ msgid "Everything" #~ msgstr "Minden" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Nem sikerült beállítani erőteret..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Steps per Update:" #~ msgstr "Frissítésenkénti lépések:" #~ msgid "Algorithm:" #~ msgstr "Algoritmus:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Mulekuladinamika (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Mulekuladinamika (900K)" #~ msgid "Start" #~ msgstr "Indítás" #~ msgid "Fixed atoms are movable" #~ msgstr "Fix atomok mozgathatók" #~ msgid "Ignored atoms are movable" #~ msgstr "Kihagyott atomok mozgathatók" #~ msgid "AutoOpt Molecule" #~ msgstr "AutoOpt molekula" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Molekulageometria Automatikus optimalizálása" #~ msgid "AutoOptimization Settings" #~ msgstr "AutoOptimalizálás beállításai" #~ msgid "Auto Rotation Tool" #~ msgstr "Automatikus forgatás eszköz" #~ msgid "x rotation:" #~ msgstr "x forgatás:" #~ msgid "x rotation" #~ msgstr "x forgatás" #~ msgid "y rotation:" #~ msgstr "y forgatás:" #~ msgid "y rotation" #~ msgstr "y forgatás" #~ msgid "z rotation:" #~ msgstr "z forgatás:" #~ msgid "z rotation" #~ msgstr "z forgatás" #~ msgid "Automatic rotation of molecules" #~ msgstr "Molekulák automatikus forgatása" #~ msgid "AutoRotate Settings" #~ msgstr "AutoForgatás beállításai" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Kötéshossz: %L1" #~ msgid " Show Angles" #~ msgstr " Szögek megjelenítése" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Diéderes szög: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Távolság:" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Kötéshosszak, szögek, és diéderek mérése" #~ msgid "Draw Bond" #~ msgstr "Kötés rajzolása" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Atomok és kötések rajzolása és szerkesztése" #~ msgid "Selection Mode:" #~ msgstr "Kijelölés módja" #~ msgid "Atom/Bond" #~ msgstr "Atom/Kötés" #~ msgid "Residue" #~ msgstr "Molekularész" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Atomol, molekularészek és molekulák kijelölése" #~ msgid "Symbol" #~ msgstr "Szimbólum" #~ msgid "Bond Length" #~ msgstr "Kötéshossz" #~ msgid "Dihedral Angle" #~ msgstr "Diéderes szög" #~ msgid "Z Matrix Editor..." #~ msgstr "Z-mátrix szerkesztő..." #~ msgid "Z-Matrix" #~ msgstr "Z-mátrix" #~ msgid "Create/edit a z-matrix" #~ msgstr "Z-mátrix létrehozása/szerkesztése" #~ msgid "Z-Matrix Settings" #~ msgstr "Z-mátrix beállításai" #~ msgid "Color residues by:" #~ msgstr "Molekularészek színezése:" #~ msgid "Hydrophobicity" #~ msgstr "Hidrofobicitás" #~ msgid "Atom Radius:" #~ msgstr "Atomsugár:" #~ msgid "Bond Radius:" #~ msgstr "Kötés sugara:" #~ msgid "Shape" #~ msgstr "Alak" #~ msgid "a" #~ msgstr "a" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Hurok" #~ msgid "Dipole:" #~ msgstr "Dipólus" #~ msgid "Width:" #~ msgstr "Szélesség" #~ msgid "Cut-off radius:" #~ msgstr "Levágási sugár" #~ msgid "Cut-off angle:" #~ msgstr "Levágási szög:" #~ msgid "Symbol & Atom number" #~ msgstr "Szimbólum és atomszám" #~ msgid "Partial charge" #~ msgstr "Parciális töltés" #~ msgid "Residue number" #~ msgstr "Molekularész szám" #~ msgid "Custom data" #~ msgstr "Egyéni adatok" #~ msgid "Bond length" #~ msgstr "Kötéshossz" #~ msgid "Bond number" #~ msgstr "Kötésszám" #~ msgid "Bond order" #~ msgstr "Kötésrend:" #~ msgid "Radius:" #~ msgstr "Sugár:" #~ msgid "Include Nitrogens" #~ msgstr "Nitrogének használata" #~ msgid "VdW Opacity:" #~ msgstr "VdW opacitás:" #~ msgid "Orbital:" #~ msgstr "Pálya:" #~ msgid "Render:" #~ msgstr "Képalkotás:" #~ msgid "Fill" #~ msgstr "Kitöltés" #~ msgid "Points" #~ msgstr "Pontok" #~ msgid "Draw Box:" #~ msgstr "Rajzoló doboz" #~ msgid "Positive" #~ msgstr "Pozitív" #~ msgid "Negative" #~ msgstr "Negatív" #~ msgid "Show Atoms" #~ msgstr "Atomok megjelenítése" #~ msgid "Animate Trajectory" #~ msgstr "Röppálya animálása" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Ciklus" #~ msgid "Save as .avi..." #~ msgstr "Mentési formátum: .avi..." #~ msgid "Paste to the End" #~ msgstr "Beillesztés a végére" #~ msgid "Number of atoms:" #~ msgstr "Atomok száma:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Forgó kötések száma" #~ msgid "Ignore Atom" #~ msgstr "Atom elrejtése" #~ msgid "Fix Atom" #~ msgstr "Fix Atom" #~ msgid "Fix Atom X" #~ msgstr "Fix Atom X" #~ msgid "Fix Atom Y" #~ msgstr "Fix Atom Y" #~ msgid "Fix Atom Z" #~ msgstr "Fix Atom Z" #~ msgid "Torsion angle" #~ msgstr "Torziós szög" #~ msgid "Add" #~ msgstr "Hozzáadás" #~ msgid "Save" #~ msgstr "Mentés" #~ msgid "Load" #~ msgstr "Betöltés" #~ msgid "Cartesian" #~ msgstr "Descartes-féle" #~ msgid "All" #~ msgstr "Mind" #~ msgid "File Import..." #~ msgstr "Fájl importálása..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Próbáljak kötést érzékelni?" #~ msgid "Setup Force Field" #~ msgstr "Erőtér beállítása" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Lépések száma" #~ msgid "Algorithm" #~ msgstr "Algoritmus" #~ msgid "10e-" #~ msgstr "10e-" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Arginin" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Aszparagin" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "Aszparaginsav" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Cisztein" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "Glutaminsav" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Glutamin" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Glicin" #~ msgid "Gly" #~ msgstr "Gly" #~ msgid "Histidine" #~ msgstr "Hisztidin" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "Izoleucin" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyr" #~ msgstr "Tyr" #~ msgid "Tryptophan" #~ msgstr "Triptofán" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "Treonin" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "Szerin" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Prolin" #~ msgid "Phenylalanine" #~ msgstr "Fenilalanin" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "Metionin" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Lizin" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "Leucin" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Stereochemistry:" #~ msgstr "Sztereokémia:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Straight Chain" #~ msgstr "Egyenes lánc" #~ msgid "Alpha Helix" #~ msgstr "Alfa hélix" #~ msgid "Beta Sheet" #~ msgstr "Béta redő" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "Chain Number:" #~ msgstr "Láncszám:" #~ msgid "The chain number for the new peptide" #~ msgstr "Az új peptid lánc-száma" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Molekularészek száma:" #~ msgid "Dipole Moment (D):" #~ msgstr "Dipólusmomentum (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Haladó" #~ msgid "Control" #~ msgstr "Kontroll" #~ msgid "Grid" #~ msgstr "Rács" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray Exportálás" #~ msgid "Select..." #~ msgstr "Kijelölés…" #~ msgid "povray" #~ msgstr "povray" #~ msgid "Antialias" #~ msgstr "Antialias" #~ msgid "Set the background color to be transparent" #~ msgstr "Háttérszín áttetszőre állítása" #~ msgid "Alpha transparency" #~ msgstr "Alpha-áttetszőség" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "" #~ "Molekula megjelenítése közvetlenül a parancssori POV-Ray használatával" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "POV-Ray forrás megtartása megjelenítés befejezése után" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "POV-Ray forrás megtartása megjelenítés után" #~ msgid "Path:" #~ msgstr "Útvonal:" #~ msgid "Compute..." #~ msgstr "Számítás..." #~ msgid "HF" #~ msgstr "HF" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EFP Matches" #~ msgstr "EFP egyezések" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Haladó beállítások" #~ msgid "Hessian" #~ msgstr "Hess-i" #~ msgid "Stat Point" #~ msgstr "Stat pont" #~ msgid "System" #~ msgstr "Rendszer" #~ msgid "MO Guess" #~ msgstr "MO becslés" #~ msgid "Misc" #~ msgstr "Egyéb" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D nehézatom polarizációs függvény:" #~ msgid "Read" #~ msgstr "Olvasás" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Dupla zéta vegyérték" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Tripla zéta vegyérték" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA vegyérték" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt vegyérték" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP típus:" #~ msgid "Default" #~ msgstr "Alapbeállítás" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F nehézatom polarizációs függvény" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#könnyű atom polarizációs függvény" #~ msgid "Polar:" #~ msgstr "Poláris:" #~ msgid "Max SCF Iterations:" #~ msgstr "maximális SCF iterációk:" #~ msgid "Gradient" #~ msgstr "Grádiens" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "Nyeregpont" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Spin Orbit" #~ msgstr "Spin orbitál" #~ msgid "Finite Electric Field" #~ msgstr "Véges elektromos mező" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Globális optimalizálás" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO optimalizálás" #~ msgid "Raman Intensities" #~ msgstr "Raman intenzitás" #~ msgid "Make EFP" #~ msgstr "EFP készítés" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Nincs (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF típus:" #~ msgid "Localization Method:" #~ msgstr "Lokalizációs módszer" #~ msgid "Exec Type:" #~ msgstr "Exec típus:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. determináns" #~ msgid "CI Singles" #~ msgstr "CI egyszeres" #~ msgid "Full Second Order CI" #~ msgstr "Teljes másodrendű CI" #~ msgid "General CI" #~ msgstr "Általános CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Linearizált CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC duplákkal" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC szimplákkal és duplákkal" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Normális futtatás" #~ msgid "Check" #~ msgstr "Ellenőrzés" #~ msgid "Debug" #~ msgstr "Hibakeresés" #~ msgid "Run Type:" #~ msgstr "Futtatás típusa" #~ msgid "Use MP2" #~ msgstr "MP2 használata" #~ msgid "# of Z-Matrix Variables" #~ msgstr "Z-Matrix változók száma" #~ msgid "Order of Principal Axis:" #~ msgstr "Főtengely rendje" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Egyedi Descartes-koordináták" #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrant internálok" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Szimmetria használata számítás során" #~ msgid "Point Group:" #~ msgstr "Pont csoport" #~ msgid "Minutes" #~ msgstr "Perc" #~ msgid "Hours" #~ msgstr "Óra" #~ msgid "Days" #~ msgstr "Nap" #~ msgid "Weeks" #~ msgstr "Hét" #~ msgid "Years" #~ msgstr "Év" #~ msgid "Millenia" #~ msgstr "Évezred" #~ msgid "MegaWords" #~ msgstr "MegaWord" #~ msgid "MegaBytes" #~ msgstr "MegaBájt" #~ msgid "GigaWords" #~ msgstr "GigaWord" #~ msgid "GigaBytes" #~ msgstr "GigaBájt" #~ msgid "Force Parallel Methods" #~ msgstr "Párhuzamos módszerek használata" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "\"core\" fájl létrehozása megszakításkor" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memória:" #~ msgid "Diagonalization Method:" #~ msgstr "Hibakereső módszer" #~ msgid "Parallel Load Balance Type" #~ msgstr "Párhuzamos töltési egyensúly típus" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Ciklus" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Következő érték" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Külső adatmegjelenítés használata üzenetekhez" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO beolvasva ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO elmentve (DICTNRY)" #~ msgid "Skip" #~ msgstr "Kihagyás" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Alfa és béta pályák forgatása" #~ msgid "Print the Initial Guess" #~ msgstr "Kezdeti becslés kiírása" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK verzió)" #~ msgid "Direct SCF" #~ msgstr "Direkt SCF" #~ msgid "Slater exchange" #~ msgstr "Slater csere" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 csere" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair (VWN5) korreláció" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr korreláció" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater csere + VWN korreláció" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE csere + VWN5 korreláció" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE csere + LYP korreláció" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill 1996 csere" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof (PBE) csere" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: egy-paraméteres progresszív korreláció" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr (LYP) korreláció" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP korreláció" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE csere + OP korreláció" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL csere + VWN5 korreláció" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL csere + LYP korreláció" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE csere + VWN6 korreláció" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE csere +LYP korreláció" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE csere + OP korreláció" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF és BECKE csere + LYP korreláció" #~ msgid "words" #~ msgstr "szavak" #~ msgid "Compute MP2 Properties" #~ msgstr "MP2 tulajdonságok számítása" #~ msgid "Use Localized Orbitals" #~ msgstr "lokalizált orbitálok használata" #~ msgid "# of Core Electrons:" #~ msgstr "magelektronok száma" #~ msgid "Segmented Transformation" #~ msgstr "szegmentált átalakítás" #~ msgid "Numeric" #~ msgstr "Numerikus" #~ msgid "Print Internal Force Constants" #~ msgstr "Belső erőkonstansok megjelenítése" #~ msgid "Displacement Size:" #~ msgstr "Eltolódás mérete" #~ msgid "Read (from $HESS)" #~ msgstr "Olvas ($HESS - ből)" #~ msgid "Update Step Size" #~ msgstr "Lépésméret frissítése" #~ msgid "Jump Size:" #~ msgstr "Ugrás nagysága" #~ msgid "Stationary Point" #~ msgstr "Álló pont" #~ msgid "Initial:" #~ msgstr "Kezdeti:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Racionális függvény optimalizálás" #~ msgid "Quadratic Approximation" #~ msgstr "Kvadratikus megközelítés" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (kvázi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Szűkített optimalizálás" #~ msgid "Follow Mode:" #~ msgstr "Követési mód:" #~ msgid "Z-matrix" #~ msgstr "Z-mátrix" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Szabványos" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Ellenőrzőpont:" #~ msgid "MOLPRO Input" #~ msgstr "MOLPRO bevitel" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Quartet" #~ msgstr "Kvartett" #~ msgid "Quintet" #~ msgstr "Kvintett" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem bevitel" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Load Shaders" #~ msgstr "Árnyékolók betöltése" #~ msgid "Shader Name:" #~ msgstr "Árnyékoló neve:" #~ msgid "Vertex Shader:" #~ msgstr "Csúcs árnyékoló:" #~ msgid "Display Type:" #~ msgstr "Meglenítés típusa:" #~ msgid "Font:" #~ msgstr "Betűtípus:" #~ msgid "Change Font..." #~ msgstr "A betűtípus megváltoztatása..." #~ msgid "New..." #~ msgstr "Új..." #~ msgid "Rename..." #~ msgstr "Átnevezés..." #~ msgid "&Schemes:" #~ msgstr "&Sémák:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Szélesség:" #~ msgid "&Height" #~ msgstr "&Magasság" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "&Betűméret automatikus beállítása" #~ msgid "&Gaussian Width:" #~ msgstr "Gauss-&szélesség:" #~ msgid "&Label peaks" #~ msgstr "&Csúcsok cimkézése" #~ msgid "&Y Axis Units:" #~ msgstr "&Y tengely egysége:" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Gaussian &Width:" #~ msgstr "Gauss-&szélesség:" #~ msgid "Label Peaks:" #~ msgstr "Csúcsok cimkézése:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Molekularezgés:" #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "magasabb frekvenciájó rezgések esetéb gyorsabb mozgást mutat" #~ msgid "Animation speed set by frequency" #~ msgstr "Animáció sebességét a frekvencia állítja be" #~ msgid "Display force &vectors" #~ msgstr "Erő és vektorok megjelenítése" #~ msgid "Surface Type:" #~ msgstr "Felszín típusa:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Alacsony" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Közepes" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Magas" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Nagyon magas" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Ebben a megjelenítés típusban:" #~ msgid "New Display" #~ msgstr "Új megjelenítés" #~ msgid "Advanced..." #~ msgstr "Haladó..." #~ msgid "Python Settings" #~ msgstr "Python beállítások" #~ msgid "Z Matrix Editor" #~ msgstr "Z mátrix szerkesztő" avogadrolibs-1.100.0/i18n/id.po000066400000000000000000012114601474375334400160630ustar00rootroot00000000000000# Indonesian translation for avogadro # Copyright (c) 2009 Rosetta Contributors and Canonical Ltd 2009 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2009. # Andika Tulus Pangestu , 2020. # Ferdinand Tampubolon , 2021. # Reza Almanda , 2021, 2024. # RIDHO NURUL ADILLA , 2021. # Jacque Fresco , 2021. # fikril Ha , 2021. # Eisuke Kawashima , 2024, 2025. # "C.Y.A.N" , 2024. # Syifa Tadjoedin <31january2003@gmail.com>, 2024. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-16 14:01+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Indonesian \n" "Language: id\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=1; plural=0;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Pekerjaan Batch number #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Tidak ada pesan spesifik." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "script --Opsi keluaran print harus di objek JSON pada level atas. " "Diterima :\n" "%1" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "Peringatan Non-string kembali." #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "'peringatan' member bukanlah array." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "file referensi '%1' tidak ada." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "Galat saat mengisi file %1: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "File '%1' tidak terbentuk dengan baik. Tidak ada anggota string 'content' " "atau 'filePath'." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Entri file yang cacat: nama file /konten hilang atau tidak string:\n" "%1" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Entri file yang cacat pada indeks %1: Bukan objek." #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "anggota 'dokumen' bukanlah satu formasi." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "anggota 'dokumen' menghilang." #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "Anggota 'mainFile' tidak merujuk pada entri di 'files'." #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "'mainFile' member harus sebuah string." #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "Respon harus sebuah objek JSON pada top-level." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Keluaran script:\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Error parsing pada offset %L1: '%2' \n" "JSON Raw:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Error saat menyimpan representasi molekul ke string: Format file yang tidak " "dikenali: %1" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Error saat menyimpan representasi molekul ke string: %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Gagal menghasilkan benda cjson: gagal mengurai di ofset %1: %2\n" "JSON Baku:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Gagal pembuatan objek cjson: JSON yang diuraikan bukan sebuah objek:\n" "%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "Masukan Pembuat (galat)" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "%1 Masukan Pembuat" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Lanjutkan" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Tutup" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Tidak dikenal" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "File(-file) berikut telah dimodifikasi:\n" "\n" "%1\n" "\n" "Apakah Anda ingin menulis perubahan Anda untuk mencerminkan geometri atau " "pilihan pekerjaan baru?" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Timpa file masukan yang telah diubah?" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "Masalah terjadi selama pembuatan masukan:" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "Tidak ada file masukan untuk disimpan!" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "Tidak dapat terhubung ke MoleQueue" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Tidak dapat terhubung ke server MoleQueue. Pastikan ia berjalan dan coba " "lagi." #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "Submit %1 Kalkulasi" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "Pekerjaan gagal" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "Pekerjaan tidak berhasil diselesaikan." #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "Script mengembalikan peringatan:\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "Sembunyikan &Peringatan" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "Tampilkan &Peringatan" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "Sebuah galat telah terjadi:" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "Pilih nama keluaran berkas" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" "Galat internal: tidak dapat menemukan widget teks untuk nama berkas'%1'" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Galat Keluaran" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Gagal untuk menulis ke file %1." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Pilih Output directory" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Directory tidak ada!" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Directory tidak dapat dibaca!" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: File akan di overwritten." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: File tidak dapat dituliskan." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "File pemasukan tidak bisa dituliskan karena kegagalan tidak diketahui." #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "File pemasukan tidak bisa ditulis: \n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "File pemasukan tidak bisa ditulis: \n" "\n" "%1\n" "\n" "Peringatan:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Peringatan: \n" "\n" "%1\n" "\n" "Apakah Anda ingin melanjutkan?" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Tulis file pemasukan" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "Konfigurasi Pekerjaan" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Mengirimkan pekerjaan ke MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Batas Waktu Pengiriman Pekerjaan" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro kebatasan waktu selagi menunggu balasan dari MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Menunggui untuk pekerjaan %1 “%2\" menyelesai…" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "Berhenti menunggu" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "Mengambil informasi pekerjaan selesai…" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "Batas Waktu Pengambilan Pekerjaan" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro kebatasan waktu selagi menunggu rincian pekerjaan selesai dari " "MoleQueue." #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "Gagal Mengirimkan Pekerjaan" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "Pekerjaan telah ditolak MoleQueue: %1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Tidak ada program yang dipilih." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "Silahkan pilih target program dari catatan \"Queue and Program\"." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Klien gagal mengirimkan pekerjaan ke MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Kesalahan internal." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Tidak dapat menyelesaikan pemilihan program. Ini adalah bug." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Tidak ada molekul yang diatur dalam Format File Latar Belakang!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Tidak ada Io::FileFormat Di set dalam file format Latarbelakang!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Tidak ada nama file di setel dalam file format latarbelakang!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "Berpisah Horizontal" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "Berpisah Vertikal" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Hidrogen" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Litium" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Berilium" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Boron" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Karbon" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Nitrogen" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Oksigen" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Natrium" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnesium" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Alumunium" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silikon" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Belerang" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Klor" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Kalium" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Kalsium" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Skandium" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titanium" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadium" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Krom" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Besi" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nikel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Tembaga" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Seng" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Galium" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsen" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selenium" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Kripton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Stronsium" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Itrium" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirkonium" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niobium" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molibdenum" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Teknesium" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Rutenium" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rodium" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Paladium" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Perak" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Kadmium" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Timah" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Telurium" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Yodium" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Sesium" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantanum" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Serium" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodimium" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodimium" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Prometium" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Disprosium" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Tulium" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Iterbium" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantalum" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Wolfram" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Renium" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platina" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Emas" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Raksa" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Talium" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Timbal" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bismut" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astatin" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Fransium" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Aktinium" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Torium" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protaktinium" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uranium" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Amerisium" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Kurium" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Kalifornium" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Lawrensium" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Roentgenium" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Kopernisium" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moskovium" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tenesin" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganeson" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "Pilih file:" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "Pilih executable:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Semua Berkas" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Galat saat menulis representasi molekul ke string: %1" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Judul" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 #, fuzzy msgid "Theory" msgstr "Teori" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Basis" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Bola dan Batang" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Kartun" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Momen Duakutub:" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Gaya" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Label" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 #, fuzzy #| msgid "QTAIM" msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Wireframe" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "Tanpa judul" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Tabel Periodik" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Tambah Atom" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Hapus Atom" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Atur Hidrogen" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Merubah Unsur" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Merubah Unsur" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Tambah Ikatan" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 #, fuzzy msgid "Clear Bonds" msgstr "Hapus Ikatan" #: qtgui/rwmolecule.cpp:335 #, fuzzy msgid "Set Bond Orders" msgstr "Orde Ikatan" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Merubah Orde Ikatan" #: qtgui/rwmolecule.cpp:369 #, fuzzy msgid "Update Bonds" msgstr "Kancingkan ke Ikatan" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 #, fuzzy msgid "Remove Unit Cell" msgstr "Hapus Unit Sel" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 #, fuzzy msgid "Wrap Atoms to Cell" msgstr "Lipat atom-atom kedalam Sel" #: qtgui/rwmolecule.cpp:522 #, fuzzy msgid "Scale Cell Volume" msgstr "Satuan Skala Volume Sel" #: qtgui/rwmolecule.cpp:542 #, fuzzy msgid "Build Super Cell" msgstr "Super Sel" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "Putar Orientasi Standar" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 #, fuzzy msgid "Reduce to Primitive" msgstr "Sederhanakan ke Sel Primitif" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Isi Unit Sel" #: qtgui/rwmolecule.cpp:702 #, fuzzy msgid "Reduce Cell to Asymmetric Unit" msgstr "Kurangi Ukuran Asimetrik" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 #, fuzzy #| msgid "&Settings" msgid "Settings" msgstr "Pengaturan" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Berkas" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "&Ekspor" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "Mem&bangun" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Unsur:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Pelurusan" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Sumbu:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 #, fuzzy #| msgid "selected atom to origin" msgid "Center the atom at the origin." msgstr "atom pilihan ke pusat" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Pelurusan molekul menurut sumbu Kartesian" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 #, fuzzy msgid "Open Output File…" msgstr "Buka berkas" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, fuzzy msgid "IO Error" msgstr "Kesalahan" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Kesalahan" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "Sukses!" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "Warna Atur Sendiri" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "Unsur" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy #| msgid "Partial charge" msgid "By Partial Charge…" msgstr "Muatan parsial" #: qtplugins/applycolors/applycolors.cpp:82 #, fuzzy msgid "By Secondary Structure" msgstr "struktur sekunder" #: qtplugins/applycolors/applycolors.cpp:87 #, fuzzy msgid "By Amino Acid" msgstr "Asam Amino:" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 #, fuzzy #| msgid "Spectra" msgctxt "colormap" msgid "Spectral" msgstr "Spektra" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Tampilkan" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 #, fuzzy msgid "Color Residues" msgstr "Warna berdasarkan Residu" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 #, fuzzy msgid "ApplyColors" msgstr "pilih warna" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Tampilkan Ikatan Berganda" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Manipulasi Ikatan Sentrik" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Manipulasi Ikatan Sentrik" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "Melihat ikatan" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 #, fuzzy #| msgid "Fix Selected Atoms" msgid "Bond Selected Atoms" msgstr "Menetapkan Pilihan Atom" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "Ikatan" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 #, fuzzy msgid "Perceive bond orders." msgstr "Melihat ikatan." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Tulangpunggung" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Pita" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Kartun" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Kartun" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Tambahkan Pusat Massa" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 #, fuzzy #| msgid "Maximum Radius:" msgid "Maximum distance:" msgstr "Radius Maksimum:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 #, fuzzy #| msgid "Renders force displacements on atoms" msgid "Render close contacts between atoms." msgstr "Menggambarkan gaya pemindahan pada atom" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Ekstensi" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #, fuzzy msgid "Scripts" msgstr "Skrip" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 #, fuzzy #| msgid "Other" msgid "Other…" msgstr "Lainnya" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "Penyunting Koordinat" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "Penyunting Koordinat" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Nama Unsur" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 #, fuzzy msgid "Invalid element symbol." msgstr "Simbol unsur" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Simbol unsur" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Indeks Atom." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Nomor atom" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 #, fuzzy msgid "X coordinate." msgstr "Koordinat X." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 #, fuzzy msgid "Y coordinate." msgstr "Koordinat Y." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 #, fuzzy msgid "Z coordinate." msgstr "Koordinat Z." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Suaian" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Masukan Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "Salin" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "Senyum" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "InChI" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "Potong" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "Hapus" #: qtplugins/copypaste/copypaste.cpp:35 #, fuzzy #| msgid "Paste" msgid "&Paste" msgstr "Tempelkan" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "&Dirubah" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energi" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 #, fuzzy msgid "Molecular Dynamics" msgstr "Dinamika Molekuler" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 #, fuzzy msgid "Geometry Optimization" msgstr "Optimisasi Geometri" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 #, fuzzy msgid "Molecular Mechanics" msgstr "Mekanika Molekuler" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 #, fuzzy msgid "Conjugate Gradients" msgstr "Cara Conjugate Gradients" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 #, fuzzy msgid "Steepest descent" msgstr "Cara Steepest Descent" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy msgid "Import Crystal from Clipboard…" msgstr "Impor Kristal dari Clipboard..." #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy msgid "Edit Unit Cell…" msgstr "Tambahkan Unit Sel" #: qtplugins/crystal/crystal.cpp:57 #, fuzzy msgid "&Wrap Atoms to Unit Cell" msgstr "Lipat atom-atom kedalam Sel" #: qtplugins/crystal/crystal.cpp:63 #, fuzzy msgid "Rotate to Standard &Orientation" msgstr "Putar &Orientasi Standar" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy msgid "Scale Cell &Volume…" msgstr "Skalakan Sel ke &Volume…" #: qtplugins/crystal/crystal.cpp:74 #, fuzzy msgid "Build &Supercell…" msgstr "&Super Sel" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Sederhanakan Sel (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "&Crystal" msgstr "Kristal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Hapus &Unit Sel" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Tambahkan &Unit Sel" #: qtplugins/crystal/crystal.cpp:168 #, fuzzy msgid "Import Crystal from Clipboard" msgstr "Impor Kristal dari Clipboard..." #: qtplugins/crystal/crystal.cpp:175 #, fuzzy #| msgid "&Keep atoms in unit cell" msgid "Wrap atoms into the unit cell." msgstr "Pertahankan atom-atom dalam satuan sel." #: qtplugins/crystal/crystal.cpp:177 #, fuzzy #| msgid "Rotate to Standard Orientation" msgid "Rotate the unit cell to the standard orientation." msgstr "Putar Orientasi Standar" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 #, fuzzy msgid "The unit cell is already reduced." msgstr "Unit sel telah direduksi." #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "Kristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Tidak Bisa Mengurai Teks" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Menggambar" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Menggambar Atom" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Jarak" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Tunggal" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Dua" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Tiga Kali" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "&Impor" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Mengambil dari PDB..." #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, fuzzy, qt-format #| msgid "Cannot read molecular file %1." msgid "Could not read the PDB molecule: %1" msgstr "Tidak dapat membaca berkas molekul %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Muat turun struktur kimia" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Muaturun Jaringan Gagal" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Bataswaktu jaringan atau kesalahan lain." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Molekul yang dikehendaki tidak ditemukan: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Mengambil dari PDB..." #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 #, fuzzy msgid "Optimize Geometry" msgstr "Optimisasi Geometri" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Pengaturan Bidang Gaya..." #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy #| msgid "Import Selected Atoms" msgid "Freeze Selected Atoms" msgstr "Impor Atom Terpilih" #: qtplugins/forcefield/forcefield.cpp:115 #, fuzzy #| msgid "Fix Selected Atoms" msgid "Unfreeze Selected Atoms" msgstr "Menetapkan Pilihan Atom" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "Menghitung" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Energi = %L1 %2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield optimization" msgstr "Optimisasi Bidang Gaya" #: qtplugins/forcefield/forcefield.h:50 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" msgstr "Optimisasi Bidang Gaya" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "&GAMESS" msgid "&GAMESS…" msgstr "&GAMESS" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Masukan GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "Energi Satu Titik" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Kesetimbangan Geometri" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Keadaan Transisi" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Frekuensi" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Inti Potensial" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Air" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Kembar" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Kembar tiga" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Dication" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Cation" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Netral" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "&Atur Hidrogen" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Tambah Hidrogen" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Hapus Hidrogen" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "&Hidrogen" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrogen" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 #, fuzzy #| msgid "DNA/RNA..." msgid "DNA/RNA…" msgstr "DNA/RNA" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "S&isipan" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy #| msgid "Insert DNA/RNA" msgid "Insert DNA/RNA…" msgstr "Masukkan DNA/RNA" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "Uracil" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "Thymine" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy #| msgid "Insert DNA" msgid "InsertDNA" msgstr "Masukkan DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "Molekul…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Kristal…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "Impor Kristal" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Sisipkan Fragmen" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Sisipkan Fragmen" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Sisipkan fragmen molekul untuk membuat molekul yang lebih besar" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "Warna:" #: qtplugins/label/label.cpp:170 #, fuzzy msgid "Distance from center:" msgstr "Jarak dari pusat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Kosong" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 #, fuzzy msgid "Index" msgstr "urutan langkah" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "ID khusus" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Unsur" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 #, fuzzy msgid "Atom Label:" msgstr "Label Atom" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 #, fuzzy msgid "Residue Label:" msgstr "Nama residu" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 #, fuzzy #| msgid "Bond Labels" msgid "Edit Labels" msgstr "Label Ikatan" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Apakah anda akan memperbarui teks pratampilan, semua perubahan pada masukan " "progam Gaussian di jendela pratampilan akan terhapus?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Opasitas:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 #, fuzzy #| msgid "SMILES" msgid "SMILES…" msgstr "Senyum" #: qtplugins/lineformatinput/lineformatinput.cpp:37 #, fuzzy #| msgid "InChI" msgid "InChI…" msgstr "InChI" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 #, fuzzy msgid "No descriptors found!" msgstr "Tidak ada penjelasan" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipulasi" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Pengukuran" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Dihedral:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Sudut:" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "Sudut:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(ditunda)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy #| msgid "Molecular Graph…" msgid "&Molecular…" msgstr "&Molekuler…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 #, fuzzy msgid "&Analysis" msgstr "&Analitik" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Properti" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Properti Molekul" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Properti Molekul" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 #, fuzzy #| msgid "&Export" msgid "Export CSV" msgstr "Ekspor CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 #, fuzzy #| msgid "WFN files (*.wfn);;All files (*.*)" msgid "CSV Files (*.csv);;All Files (*)" msgstr "Berkas CSV (*.csv);;Semua berkas (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 #, fuzzy #| msgid "Could not open file '%1' for writing." msgid "Could not open the file for writing." msgstr "Tidak bisa membuka berkas '%1' untuk ditulis." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy #| msgid "&Export" msgid "Export…" msgstr "Ekspor" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigasi" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 #, fuzzy #| msgid "&Translate Atoms..." msgid "Translate the scene." msgstr "Geser Atom-atom" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Alat Navigasi" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Nama Kimia" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 #, fuzzy #| msgid "Tolerance:" msgid "Angle tolerance:" msgstr "Toleransi:" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 #, fuzzy msgid "Configure Force Field…" msgstr "Pengaturan Bidang Gaya..." #: qtplugins/openbabel/openbabel.cpp:59 #, fuzzy #| msgid "Conformer Search" msgid "Conformer Search…" msgstr "Pencarian Conformer…" #: qtplugins/openbabel/openbabel.cpp:65 #, fuzzy msgid "Perceive Bonds" msgstr "Melihat ikatan?" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Tambah Hidrogen untuk pH" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "Hapus Hidrogen" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Optimisasi Geometri (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 #, fuzzy #| msgid "Generation Temp:" msgid "Generating…" msgstr "Generasi" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Berkas trayektori %1 mempunyai jumlah atom yang tidak sesuai dengan molekul " "yang ada" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Tambah Hidrogen" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "Tambah Hidrogen untuk pH" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Hapus Hidrogen (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Apakah anda akan memperbarui teks pratampilan, semua perubahan pada masukan " "progam OpenMM di jendela pratampilan akan terhapus?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "Benar" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "Mulai" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Berhenti" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "Frame rate:" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "Frame:" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " dari %0" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "Ikatan Dinamik?" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "Rekam Film…" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "Film (*.mp4)" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "Ekspor gambar Bitmap" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Film (*.mp4);; Film (*.avi);; GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "Peringatan dukungan GIF FPS" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "Format file GIF tidak mendukung frame rate lebih dari 100 FPS." #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "Film (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "Galat: tidak dapat menambahkan frame ke video." #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "Tidak bisa menyimpan berkas %1." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "Pesan error: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 #, fuzzy #| msgid "Theoretical XRD Pattern Options" msgid "Plot Theoretical XRD Pattern…" msgstr "Opsi Pola XRD Teoritis" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "Versi" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "Deskripsi" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Mengunduh %1 ke %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Mengekstrak %1 ke %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "Selesai %1 file\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "Ekstraksi berhasil\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "Error saat mengekstraksi: %1" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "Unduh Plugin…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Unduh Plugin" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Unduh plugin dari repositori GitHub." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "Simpan Berkas" #: qtplugins/ply/ply.cpp:71 #, fuzzy #| msgid "POV-Ray (*.pov);;Text file (*.txt)" msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);; Berkas teks (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 #, fuzzy #| msgid "Render the scene using POV-Ray." msgid "Render the scene using PLY." msgstr "Render adegan menggunakan PLY." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "Render POV-Ray…" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);; Berkas teks (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Render adegan menggunakan POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Valensi" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 #, fuzzy #| msgid "X (Å)" msgid "Z (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "Warna" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Tipe" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "Awal Atom" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "Akhir Atom" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "Orde Ikatan" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Panjang (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 #, fuzzy msgid "Secondary Structure" msgstr "Struktur" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "Heterogen" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "Atom 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Verteks" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "Atom 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "Sudut (°)" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "Atom 2" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "Atom 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "π Heliks" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "Heliks" #: qtplugins/propertytables/propertymodel.cpp:939 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "Lembar" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 Helix" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Properti Atom…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Properti Ikatan…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Properti Sudut…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Properti Torsi…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Properti Residu…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "Jendela untuk menampilkan properti atom, ikatan, angle dan torsi." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Berbagai Properti" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Properti Atom" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Properti Ikatan" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Properti Sudut" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Properti Torsi" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Properti Conformer" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Citrakan bentuk primitif menggunakan properti QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Grafik Molekuler…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "Grafik Molekuler dengan Pasangan Tunggal…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "Muatan Atom…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Buka berkas WFN" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Berkas WFN (*.wfn);;Semua berkas (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Ekstensi QTAIM" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "Tengah" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "Tata Ulang" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Pilih Semua" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Tidak Ada yang dipilih" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 #, fuzzy #| msgid "Color by Element" msgid "Select by Element…" msgstr "Warna berdasarkan Unsur" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Residue…" msgstr "Pilih berdasarkan Residu..." #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 #, fuzzy #| msgid "Ignore Selection" msgid "Enlarge Selection" msgstr "Lupakan Pilihan" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Pilih" #: qtplugins/select/select.cpp:180 #, fuzzy #| msgid "Color by Element" msgid "Select Element" msgstr "Warna berdasarkan Unsur" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" msgstr "Pilih berdasarkan Residu..." #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "Pilih" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Pemilihan" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 #, fuzzy msgid "Paint Atoms" msgstr "Awal Atom" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 #, fuzzy #| msgid "New Label:" msgid "New Layer" msgstr "Label Baru:" #: qtplugins/spacegroup/spacegroup.cpp:50 #, fuzzy msgid "Perceive Space Group…" msgstr "Mengambil grup ruang..." #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "Simetris" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "Isi Unit Sel…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "Kurangi Ukuran Asimetrik" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "Space Group" msgstr "Grup ruang" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 #, fuzzy msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Pengambilan grup ruang gagal.\n" "\n" "Apakah anda akan mencoba lagi dengan toleransi berbeda?" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "Pilih toleransi di Å:" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "Internasional" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "Hermann-Maugin" #: qtplugins/spacegroup/spacegroup.cpp:385 #, fuzzy msgid "Select Space Group" msgstr "Pilih ruangkelompok" #: qtplugins/spacegroup/spacegroup.h:24 #, fuzzy msgid "SpaceGroup" msgstr "Grup ruang" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgid "Spectra" msgid "Spectra" msgstr "Spektra" #: qtplugins/spectra/spectra.h:38 #, fuzzy #| msgid "Display as &row vectors" msgid "Display spectra plots." msgstr "Menampilkan baris vektor" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "InfraMerah" #: qtplugins/spectra/spectradialog.cpp:440 #, fuzzy #| msgctxt "Raman spectrum" #| msgid "Raman" msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 #, fuzzy #| msgid "electron" msgid "Electronic" msgstr "elektron" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 #, fuzzy #| msgid "&Density Of States Settings" msgid "Density of States" msgstr "Kemampatan States" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Pilih Warna Latar" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Pilih Warna Depan" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "Pilih Warna Spektrum Hitungan" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "Pilih Warna Spektrum Impor" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 #, fuzzy #| msgid "Wavenumber (cm-1)" msgid "Wavenumbers (cm⁻¹)" msgstr "Nomor gelombang (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 #, fuzzy #| msgid "Import Spectra" msgid "Raman Spectra" msgstr "Raman Spektra" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "Intensitas" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 #, fuzzy #| msgid "Shift (ppm)" msgid "Chemical Shift (ppm)" msgstr "Shift (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Energi (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "Kerapatan" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Orbit" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Simetri" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Status" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Orbit Molekuler" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Kepadatan Elektron" #: qtplugins/surfaces/surfacedialog.cpp:173 #, fuzzy #| msgid "Density" msgid "Spin Density" msgstr "Kerapatan" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Create Surfaces" msgid "Create Surfaces…" msgstr "Membuat Permukaan…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 #, fuzzy msgid "Calculating electron density" msgstr "Menghitung Kepadatan Elektron" #: qtplugins/surfaces/surfaces.cpp:595 #, fuzzy msgid "Calculating spin density" msgstr "Menghitung Kepadatan Elektron" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Bidang Permukaan" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 #, fuzzy #| msgid "Symmetry" msgid "Symmetry…" msgstr "Simetri…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, fuzzy, qt-format msgid "Group %1" msgstr "Grup %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 #, fuzzy #| msgid "Vibrational Modes" msgid "Vibrational Modes…" msgstr "mode getar…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "Getaran" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, fuzzy, qt-format #| msgid "G03 failed to start." msgid "Error: %1 failed to start" msgstr "Gagal menjalankan %1" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dialog" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Bentuk" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #, fuzzy #| msgid "Submit %1 Calculation" msgid "Submit Calculation…" msgstr "Submit %1 Kalkulasi" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "Segarkan" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Inti Prosesor:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "Sisipkan Fragmen" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Sisipkan" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Bidang Gaya:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Sukses!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial charge" msgid "Partial Charges" msgstr "Muatan parsial" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Tempelkan" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Terapkan" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Tata Ulang Semua" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Bawaan" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy #| msgid "Save File" msgid "Save File…" msgstr "Simpan Berkas" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "Pengaturan Dasar" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Judul:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Hitung:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Metoda:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Pilihan Super Sel" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Ulang A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Ulang B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Ulang C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Matriks Sel:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "Terapkan" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Satuan Skala Volume Sel" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "Baru &Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "LabelTeks" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Orde Ikatan:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " langkah" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Metode Optimisasi" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Masukan GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Dalam:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Pengalian:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Dengan:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Muatan:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Cari" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nama" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "sinonim" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "formula" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Unduh" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Nama:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy #| msgid "G" msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy #| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Urutan:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other" msgid "Other" msgstr "Lainnya" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Tunggal" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Dua" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "Masukan LAMMPS" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Masukkan berkas komentar" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elektron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "ikatan" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "muatan" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "penuh" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "garis" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Suhu" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "fm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Replikasi" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussian" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "seragam" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Interval Keluaran" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Gunakan Bentuk" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy #| msgid "Generation Temp:" msgid "Generate…" msgstr "Generasi" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "&Translate " msgid "Translate by:" msgstr "Geser " #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) #, fuzzy #| msgid "Origin:" msgid "Origin" msgstr "Titik Asal" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Pencarian Conformer" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Metoda" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Number of conformers" msgid "Number of conformers:" msgstr "Jumlah dari conformer:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Pencarian rotor sistematik" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Pencarian rotor acak" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Pencarian rotor terbeban" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) #, fuzzy #| msgid "Genetic Algorithm Search" msgid "Genetic algorithm search" msgstr "Algoritma Pencarian Generik" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Teknik pencarian garis:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Cara Steepest Descent" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Sederhana" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Metode Newton" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "Skrip" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Coord Masukan:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Masukan Topologi:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Bidang Gaya:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Model Air:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Pelarut Implisit (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Platform:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Referensi" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Presisi:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "tunggal" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "campuran" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "ganda" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Indeks Perangkat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "Indeks Platform OpenCL:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "Metode nonbonded:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Toleransi Ewald:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Kendala:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "HBonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "Air kaku?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "Salah" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr " nm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Kecepatan awal acak:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Suhu Generasi:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrator:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "VariabelLangevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "VariabelVerlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "Langkah waktu:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr " fs" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "toleransi kesalahan:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "/ps" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Suhu:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Barostat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Tekanan:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr " atm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Interval Barostat" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Reporter:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "StatusData" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Interval Laporan:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) #, fuzzy #| msgid "Equilibriation Steps:" msgid "Equilibration Steps:" msgstr "langkah-langkah mengkalibrasi:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "langkah-langkah produksi:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "memperkecil?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Maksimum langkah-langkah yang diperkecil:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "urutan langkah" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "waktu" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "kecepatan" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "perkembangan" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Energi potensial" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "energi kinetik" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Energi Total" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "Volume" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Radius Maksimum:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Tahap (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Opsi Pola XRD Teoritis" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Nomor dari poin-poin:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "luas terpuncak:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Panjang gelombang:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" "

      Panjang gelombang x-ray dalam Angstroms.

      " "Default: 1.50560 Å

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "maksimum 2*teta:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "mengunduh dokumen terpilih" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Jejari Titik Kritis:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Jejari Jejak Ikatan:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Kovalen" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Ukuran Konstan" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "pilih warna" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy #| msgid "Frequency Scale Factor:" msgid "Scale Factor:" msgstr "Faktor Skala Frekuensi:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Peak width:" msgid "Peak Width:" msgstr "luas terpuncak:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) #, fuzzy #| msgid "Threshold:" msgid "Peak Threshold:" msgstr "Batasan:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "Pen&ilan" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Tampilkan" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "Impor spektra hasil eksperimen sebagai tambahan dalam plot" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Impor..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Atur Warna..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Spektra yang diimpor:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Ekspor..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Latar Belakang:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Export Calculated Spectrum" msgid "Calculated Spectra:" msgstr "Spektrum Perhitungan:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy #| msgid "10e-" msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Ekspor Data" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "T&utup" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Kontrol:\n" "Klik kiri dua kali: Mengembalikan batas sumbu bawaan\n" "Klik kanan + seret: Menggeser Plot\n" "Klik tengah + seret: Perbesar atau perkecil daerah\n" "Putar roda tetikus: Perbesar atau perkecil menurut kursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "&Muat data..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Kualitas: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Sangat Rendah" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Rendah" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Sedang" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Tinggi" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Sangat Tinggi" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Membuat Permukaan" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Permukaan:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alpha" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Warna dengan:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy #| msgctxt "Electrostatic potential surface type" #| msgid "Electrostatic Potential" msgid "Electrostatic Potential" msgstr "Potensial Elektrostatik" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolusi:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Nilai PermukaanISO:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " K" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Terang" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Menghitung" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "c1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekul" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "atom yang sama secara simetris:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Kunci Simetri" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operasi" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Elemen simetri:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Subkelompok" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Subkelompok:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Toleransi:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Ketat" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normal" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Longgar" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Sangat Longgar" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Deteksi Simetri" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) #, fuzzy #| msgid "Center" msgid "Centers" msgstr "Tengah" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "1: Linear" msgstr "Linier" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "2: Linear" msgstr "Linier" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "Tipe:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) #, fuzzy msgid "From Clipboard" msgstr "dari Clipboard" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Grup" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Grup:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "mode getar" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitudo:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "Memulai Animasi" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "Menghentikan Animasi" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Min y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Nomor dari Dimensi:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "Tampilkan Input Yaehmop?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Waluyo Adi Siswanto, ,Launchpad Contributions:," "Geoff Hutchison,Waluyo Adi Siswanto, ,Launchpad Contributions:,Geoff " "Hutchison,Waluyo Adi Siswanto, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,Waluyo Adi Siswanto, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,Waluyo Adi Siswanto, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,Waluyo Adi Siswanto, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,Waluyo Adi Siswanto, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,Waluyo Adi Siswanto, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,Waluyo Adi Siswanto, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,Muhammad Radifar,Waluyo Adi Siswanto, ,Launchpad Contributions:," "Avogadro Team,Geoff Hutchison,Muhammad Radifar,Samsul Ma'arif,Waluyo Adi " "Siswanto, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison,Muhammad " "Radifar,Samsul Ma'arif,Waluyo Adi Siswanto" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "Email anda" #, fuzzy #~| msgid " eV" #~ msgid "eV" #~ msgstr " eV" #, fuzzy #~| msgid " eV" #~ msgid "eV)" #~ msgstr " eV" #, fuzzy #~| msgid "Partial charge" #~ msgid "Partial Charge" #~ msgstr "Muatan parsial" #~ msgid "Animation Tool" #~ msgstr "Alat Animasi" #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals" #, fuzzy #~ msgid "Geometry" #~ msgstr "Geometri" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Tambahkan &Unit Sel" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Indeks Atom" #, fuzzy #~ msgid "By Distance" #~ msgstr "Jarak" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Indeks Atom" #, fuzzy #~| msgid "Copy" #~ msgid "&Copy" #~ msgstr "Salin" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "Nama Molekul IUPAC:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Berat Molekul (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Rumus Kimia:" #~ msgid "Number of Atoms:" #~ msgstr "Nomor dari Atom:" #~ msgid "Number of Bonds:" #~ msgstr "Nomor dari Ikatan:" #~ msgid "TODO" #~ msgstr "Perlu Dikerjakan" #, fuzzy #~ msgid "Line Size:" #~ msgstr "luas terpuncak:" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "Optimisasi" #, fuzzy #~ msgid "In." #~ msgstr "Dalam:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragmen..." #, fuzzy #~| msgid "DFT Functional:" #~ msgid "Functional Groups" #~ msgstr "DFT Fungsional:" #~ msgid "Other..." #~ msgstr "Lainnya..." #, qt-format #~ msgid "clientServer/%1:%2/lastOpenDir" #~ msgstr "clientServer/%1:%2/lastOpenDir" #, fuzzy #~ msgid "Filename" #~ msgstr "Nama berkas:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Struktur:" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navigasi" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navigasi" #~ msgid "OK" #~ msgstr "Ok" #~ msgid "Cancel" #~ msgstr "Batalkan" #~ msgid "http://localhost:8080/api/v1" #~ msgstr "http://localhost:8080/api/v1" #~ msgid "API Key:" #~ msgstr "Kunci API:" #~ msgid "Config" #~ msgstr "Konfigurasi" #~ msgid "Upload" #~ msgstr "Unggah" #~ msgid "Singularity" #~ msgstr "Singularitas" #~ msgid "Container:" #~ msgstr "Kontainer:" #~ msgid "Image:" #~ msgstr "Gambar:" #~ msgid "Input Parameters:" #~ msgstr "Parameter Masukan:" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Nama Unsur" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Semua berkas" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Rhombohedral" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molekul" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Tidak ada atur molekul" #~ msgid "Z Å)" #~ msgstr "Z Å)" #, qt-format #~ msgid "%1: File exists and is not writable." #~ msgstr "%1: File ada dan tidak bisa ditulis." #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Kristal" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Tambah Hidrogen untuk pH..." #~ msgid "Atom Properties..." #~ msgstr "Properti Atom..." #~ msgid "Bond Properties..." #~ msgstr "Properti Ikatan..." #~ msgid "Angle Properties..." #~ msgstr "Properti Sudut..." #~ msgid "Torsion Properties..." #~ msgstr "Properti Torsi..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Properti Molekul..." #~ msgid "Create Surfaces..." #~ msgstr "Membuat Permukaan..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Simetri" #~ msgid "Ctrl+E" #~ msgstr "Ctrl+E" #~ msgid "Insert Fragment..." #~ msgstr "Sisipkan Fragmen..." #~ msgid "Theory:" #~ msgstr "Teori:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Jarak (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Dapat diputar" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Panjang %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Sudut %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Sudut %1" #, fuzzy #~ msgid "Angle" #~ msgstr "Sudut:" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Torsi %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsi %1" #~ msgid "Torsion" #~ msgstr "Torsi" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "Energi (kJ/mol):" #~ msgid "Yes" #~ msgstr "Ya" #~ msgid "No" #~ msgstr "Tidak" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Masukan Pembuat..." #, fuzzy #~ msgid "Import" #~ msgstr "Impor" #~ msgid "Insert SMILES" #~ msgstr "Sisipkan SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Sisipkan SMILES fragmen:" #~ msgid "Insert Crystal" #~ msgstr "Masukkan Kristal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Sisipkan fragmen molekul untuk membuat molekul yang lebih besar" #~ msgid "E&xtensions" #~ msgstr "E&kstensi" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimisasi Geometri" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Optimisasi Geometri" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Tambah Hidrogen" #, fuzzy #~ msgid "Stopped" #~ msgstr "Berhenti" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Bidang Permukaan" #~ msgid "Color by Index" #~ msgstr "Warna berdasarkan Indeks" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Warna berdasarkan Indeks (merah, oranye, kuning, hijau, biru, ungu)." #~ msgid "Color by Partial Charge" #~ msgstr "Warna berdasarkan Muatan Parsial" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "Warna berdasarkan muatan parsial (biru = positif, merah = negatif)" #~ msgid "Custom Color:" #~ msgstr "Warna Atur Sendiri:" #~ msgid "Set custom colors for objects" #~ msgstr "Atur warna untuk obyek" #~ msgid "Color by Distance" #~ msgstr "Warna berdasarkan jarak" #~ msgid "Color by distance from the first atom." #~ msgstr "Warna berdasarkan jarak dari atom pertama" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Warna berdasarkan Unsur (karbon = kelabu, oksigen = merah, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Warna berdasarkan Residu (tipe asam amino, hidrofobisitas, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "Pola SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Warna Sorot:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Warna Berdasarkan Pola SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Sorot fitur tertentu yang sesuai dengan pola SMARTS" #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoktium" #~ msgid "Engines" #~ msgstr "Mesin" #~ msgid "Axes" #~ msgstr "Sumbu" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Menggambarkan sumbu x, y, dan z di titik pusat" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "" #~ "Menggambarkan bentuk dasar menggunakan Bola (atom) dan Batang (ikatan)" #~ msgid "Hydrogen Bond" #~ msgstr "Ikatan Hidrogen" #~ msgid "Renders hydrogen bonds" #~ msgstr "Menggambarkan ikatan hidrogen" #~ msgid "Select Atom Labels Color" #~ msgstr "Pilih Warna Label Atom" #~ msgid "Select Bond Labels Color" #~ msgstr "Pilih Warna Label Ikatan" #~ msgid "Select Bond Labels Font" #~ msgstr "Pilih Warna Label Ikatan" #~ msgid "Polygon" #~ msgstr "Poligon" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "" #~ "Menggambarkan atom sebagai bentuk tetrahedral, oktahedral, dan bentuk " #~ "poligon" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Menggambar struktur utama protein dengan pita" #~ msgid "Ring" #~ msgstr "Cincin" #~ msgid "Renders rings with colored planes" #~ msgstr "Menggambar cincin dengan bidang berwarna" #~ msgid "Simple Wireframe" #~ msgstr "Wireframe sederhana" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Menggambar ikatan dengan jaring (garis), sesuai untuk melekul besar" #~ msgid "Van der Waals Spheres" #~ msgstr "Bola Van der Waals" #~ msgid "Stick" #~ msgstr "Batang" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Kepadatan elektron, isosurface = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, PermukaanIso = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Membuat gambar ikatan dengan jaringan (garis), sesuai untuk (bio)molekul " #~ "yang sangat besar" #~ msgid "Trajectory files" #~ msgstr "Berkas trayektori" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Berkas DL-POLY HISTORY" #~ msgid "Open Trajectory File" #~ msgstr "Berkas Trayektori Terbuka" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Menambah ekstensi .avi" #~ msgid "Animation..." #~ msgstr "Animasi..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Tidak bisa membaca format dari berkas %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Gagal membaca berkas trayektori %1." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Perlu menyatakan nama berkas .avi yang sahih." #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "Alat GL tidak di inisiasi dengan benar untuk menyimpan video" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Nama berkas video tidak sahih. Perlu menyertakan direktori berkas secara " #~ "lengkap" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Nama berkas video tidak sahih. Perlu menyertakan direktori berkas secara " #~ "lengkap, diakhiri dengan .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Tidak bisa mengenali format dari berkas: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animasi trayektori, reaksi dan getaran." #~ msgid "Cartesian Editor" #~ msgstr "Penyunting Cartesian" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Unit sel belum didefinisakan untuk molekul -- tidak bisa menggunakan " #~ "koordinat molekul." #~ msgid "Cartesian Editor..." #~ msgstr "Pneyunting Kartesian..." #~ msgid "Cartesian editor" #~ msgstr "Penyunting Cartesian" #~ msgid "Number of atoms: %1" #~ msgstr "Jumlah atom: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Jumlah ikatan yang bisa diputar: %1" #~ msgid "Add constraint" #~ msgstr "Tambahkan kendala" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Untuk menambah kendala, molekul anda harus terdiri dari paling tidak satu " #~ "atom" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Untuk menambah satu kendala ikatan, molekul anda harus mempunyai paling " #~ "sedikit dua atom" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Untuk menambah satu kendala sudut, molekul anda harus mempunyai paling " #~ "sedikit tiga atom" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Untuk menambah satu kendala torsi, molekul anda harus mempunyai paling " #~ "sedikit empat atom" #~ msgid "&Crystallography" #~ msgstr "Kristalografi" #~ msgid "&Reduce" #~ msgstr "Sederhanakan" #~ msgid "&Length Unit" #~ msgstr "Satuan Panjang" #~ msgid "&Angle Unit" #~ msgstr "Satuan Sudut" #~ msgid "Coordinate &Preservation" #~ msgstr "Pilihan koordinat" #~ msgid "&Matrix Display" #~ msgstr "Tampilan Matriks" #~ msgid "Hide &Editors" #~ msgstr "Sembunyikan &Editors" #~ msgid "Show &Editors" #~ msgstr "Perlihatkan &Editors" #~ msgid "Hide &Property Display" #~ msgstr "Sembunyikan Tampilan &Property" #~ msgid "Show &Property Display" #~ msgstr "Perlihatkan Tampilan &Property" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Tipe Kisi: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Kelompokruang: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Volume sel unit: %L1%2" #~ msgid "Undefined" #~ msgstr "Tak-terdefinisi" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triklin" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoklin" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ortorombik" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonal" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Heksagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Kubik" #~ msgid "Paste Crystal" #~ msgstr "Tempelkan Kristal" #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Gagal mereduksi jumlah sel setelah 1000 kali pengulangan algoritma " #~ "reduksi. Proses diberhentikan." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Putar ke Orientasi Standar" #~ msgid "&Slab..." #~ msgstr "$Slab...." #~ msgid "Set &Spacegroup..." #~ msgstr "Atur Grup ruang" #~ msgid "&Fill Unit Cell" #~ msgstr "isi satuan sel" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Isi satuan sel dengan grup ruang yang sekarang" #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Kurangi ke ukuran &Asimetrik" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "" #~ "Pindahkan atom dalam posisi yang sama (berlawanan dengan Fill Unit Cell)" #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Kristal Simetri" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Sederhanakan Sel (&Primitif)" #~ msgid "&Bohr" #~ msgstr "Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometer" #~ msgid "&Picometer" #~ msgstr "&Pikometer" #~ msgid "&Degree" #~ msgstr "&Derajat" #~ msgid "&Radian" #~ msgstr "&Radian" #~ msgid "Display &cartesian coordinates" #~ msgstr "Tampilkan koordinat kartesian" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Tetap Menggunakan Koordinat Kartesian Ketika Modifikasi Sel" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Tetap Menggunakan Koordinat Fraksional Ketika Modifikasi Sel" #~ msgid "Display &cartesian matrix" #~ msgstr "Menampilkan matriks kartesian" #~ msgid "Display &fractional matrix" #~ msgstr "Menampilkan matriks fraksional" #~ msgid "Display as &column vectors" #~ msgstr "Menampilkan kolom vektor" #~ msgid "&Crystal View Options..." #~ msgstr "Pilihan melihat &Kristal..." #~ msgid "Set Spacegroup" #~ msgstr "Atur grup ruang" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Tidak ada ruangkelompok yang diatur untuk dokumen ini.\n" #~ "\n" #~ "Apakah Anda ingin mengatur sebuah ruang kelompok sekarang?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Ruang kelompok P1 terdeteksi -- tidak dapat mensimetriskan ke ruang " #~ "kelompok ini.\n" #~ "\n" #~ "Apakah Anda ingin mencoba lagi dengan toleransi berbeda?" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Masukkan Atom-atom Kedalam Sel" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Sederhanakan ke Sel Niggli" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Pilih toleransi di satuan kartesian yang dipakai:" #~ msgid "Crystallography" #~ msgstr "Kristalografi" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Menyusun and menganalisis struktur periodik." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "Masukan tidak mengikuti salah satu dari\n" #~ "format yang didukung berikut:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "Format VASP\n" #~ msgid "Bad Compostion" #~ msgstr "Komposisi Salah" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "Field teridentifikasi harus berisi nomor yang sama dari pemisah ruang " #~ "entri seperti baris 6 dari POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Koordinat Kartesian" #~ msgid "Fractional Coordinates" #~ msgstr "Koordinat Fraksional" #~ msgid "Set Fractional Coordinates" #~ msgstr "Atur Koordinat Fraksional" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Matriks Sel (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Atur Matriks Satuan Sel" #~ msgid "Set Unit Cell Params" #~ msgstr "Atur Param Satuan Sel" #~ msgid "Working..." #~ msgstr "Bekerja..." #~ msgid "Build" #~ msgstr "Bangun" #~ msgid "Cut Slab From Crystal" #~ msgstr "Potong Slab dari Kristal" #~ msgid "No GLWidget?" #~ msgstr "Tanpa GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Silahkan pilih satu atau beberapa atom." #~ msgid "Trajectory..." #~ msgstr "Trajektori..." #~ msgid "Open chemical file format" #~ msgstr "Buka format berkas kimia" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Berkas kimia (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Buka berkas parameter" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Berkas kimia (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Impor Trayektori" #~ msgid "Import trajectory files" #~ msgstr "Impor berkas trayektori" #~ msgid "Calculate Energy" #~ msgstr "Menghitung Energi" #~ msgid "Conformer Search..." #~ msgstr "Pencarian Conformer..." #~ msgid "Constraints..." #~ msgstr "Kendala..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Tidak bisa menetapkan gaya bidang yang sekarang untuk molekul ini. " #~ "Dipindahkan ke UFF." #~ msgid "Geometric Optimization" #~ msgstr "Optimisasi Geometrik" #~ msgid "Systematic Rotor Search" #~ msgstr "Pencarian Rotor Sistimatik" #~ msgid "Random Rotor Search" #~ msgstr "Pnecarian Rotor Acak" #~ msgid "Weighted Rotor Search" #~ msgstr "Pencarian Rotor Terbeban" #~ msgid "ForceField" #~ msgstr "BidangGaya" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimalkan molekul dan membentuk conformer menggunakan mekanika molekular " #~ "bidang gaya" #~ msgid "&Vector Graphics..." #~ msgstr "&Vektor Grafik ..." #~ msgid "Common vector image formats" #~ msgstr "Format gambar vektor yang umum" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Ekspor Vector Graphics" #~ msgid "Change H to Methyl" #~ msgstr "Meruba H ke Metil" #~ msgid "H to Methyl" #~ msgstr "H ke Metil" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transformasi hidrogen ke grup metil" #~ msgid "Add or remove hydrogens" #~ msgstr "Tambah atau hapus hidrogen" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Masukkan rantai DNA/RNA" #~ msgid "Peptide..." #~ msgstr "Peptide..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Sisipkan urutan oligopeptide" #~ msgid "Invert Chirality" #~ msgstr "Inverskan Chirality" #~ msgid "InvertChiral" #~ msgstr "InvertChiral" #~ msgid "Invert chiral centers" #~ msgstr "Balik sumbu chiral" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "tak dikenal" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Perkiraan Momen Dipol (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Tampilkan properti molekul standar" #~ msgid "Fetch by chemical name..." #~ msgstr "Ambil menurut nama kimia......" #~ msgid "Fetch from URL..." #~ msgstr "Mengambil dari URL..." #~ msgid "PDB Entry" #~ msgstr "Entri PDB" #~ msgid "PDB entry to download." #~ msgstr "Entri PDB untuk muaturun." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL molekul untuk muaturun." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Molekul yang dikehendaki tidak bisa dimuat: %1" #~ msgid "Network Fetch" #~ msgstr "Pengambilan dari Jaringan" #~ msgid "Fetch molecule files over the network." #~ msgstr "Mengambil berkas molekul dari jaringan." #~ msgid "Show Preview" #~ msgstr "Mengeluarkan Pratampilan" #~ msgid "Hide Preview" #~ msgstr "Menyembunyikan Pratampilan" #~ msgid "Intensities" #~ msgstr "Intensitas" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Menyimpan gambar hasil POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Berkas gambar (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Nama berkas yang diberikan tidak sahih." #~ msgid "Does not compute." #~ msgstr "Tidak melakukan perhitungan" #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Anda meminta tidak menggambar langsung menggunakan POV-Ray dan tidak " #~ "menyimpan berkas POV-Ray. Keluaran yang dihasilkan tidak akan disimpan. " #~ "Apakah ini anda inginkan?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Tidak bisa menulis ke berkas %1. Apakah anda mempunyai hak menulis ke " #~ "lokasi tersebut?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray gagal dijalankan." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray gagal dijalankan. Kemungkinan karena lokasi berkas yang " #~ "dijalankan tidak tepat." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Membuat berkas POV-Ray dan memunculkan gambar hasil menggunakan perintah " #~ "baris program POV-Ray." #~ msgid "Conformer Properties..." #~ msgstr "Properti Conformer..." #~ msgid "Python Terminal" #~ msgstr "Terminal Python" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Terminal interaktif untuk skrip python" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Peringatan Pembuat Dek Masukan Abinit" #~ msgid "Abinit_Input_Deck" #~ msgstr "Dek_Masukan_Abinit" #~ msgid "Abinit Running." #~ msgstr "Menjalankan Abinit." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Abinit sedang berjalan. Mohon ditunggu sampai perhitungan sebelumnya " #~ "selesai." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit Belum Terpasang." #~ msgid "The abinit executable cannot be found." #~ msgstr "Berkas menjalankan Abinit tidak ditemukan." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "abinit tidak bisa dijalankan. Mungkin tidak dipasang dengan benar." #~ msgid "Running Abinit calculation..." #~ msgstr "Perhitungan Abinit sedang berjalan..." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit tidak berjalan dengan benar. Mungkin tidak dipasang dengan benar." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Peringatan Pembuat Berkas Masukan Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Apakah anda ingin memperbarui pratampilan teks, dan menghilangkan semua " #~ "perubahan pada pratampilan berkas masukan Dalton" #~ msgid "QM Matches" #~ msgstr "QM Sesuai" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Pemilihan EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Pemilihan QM..." #~ msgid "Delete" #~ msgstr "Hapus" #~ msgid "You must make a selection!" #~ msgstr "Anda harus memilih salah satu!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Konversi SMILES tidak tersedia" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Konversi Format SMILES Tidak Tersedia!" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Membuat berkas masukan untuk program kimia kuantum GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Pengaturan Lanjut Berubah" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Pengaturan lanjut sudah dipilih.\n" #~ "Dibatalkan?" #~ msgid "Advanced Settings Reset" #~ msgstr "Tata Ulang Pengaturan Lanjut" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Anda yakin ingin menata ulang pengaturan lanjut?\n" #~ "Semua perubahan akan terhapus!" #~ msgid "Basic Settings Reset" #~ msgstr "Tata Ulang Pengaturan Dasar" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Anda yakin ingin menata ulang pengaturan dasar?\n" #~ "Semua perubahan akan terhapus!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Peringatan pembuat berkas masukan GAMESS-UK" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Apakah akan memperbarui teks pratampilan, dengan konsekuensi perubahan di " #~ "jendela pratampilan berkas masukan GAMESS-UK akan hilang?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Berkas masukan GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Pembuat Peringatan Masukan Program Gaussian" #~ msgid "Gaussian Input Deck" #~ msgstr "Masukan Program Gaussian" #~ msgid "Gaussian Running." #~ msgstr "Gaussian Sedang Berjalan." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian sedang berjalan. Tunggu sampai perhitungan sebelumnya selesai." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian Tidak Di Instal." #~ msgid "The G03 executable, cannot be found." #~ msgstr "G03 yang bisa dijalankan, tidak ditemukan." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "" #~ "G03 tidak bisa dijalankan. Mungkin tidak bisa di instal dengan benar." #~ msgid "Running Gaussian calculation..." #~ msgstr "Menjalankan perhitungan Gaussian..." #~ msgid "G03 Crashed." #~ msgstr "G03 Gagal." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian tidak bisa dijalankan dengan semestinya. Mungkin tidak di instal " #~ "dengan benar." #~ msgid "&Abinit..." #~ msgstr "Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Peringatan Pembuat Berkas Masukan Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Apakah anda akan memperbarui tampilan teks, semua perubahan yang ada " #~ "dalam berkas masukan Molpro pada jendela pratampilan akan hilang?" #~ msgid "Molpro Input Deck" #~ msgstr "Berkas Masukan Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Peringatan Masukan MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Berkas Masukan MOPAC" #~ msgid "MOPAC Running." #~ msgstr "MOPAC sedang berjalan." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "MOPAC sedang berjalan. Tunggu sampai perhitungan sebelumnya selesai." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC Belum di instal." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Berkas program MOPAC yang bisa dijalankan tidak ditemukan." #~ msgid "MOPAC failed to start." #~ msgstr "MOPAC gagal dijalankan." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC tidak bisa dijalankan. Kemungkinan tidak di instal dengan benar." #~ msgid "Running MOPAC calculation..." #~ msgstr "Perhitungan MOPAC sedang berlangsung..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC Bertabrakan." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC tidak berjalan dengan benar. Kemungkingan tidak di instal dengan " #~ "benar." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Pembuat Peringatan Masukan Program NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Apakah anda akan memperbarui teks pratampilan, semua perubahan pada " #~ "masukan progam NWChem di jendela pratampilan akan terhapus?" #~ msgid "NWChem Input Deck" #~ msgstr "Berkas Masukan NWChem" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Pembuat Peringatan Masukan Program Q-Chem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Apakah anda akan memperbarui teks pratampilan, semua perubahan pada " #~ "masukan progam Q-Chem di jendela pratampilan akan terhapus?" #~ msgid "QChem Input Deck" #~ msgstr "Berkas Masukan QChem" #~ msgid "Select SMARTS..." #~ msgstr "Pemilihan SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Tambah Pilihan Yang Dinamai..." #~ msgid "SMARTS Selection" #~ msgstr "Pilihan SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Memilih pola SMARTS" #~ msgid "There is no current selection." #~ msgstr "Sekarang belum ada pilihan" #~ msgid "Add Named Selection" #~ msgstr "Tambah Pilihan Yang Dinamai" #~ msgid "Name cannot be empty." #~ msgstr "Nama tidak boleh kosong." #~ msgid "There is already a selection with this name." #~ msgstr "Sudah ada pilihan dengan nama ini" #~ msgid "Selections" #~ msgstr "Pilihan" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Pilih atom, ikatan, residu..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL Shader..." #~ msgid "Open a vertex shader source file" #~ msgstr "Buka berkas sumber vertex shader" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Berkas vertex shader (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Buka berkas sumber fragmen shader" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Berkas fragmen shader (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Buka berkas parameter shader" #~ msgid "Shader parameters files (*.params)" #~ msgstr "berkas parameter shader (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL Shader" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Memuat dan menggunakan OpenGL 2.0 GLSL shader" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensitas (arb. units)" #~ msgid "Density of States (states/cell)" #~ msgstr "Kemampatan States (states/cell)" #~ msgid "Density of States (states/atom)" #~ msgstr "Kemampatan States (states/atom)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Kemampatan States (states/valence electron)" #~ msgid "Transmittance (%)" #~ msgstr "Transmitansi (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbansi (%)" #~ msgid "No intensities" #~ msgstr "Tanpa intensitas" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Data getaran di molekul yang anda tambahkan tidak mempunyai data " #~ "intensitas. Sembarang angka diberikan sebagai intensitas untuk tujuan " #~ "penggambaran." #~ msgid "Activity" #~ msgstr "Aktivitas" #~ msgid "X Axis" #~ msgstr "Sumbu X" #~ msgid "Y Axis" #~ msgstr "Sumbu Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Pengaturak Spektra &Inframerah" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "Pengaturan Spektra &NMR" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "&UV Settings" #~ msgstr "Pengaturan &UV" #~ msgid "&CD Settings" #~ msgstr "Pengaturan &CD" #~ msgid "&Raman Settings" #~ msgstr "Pengaturran &Raman" #~ msgid "No data" #~ msgstr "Tidak ada data" #~ msgid "Dark" #~ msgstr "Gelap" #~ msgid "Publication" #~ msgstr "Publikasi" #~ msgid "Handdrawn" #~ msgstr "Gambaran tangan" #~ msgid "New Scheme" #~ msgstr "Skema Baru" #~ msgid "Confirm Scheme Removal" #~ msgstr "Konfirmasi Menghapus Skema" #~ msgid "Really remove current scheme?" #~ msgstr "Apakah akam menghapus skema yang ada?" #~ msgid "Change Scheme Name" #~ msgstr "Merubah Nama Skema" #~ msgid "Enter new name for current scheme:" #~ msgstr "Tuliskan nama baru untuk sekema yang sekarang" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Angka Dipisahkan Tab (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Angka Dipisahkan Tab" #~ msgid "Comma Separated Values" #~ msgstr "Angka Dispisahkan Koma" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Impor Spektra" #~ msgid "Unknown extension: %1" #~ msgstr "Ekstensi tidak dikenal: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR data (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Data Turbomole IR (kontrol)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Data Turbomole UV (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Data Turbomole CD (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Format Data" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format:" #~ msgid "Load Spectral Data" #~ msgstr "Memuat Data Spektral" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Berkas Turbomole CD tidak diformat dengan benar : %1" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image File Format" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "Simpan Gambar Spektral" #~ msgid "&Advanced <<" #~ msgstr "&Lanjut <<" #~ msgid "&Advanced >>" #~ msgstr "&Lanjut >>" #~ msgid "&Spectra..." #~ msgstr "&Spektra..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Memvisualisasikan data spektral dari perhitungan kimia kuantum" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Analisis Getaran" #~ msgid "No vibrational displacements exist." #~ msgstr "Tidak ada simpangan getaran" #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Menggambarkan pola getaran dari perhitungan kimia kuantum" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Mengurutkan getaran %1 berdasarkan frekuensi..." #~ msgid "Pause" #~ msgstr "Jeda" #~ msgid "Super Cell Builder..." #~ msgstr "Pembangun Super Sel..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Dokumen ini merupakan molekul yang di isolasi saat ini. Anda perlu " #~ "membuat satu sel." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Membangun dan menampilkan kristalografi super sel" #~ msgid "Molecular Orbitals..." #~ msgstr "Orbit molekuler..." #~ msgid "Orbitals" #~ msgstr "Orbit" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Kosong" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Kepadatan Elektron" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Salah - tipe tidak terdefinisi" #~ msgid "Calculating VdW Cube" #~ msgstr "Menghitung kubus VdW" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Menghitung MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Menghitung orbit melekul dan bidang lainnya" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "Alat GL tidak di inisiasi dengan benar untuk membuat filem" #~ msgid "GL widget has no molecule" #~ msgstr "Alat GL tidak memiliki molekul" #~ msgid "Building video " #~ msgstr "Membuat gambar filem " #~ msgid "Could not run mencoder." #~ msgstr "Tidak dapat menjalankan mencoder" #~ msgid "Set Aspect Ratio" #~ msgstr "Atur Aspek Rasio" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Pengaturan sekarang untuk layar adalah %1x%2 piksel, dan mempunyai aspek " #~ "rasio %3.\n" #~ "Anda dapat memakai ukuran ini, apabila anda ingin menggunakan misalnya " #~ "POV-Ray\n" #~ "untuk mendapatkan gambar of %4x1000 piksel, atau anda bisa mengganti " #~ "dengan ukuran lain,\n" #~ "apabila anda ingin menggunakan POV-Ray untuk membuat gambar, seperti " #~ "ukuran 1000x1000 piksel." #~ msgid "Connect" #~ msgstr "Sambung" #~ msgid "Disconnect" #~ msgstr "Putus Sambungan" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Wii Tracking" #~ msgid "Track motion using Wii remotes" #~ msgstr "Track motion menggunakan Wii remote" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Konteks OpenGL ada kesalahan.\n" #~ "Kemungkingan ada kesalahan dalam pengaturan OpenGL (apakah anda bisa " #~ "menjalankan aplikasi OpenGL lainnya?), atau mungkin anda menemukan kutu." #~ msgid "Debug Information" #~ msgstr "Informasi Awakutu" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Ukuran Tampilan: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Atom: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: indeks %1 diluar jangkauan." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Tipe berkas '%1' tidak mempunyai dukungan untuk dibaca." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "" #~ "Tipe berkas pada berkas '%1' tidak mempunyai dukungan untuk dibaca." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Gagal membaca molekul dengan indeks %1 dari berkas '%2'." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "mengganti Molekul: indeks %1 diluar jangkauan." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Tipe berkas '%1' tidak mempunyai dukungan untuk ditulis." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "" #~ "Tipe berkas pada berkas '%1' tidak mempunyai dukungan untuk ditulis." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Tidak bisa membuka berkas '%1' untuk dibaca." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Gagal mengganti molekul dengan indeks %1 pada berkas '%2'" #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Berkas %1 tidak bisa dibuka untuk dibaca." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Berkas %1 tidak bisa dibuka untuk ditulis." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "Gagal menyimpan berkas molekul - tidak bisa menamai ulang." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "Gagal menyimpan berkas molekul - tidak bisa memberikan nama baru." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Gagal menyimpan berkas molekul - tidak bisa menghapus nama berkas lama." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "Gagal menulis molekul ke berkas'%1'. Fungsi OpenBabel gagal." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Berkas %1 tidak bisa dibuka untuk ditulis." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Gagal menulis conformer ke berkas '%1'." #~ msgid "Molecule %1" #~ msgstr "Molekul %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Enjin Python Tidak Dikenal" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: memeriksa " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - skrip belum mendefinisikan 'Enjin' class" #~ msgid " - no module" #~ msgstr " - tidak ada modul" #~ msgid "Unknown Python Extension" #~ msgstr "Ekstensi Python Tidak Dikenal" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: pengecekan " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - skrip belum mendefiniskan 'Ekstensi' class" #~ msgid "Unknown Python Tool" #~ msgstr "Alat Python Tidak Dikenal" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: pengecekan " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - skrip tidak mempunyai definisi 'Tool' class" #~ msgid "Tools" #~ msgstr "Alat-alat" #~ msgid "Align:" #~ msgstr "Pelurusan:" #~ msgid "Everything" #~ msgstr "Semuanya" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Tidak bisa mengatur bidang gaya...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Jumlah Constraints: %1" #~ msgid "Steps per Update:" #~ msgstr "Jumlah Langkah setiap Pembaruan:" #~ msgid "Algorithm:" #~ msgstr "Algoritma:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Dinamika Molekuler (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dinamika Molekuler (900K)" #~ msgid "Start" #~ msgstr "Mulai" #~ msgid "Fixed atoms are movable" #~ msgstr "Atom-atom tetap dapat dipindahkan" #~ msgid "Ignored atoms are movable" #~ msgstr "Atom-atom yang lain dapat dipindahkan" #~ msgid "AutoOpt Molecule" #~ msgstr "AutoOpt Molekul" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Optimisasi otomatis untuk geometri molekul" #~ msgid "AutoOptimization Settings" #~ msgstr "Pengaturan OptimisasiOtomatis" #~ msgid "Auto Rotation Tool" #~ msgstr "Bantuan Putaran Otomatis" #~ msgid "x rotation:" #~ msgstr "rotasi x:" #~ msgid "x rotation" #~ msgstr "rotasi x" #~ msgid "y rotation:" #~ msgstr "rotasi y:" #~ msgid "y rotation" #~ msgstr "rotasi y" #~ msgid "z rotation:" #~ msgstr "rotasi z:" #~ msgid "z rotation" #~ msgstr "rotasi z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Putaran otomatis molekul" #~ msgid "AutoRotate Settings" #~ msgstr "Pengaturan PutaranOtomatis" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Panjang Ikatan: %L1" #~ msgid " Show Angles" #~ msgstr " Tampilkan Sudut" #~ msgid "Snap-to Threshold: " #~ msgstr "Kancingkan ke Batas: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Memanipulasi Ikatan Sentrik" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulasi panjang ikatan, sudut dan torsi" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Pengaturan Manipulasi Ikatan Sentrik" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Jarak (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Jarak (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Sudut Dihedral: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Jarak:" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Pengukuran panajng ikatan, sudut, dan dihedral" #~ msgid "Draw Bond" #~ msgstr "Menggambar Ikatan" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Menggambar dan menyunting atom serta ikatan" #~ msgid "Draw Settings" #~ msgstr "Pengaturan Menggambar" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Menggeser, memutar dan mengatur atom serta fragmen" #~ msgid "Manipulate Settings" #~ msgstr "Pengaturan Manipulasi" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Menggeser, memutar dan mengatur besar kecil tampilan" #~ msgid "Navigate Settings" #~ msgstr "Pengaturan Navigasi" #~ msgid "Selection Mode:" #~ msgstr "Mode Pemilihan:" #~ msgid "Atom/Bond" #~ msgstr "Atom/Ikatan" #~ msgid "Residue" #~ msgstr "Residu" #~ msgid "Add Center of Atoms" #~ msgstr "Tambahkan Pusat dari Atom-atom" #~ msgid "Change color of the atom" #~ msgstr "Ubah warna atom" #~ msgid "Change label of the atom" #~ msgstr "Ubah label atom" #~ msgid "Change label of the bond" #~ msgstr "Ubah label ikatan" #~ msgid "Change radius of the atom" #~ msgstr "Ubah jejari atom" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Jejari Baru, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Pemilihan atom, residu dan molekul" #~ msgid "Symbol" #~ msgstr "Simbol" #~ msgid "Bond Length" #~ msgstr "Panjang Ikatan" #~ msgid "Dihedral Angle" #~ msgstr "Sudut Dihedral" #~ msgid "Z Matrix Editor..." #~ msgstr "Penyunting Matriks Z" #~ msgid "Z-Matrix" #~ msgstr "Matriks-Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Membuat/menyunting matriks-z" #~ msgid "Z-Matrix Settings" #~ msgstr "Pengaturan Matriks-Z" #~ msgid "Color residues by:" #~ msgstr "Warna Residu berdasarkan:" #~ msgid "Hydrophobicity" #~ msgstr "Hidrofobisitas" #~ msgid "Axes:" #~ msgstr "Poros:" #~ msgid "Cartesian Axes" #~ msgstr "Sumbu Cartesian" #~ msgid "Orthogonal Axes" #~ msgstr "Sumbu orthogonal" #~ msgid "Axis 1:" #~ msgstr "Sumbu 1:" #~ msgid "Axis 2:" #~ msgstr "Sumbu 2:" #~ msgid "Axis 3:" #~ msgstr "Sumbu 3:" #~ msgid "Norm" #~ msgstr "Norm" #~ msgid "Preserve vector norms" #~ msgstr "Tetap mempertahankan vektor normal" #~ msgid "Atom Radius:" #~ msgstr "Jejari Atom:" #~ msgid "Bond Radius:" #~ msgstr "Jejari Ikatan:" #~ msgid "Shape" #~ msgstr "Bentuk" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Loop" #~ msgid "Dipole:" #~ msgstr "Duakutub:" #~ msgid "Custom Vector" #~ msgstr "Vektor Aturan Sendiri" #~ msgid "Custom:" #~ msgstr "Penyesuaian:" #~ msgid "Width:" #~ msgstr "Lebar:" #~ msgid "Cut-off radius:" #~ msgstr "Jejari potong:" #~ msgid "Cut-off angle:" #~ msgstr "Sudut potong:" #~ msgid "Rendering Engine:" #~ msgstr "Mesin Pewarnaan:" #~ msgid "TextRenderer" #~ msgstr "PengaturanWarnaTeks" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Teks:" #~ msgid "Symbol & Number in Group" #~ msgstr "Simbol & Nomor dalam Grup" #~ msgid "Symbol & Atom number" #~ msgstr "Simbol & nomor Atom" #~ msgid "Residue number" #~ msgstr "Nomor residu" #~ msgid "Custom data" #~ msgstr "Data sendiri" #~ msgid "Change Font" #~ msgstr "Ganti Huruf" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Label Shift:" #~ msgid "Bond length" #~ msgstr "Panjang Ikatan" #~ msgid "Bond number" #~ msgstr "Nomor Ikatan" #~ msgid "Bond order" #~ msgstr "Orde Ikatan" #~ msgid "Radius:" #~ msgstr "Jejari:" #~ msgid "Include Nitrogens" #~ msgstr "Termasuk Nitrogen" #~ msgid "VdW Opacity:" #~ msgstr "Opasitas VdW:" #~ msgid "Orbital:" #~ msgstr "Orbit:" #~ msgid "Render:" #~ msgstr "Menggambar:" #~ msgid "Fill" #~ msgstr "Berisi" #~ msgid "Points" #~ msgstr "Titik-titik" #~ msgid "Draw Box:" #~ msgstr "Menggambar Kotak:" #~ msgid "Mapped Colors" #~ msgstr "Peta Warna" #~ msgid "Positive" #~ msgstr "Positif" #~ msgid "Negative" #~ msgstr "Negatif" #~ msgid "Show Atoms" #~ msgstr "Perlihatkan Atom" #~ msgid "Animate Trajectory" #~ msgstr "Animasi Trayektori" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Perulangan" #~ msgid "Save as .avi..." #~ msgstr "Simpan sebagai .avi..." #~ msgid "Angstroms" #~ msgstr "Angstroms" #~ msgid "Bohrs" #~ msgstr "Bohrs" #~ msgid "Fractional" #~ msgstr "Pecahan" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "Hanya koord XYZ" #~ msgid "GAMESS Input #2" #~ msgstr "GAMESS Masukan #2" #~ msgid "Priroda Input" #~ msgstr "Masukan Priroda" #~ msgid "Apply Changes" #~ msgstr "Terapkan Perubahan" #~ msgid "Cut All" #~ msgstr "Potong Semuanya" #~ msgid "Paste to the End" #~ msgstr "Tempelkan ke Akhir" #~ msgid "(None)" #~ msgstr "(Tiada)" #~ msgid "Sort by " #~ msgstr "Urutkan menurut " #~ msgid "Number of atoms:" #~ msgstr "Jumlah atom:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Jumlah ikatan yang bisa diputar:" #~ msgid "Add Constraints" #~ msgstr "Tambah kendala" #~ msgid "Ignore Atom" #~ msgstr "Tidak Hiraukan Atom" #~ msgid "Fix Atom" #~ msgstr "Atom tetap" #~ msgid "Fix Atom X" #~ msgstr "Atom Tetap X" #~ msgid "Fix Atom Y" #~ msgstr "Atom Tetap Y" #~ msgid "Fix Atom Z" #~ msgstr "Atom Tetap Z" #~ msgid "Torsion angle" #~ msgstr "Sudut Torsi" #~ msgid "Add" #~ msgstr "Tambah" #~ msgid "Save" #~ msgstr "Simpan" #~ msgid "Load" #~ msgstr "Muat" #~ msgid "Atomic &identites:" #~ msgstr "Identitas atom:" #~ msgid "by arbitrary vector" #~ msgstr "mengikuti vektor bebas" #~ msgid "Translation vector:" #~ msgstr "Vektor translasi:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "Satuan vektor:" #~ msgid "Cartesian" #~ msgstr "Cartesian" #~ msgid "&Translate" #~ msgstr "Geser" #~ msgid "All" #~ msgstr "Semua" #~ msgid "File Import..." #~ msgstr "Impor Berkas..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Berusaha melihat ikatan?" #~ msgid "Setup Force Field" #~ msgstr "Pengaturan Bidang Gaya" #~ msgid "Ghemical" #~ msgstr "Kimia" #~ msgid "Number of steps" #~ msgstr "Jumlah Langkah" #~ msgid "Algorithm" #~ msgstr "Algoritma" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Arginin" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Asparagin" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "Asam Aspartik" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Sistein" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "Asam Glutamik" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Glutamin" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Glisin" #~ msgid "Gly" #~ msgstr "Gly" #~ msgid "Histidine" #~ msgstr "Histidin" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "Isoleusin" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyr" #~ msgstr "Tyr" #~ msgid "Tryptophan" #~ msgstr "Triptopan" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "Treonin" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "Serin" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Prolin" #~ msgid "Phenylalanine" #~ msgstr "Phenilalanin" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "Metionin" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Lisin" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "Leusin" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "Urutan (N ke C):" #~ msgid "Stereochemistry:" #~ msgstr "Stereokimia:" #~ msgid "L" #~ msgstr "L" #~ msgid "N Terminus:" #~ msgstr "N Terminus:" #~ msgid "C Terminus:" #~ msgstr "C Terminus:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Straight Chain" #~ msgstr "Rantai Lurus" #~ msgid "Alpha Helix" #~ msgstr "Alpha Helix" #~ msgid "Beta Sheet" #~ msgstr "Lembar Beta" #~ msgid "Pi Helix" #~ msgstr "Pi Helix" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "Chain Number:" #~ msgstr "Nomor Rantai:" #~ msgid "The chain number for the new peptide" #~ msgstr "Nomor rantai untuk peptide baru" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Nomor dari Residu:" #~ msgid "Dipole Moment (D):" #~ msgstr "Momen Dipol (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Lanjut" #~ msgid "Control" #~ msgstr "Kontrol" #~ msgid "Grid" #~ msgstr "Grid" #~ msgid "POV-Ray Export" #~ msgstr "Ekspor POV-Ray" #~ msgid "Select..." #~ msgstr "Pilih..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Menggunakan antialiasing penuh" #~ msgid "Antialias" #~ msgstr "Antialias" #~ msgid "Set the background color to be transparent" #~ msgstr "Ubah warna latar dengan transparan" #~ msgid "Alpha transparency" #~ msgstr "Transparansi Alfa" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "" #~ "Menggambar molekul secara langsung menggunakan perintah baris POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Simpan perintah POV-Ray setelah penggambaran selesai" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Simpan perintah POV-Ray setelah penggambaran" #~ msgid "Path:" #~ msgstr "Path:" #~ msgid "Abinit Input" #~ msgstr "Masukan Abinit" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Kartesian (Angstrom)" #~ msgid "Reduced" #~ msgstr "Disederhanakan" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Toleransi untuk gaya(Ha/bohr):" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Jumlah pita:" #~ msgid "# k-point shifts:" #~ msgstr "# geseran titik-k:" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Maximum Force" #~ msgstr "Gaya Maksimum" #~ msgid "Relative Force" #~ msgstr "Gaya Relatif" #~ msgid "1 - semiconducting" #~ msgstr "1 - semiconducting" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - Cold Smearing (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 - Gaussian smearing" #~ msgid "Smearing width (Ha):" #~ msgstr "Lebar Smearing (Ha):" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - ion tidak bergerak " #~ msgid "1 - viscous damping" #~ msgstr "1 - redaman viscous" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS dengan energi" #~ msgid "# Geometrical time steps:" #~ msgstr "# Jangkah waktu Geometri:" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Menghitung..." #~ msgid "Basics" #~ msgstr "Dasar" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Memambahkan apa yang anda tulis pada baris judul di berkas masukan untuk " #~ "tujuan\n" #~ "memberikan informasi tambahan." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Pople-style" #~ msgid "Jensen's polarization consistent" #~ msgstr "Polarisasi Jensen konsisten" #~ msgid "Dunning's correlation consistent" #~ msgstr "Korelasi Dunning konsisten" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Fungsi korelasi utama" #~ msgid "Diffuse functions" #~ msgstr "Fungsi difusi" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Langsung" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Jalankan secara paralel jika memungkinkan. Hanya mungkin untuk SCF\n" #~ "fungsi gelombang dan perhitungan DFT. Dalton hanya mendukung MPI\n" #~ "untuk rilis yang sekarang dan perlu di kompail dan di instal\n" #~ "dengan benar. Jumlah nodal diatur dengan pilihan \"-N #\" ketika " #~ "menjalankan skrip \"dalton\"." #~ msgid "Parallel" #~ msgstr "Paralel" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Spesifikasi Grid" #~ msgid "Partitioning Scheme:" #~ msgstr "Skema Partisi:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (asli)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Kualitas Grid:" #~ msgid "coarse" #~ msgstr "kasar" #~ msgid "normal" #~ msgstr "normal" #~ msgid "fine" #~ msgstr "halus" #~ msgid "ultrafine" #~ msgstr "sangat halus" #~ msgid "Radial Scheme:" #~ msgstr "Skema Radial:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Tampilkan semua fungsional" #~ msgid "Property:" #~ msgstr "Properti:" #~ msgid "Polarizability" #~ msgstr "Kemampuan polarisasi" #~ msgid "Frequency Dependent" #~ msgstr "Frekuensi ikutan" #~ msgid "No. excitations:" #~ msgstr "No. eksitasi:" #~ msgid "EFP Matches" #~ msgstr "EFP Matches" #~ msgid "Group Label:" #~ msgstr "Label Grup:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "Pengaturan Lanjut" #~ msgid "Hessian" #~ msgstr "Hessian" #~ msgid "Stat Point" #~ msgstr "Poin Stat" #~ msgid "System" #~ msgstr "Sistem" #~ msgid "MO Guess" #~ msgstr "Kiraan MO" #~ msgid "Misc" #~ msgstr "Lain-lain" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Fungsi Polarisasi Atom Berat:" #~ msgid "Read" #~ msgstr "Baca" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Menghamburkan S-Shell pada Atom" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Hamburkan L-Shell pada Atom Berat" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Valensi Dua Zeta" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Valensi Tiga Zeta" #~ msgid "SBKJA Valence" #~ msgstr "Valensi SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "Valensi Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Tipe ECP:" #~ msgid "Default" #~ msgstr "Bawaan" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Fungsi Polarisasi Atom Berat:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#light Fungsi Polarisasi Atom:" #~ msgid "Polar:" #~ msgstr "Kutub:" #~ msgid "Max SCF Iterations:" #~ msgstr "Iterasi SCF Max:" #~ msgid "Gradient" #~ msgstr "Gradient" #~ msgid "Trudge" #~ msgstr "Tertatih" #~ msgid "Saddle Point" #~ msgstr "Titik Duduk" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Gradient Extremal" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Radiasi Transisi mom." #~ msgid "Spin Orbit" #~ msgstr "Orbit Putaran" #~ msgid "Finite Electric Field" #~ msgstr "Bidang Elektrik Terhingga" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Optimisasi global" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Optimisasi FMO" #~ msgid "Raman Intensities" #~ msgstr "Intensitas Raman" #~ msgid "Make EFP" #~ msgstr "Membuat EFP" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Kosong (Cl)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Tipe SCF:" #~ msgid "Localization Method:" #~ msgstr "Metoda Localisasi:" #~ msgid "Exec Type:" #~ msgstr "Tipe Exec:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Determinan Ames Lab." #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Penempatan Terbatas Ruang Aktif Berganda" #~ msgid "CI Singles" #~ msgstr "CI Tunggal" #~ msgid "Full Second Order CI" #~ msgstr "Orde Dua Cl Penuh" #~ msgid "General CI" #~ msgstr "CI Umum" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: CC Linier" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC dengan Berganda" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC dengan Tunggal dan Berganda" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Dijalankan Normal" #~ msgid "Check" #~ msgstr "Periksa" #~ msgid "Debug" #~ msgstr "Awakutu" #~ msgid "Molecule Charge:" #~ msgstr "Muatan Molekul:" #~ msgid "Run Type:" #~ msgstr "Tipe Run:" #~ msgid "Use MP2" #~ msgstr "Gunakan MP2" #~ msgid "Use DFT" #~ msgstr "Gunakan DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# dari Variabel Matriks-Z" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Orde Sumbu Utama:" #~ msgid "Coordinate Type:" #~ msgstr "Tipe Koordinat:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Koordinat Cartesian." #~ msgid "Hilderbrant internals" #~ msgstr "Internal Hilderbrant" #~ msgid "MOPAC Z-Matrix" #~ msgstr "MOPAC Matriks-Z" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Gunakan Simetri Ketika Menghitung" #~ msgid "Point Group:" #~ msgstr "Grup Poin:" #~ msgid "Minutes" #~ msgstr "Menit" #~ msgid "Hours" #~ msgstr "Jam" #~ msgid "Days" #~ msgstr "Hari" #~ msgid "Weeks" #~ msgstr "Minggu" #~ msgid "Years" #~ msgstr "Tahun" #~ msgid "Millenia" #~ msgstr "Millenia" #~ msgid "MegaWords" #~ msgstr "MegaWords" #~ msgid "MegaBytes" #~ msgstr "MegaBytes" #~ msgid "GigaWords" #~ msgstr "GigaWords" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Metoda Gaya Paralel" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Mnghasilkan berkas \"core\" saat membatalkan" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memori:" #~ msgid "Diagonalization Method:" #~ msgstr "Metoda Diagonalisasi" #~ msgid "Parallel Load Balance Type" #~ msgstr "Tipe Keseimbangan Beban Paralel" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Perulangan" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Angka Selanjutnya" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Gunakan Representasi Data Eksternal untuk Pesan Catatan" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO Dibaca ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO Disimpan (DICTNRY)" #~ msgid "Skip" #~ msgstr "Lewati" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Putar Orbit Alfa dan Beta" #~ msgid "Print the Initial Guess" #~ msgstr "Cetak Terkaan Awal" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Antarmuka GAMESS dengan Program Lain" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Paksa pada Tipe Check Run" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK Version)" #~ msgid "Solvate with Water" #~ msgstr "Solvate dengan Air" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Membuat Orbit UHF Alami" #~ msgid "Direct SCF" #~ msgstr "SCF Langsung" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Menghitung Hanya Perubahan di Matriks Fock" #~ msgid "Slater exchange" #~ msgstr "Pergantian Slater" #~ msgid "Becke 1988 exchange" #~ msgstr "Pertukaran Becke 1988" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Korelasi Vosko-Wilk-Nusair (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Korelasi Lee-Yang-Parr" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: pertukaran Slater + korelasi VWN" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: Pertukaran BECKE + korelasi VWN5" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: pertukaran BECKE + korelasi LYP" #~ msgid "Gill 1996 exchange" #~ msgstr "Pertukaran Gill 1996" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Pertukaran Perdew-Burke-Ernzerhof (PBE)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: Korelasi progresif satu-parameter" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: Korelasi SLATER + Lee-Yang-Parr (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: Korelasi SLATER + OP" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: Pertukaran BECKE + korelasi OP" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: pertukaran GILL + korelasi VWN5" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: pertukaran GILL + korelasi LYP" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: pertukaran PBE + korelasi VWN6" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: pertukaran PBE + korelasi LYP" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: pertukaran PBE + korelasi OP" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: pertukaran HF dan BECKE + korelasi LYP" #~ msgid "Grid-Free" #~ msgstr "Tanpa-Grid" #~ msgid "AO Integral Storage" #~ msgstr "Penyimpanan AO Integral" #~ msgid "Duplicated on Each Node" #~ msgstr "Ditiru pada Setiap Nodal" #~ msgid "Distributed Across All Nodes" #~ msgstr "Terdistribusi Pada Semua Nodal" #~ msgid "words" #~ msgstr "kata" #~ msgid "Compute MP2 Properties" #~ msgstr "Menghitung Properti MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Pemotongan Integral Retensi:" #~ msgid "Use Localized Orbitals" #~ msgstr "Gunakan Orbit Lokal" #~ msgid "# of Core Electrons:" #~ msgstr "# dari Elektron Inti:" #~ msgid "Transformation Method" #~ msgstr "Metoda Transformasi" #~ msgid "Two Phase Bin Sort" #~ msgstr "Two Phase Bin Sort" #~ msgid "Segmented Transformation" #~ msgstr "Transformasi Tersegmentasi" #~ msgid "Numeric" #~ msgstr "Numerik" #~ msgid "Double Differenced Hessian" #~ msgstr "Double Differenced Hessian" #~ msgid "Print Internal Force Constants" #~ msgstr "Cetak Konstanta Gaya Internal" #~ msgid "Displacement Size:" #~ msgstr "Ukuran Simpangan:" #~ msgid "Purify Hessian" #~ msgstr "Bersihkan Hessian" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Hessian Awal" #~ msgid "Guess (+ define)" #~ msgstr "Kiraan (+ definisi)" #~ msgid "Read (from $HESS)" #~ msgstr "Baca (dari $HESS)" #~ msgid "Update Step Size" #~ msgstr "Perbarui Ukuran Langkah" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Cetak Orbit pada setiap iterasi" #~ msgid "Jump Size:" #~ msgstr "Ukuran Lompatan:" #~ msgid "Stationary Point" #~ msgstr "Titik Stasioner" #~ msgid "Initial:" #~ msgstr "Awal:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Fungsi Rasional Optimisasi" #~ msgid "Quadratic Approximation" #~ msgstr "Pendekatan Kuadrat" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Optimisasi dengan Kendala" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Menghitung Ulang Setiap Hessian:" #~ msgid "Follow Mode:" #~ msgstr "Follow Mode:" #~ msgid "GAMESS-UK Input" #~ msgstr "Masukan GAMESS-UK" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Masukan GAMESS-UK yang dihasilkan Avogadro" #~ msgid "Transition State Search" #~ msgstr "Pencarian Transition State" #~ msgid "Basis:" #~ msgstr "Basis:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Matriks-Z" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "Pada mode langsung, integral tidak akan disimpan, tetapi dihitung bila " #~ "diperlukan.\n" #~ "Di beberapa sistem dengan prosesor unggul, mode ini akan lebih cepat." #~ msgid "Run in direct mode:" #~ msgstr "Jalankan pada mode langsung:" #~ msgid "Gaussian Input" #~ msgstr "Masukan Gaussian" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Standar" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Checkpoint:" #~ msgid "Z-matrix (compact)" #~ msgstr "Matrix-Z (ringkas)" #~ msgid "MOLPRO Input" #~ msgstr "Masukan MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Versi Molpro:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "Quartet" #~ msgstr "Quartet" #~ msgid "Quintet" #~ msgstr "Quintet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Masukan NWChem" #~ msgid "Q-Chem Input" #~ msgstr "Masukan Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Load Shaders" #~ msgstr "Memuat Shader" #~ msgid "Shader Name:" #~ msgstr "Nama Shader:" #~ msgid "Vertex Shader:" #~ msgstr "Vertex Shader:" #~ msgid "Fragment Shader:" #~ msgstr "Fragmen Shader:" #~ msgid "Assign Shader" #~ msgstr "Terapkan Shader" #~ msgid "Display Type:" #~ msgstr "Tipe Monitor:" #~ msgid "Font:" #~ msgstr "Huruf:" #~ msgid "Change Font..." #~ msgstr "Merubah Huruf..." #~ msgid "New..." #~ msgstr "Baru..." #~ msgid "Rename..." #~ msgstr "Namai ulang..." #~ msgid "&Schemes:" #~ msgstr "&Skema:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "Lebar:" #~ msgid "&Height" #~ msgstr "Tinggi" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Gunakan ukuran huruf yang optimal sebagai ganti dari angka dinyatakan " #~ "melalui skema" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Pengaturan Otomatis Ukuran Huru&f" #~ msgid "Spectra Tab" #~ msgstr "Tab Spektra" #~ msgid "&Gaussian Width:" #~ msgstr "Lebar &Gaussian:" #~ msgid "&Label peaks" #~ msgstr "&Label peaks" #~ msgid "Rotatory Strength type:" #~ msgstr "Tipe Rotatory Strength:" #~ msgid "Energy units:" #~ msgstr "Satuan Energi:" #~ msgid "Density units" #~ msgstr "Satuan Densitas" #~ msgid "Fermi Energy: " #~ msgstr "Fermi Energi: " #~ msgid "States / Cell" #~ msgstr "States / Sel" #~ msgid "States / Atom" #~ msgstr "States / Atom" #~ msgid "States / Valence electron" #~ msgstr "States / Elektron valensi" #~ msgid "Fermi energy at zero" #~ msgstr "Fermi energi saat nol" #~ msgid "Scale integrated DOS" #~ msgstr "Skala terintegrasi DOS" #~ msgid "Show integrated DOS" #~ msgstr "Tampilan terintegrasi DOS" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "Satuan Sumbu &Y:" #~ msgid "Scaling Type:" #~ msgstr "Tipe Skala:" #~ msgid "Relative" #~ msgstr "Relatif" #~ msgid "Laser Wavenumber:" #~ msgstr "Laser Wavenumber:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Gaussian &Width:" #~ msgstr "Le&bar Gaussian:" #~ msgid "Reset &Plot Axes" #~ msgstr "Tata Ulan Sumbu &Plot" #~ msgid "Label Peaks:" #~ msgstr "Label Peaks:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Getaran molekuler" #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Aktivitas (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "Tampilkan &Spektra..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "" #~ "getaran dengan frekuensi lebih tinggi akan memperlihatkan pergerakan " #~ "lebih cepat" #~ msgid "Animation speed set by frequency" #~ msgstr "Kecepatan animasi diatur dengan frekuensi" #~ msgid "Display force &vectors" #~ msgstr "Menampilkan &vektor gaya" #~ msgid "&Normalize displacements" #~ msgstr "Simpangan dengan &normalisasi" #~ msgid "&Recalculate All" #~ msgstr "Hitung ulang semuanya" #~ msgid "Default &Quality:" #~ msgstr "Kualitas Bawaan" #~ msgid "Show occupied orbitals first" #~ msgstr "Pertama tampilkan orbit yang ditempati" #~ msgid "Surface Type:" #~ msgstr "Tipe Permukaan:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Rendah" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Sedang" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Tinggi" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Sangat Tinggi" #~ msgid "Isosurface cutoff value" #~ msgstr "Angka potong Permukaan Iso" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Tipe Ditampilkan:" #~ msgid "New Display" #~ msgstr "Tampilan Baru" #~ msgid "Advanced..." #~ msgstr "Pengaturan Lanjut..." #~ msgid "Display visual cues" #~ msgstr "Tampilkan visual cues" #~ msgid "Python Settings" #~ msgstr "Setelan Python" #~ msgid "Z Matrix Editor" #~ msgstr "Penyunting Z Matrix" avogadrolibs-1.100.0/i18n/it.po000066400000000000000000012112171474375334400161030ustar00rootroot00000000000000# Italian translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Alessandro Mandelli , 2021. # Will Owy , 2021. # Ludovico Besana , 2021. # Giacomo , 2021. # J. Lavoie , 2021. # Alex B , 2022. # Marco Marchiò , 2023. # nicola zanna , 2023. # Eisuke Kawashima , 2024, 2025. # Giggino Bibitaro , 2024. # LibreTranslate , 2024. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-16 14:01+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Italian \n" "Language: it\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Processo Batch #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Nessun messaggio specificato." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "Lo script --print-options output deve essere un oggetto JSON al livello più " "alto. Received:\n" "%1" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "Nessuna stringa di errore" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Il file di riferimento '%1' non esiste." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "Errore nel popolamento del file %1: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "File '%1' non completo. Manca la stringa 'contents' o 'filePath'." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "%1 Generatore di input" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Continua" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Chiudi" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Sconosciuto" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "Non ci sono file di input da salvare!" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "Invia %1 calcolo" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Errore di output" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Impossibile scrivere sul file %1." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: il file verrà sovrascritto." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: il file non può essere scritto." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Nessun programma selezionato." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Nessuna molecola definita in BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Nessun Io::FileFormat impostato in BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Nessun nome file impostato in BackgroundFileFormat!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Idrogeno" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Elio" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Litio" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Berillio" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Boro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Carbonio" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Azoto" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Ossigeno" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluoro" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Sodio" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnesio" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Alluminio" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silicio" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fosforo" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Zolfo" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Cloro" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Potassio" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Calcio" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Scandio" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titanio" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadio" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Cromo" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Manganese" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Ferro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Cobalto" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nichel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Rame" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Zinco" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Gallio" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germanio" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsenico" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selenio" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Bromo" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Cripton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidio" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Stronzio" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Ittrio" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirconio" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niobio" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molibdeno" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Tecnezio" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Rutenio" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rodio" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Palladio" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Argento" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Cadmio" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indio" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Stagno" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimonio" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Tellurio" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Iodio" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Cesio" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Bario" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantanio" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cerio" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodimio" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodimio" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Promezio" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samario" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europio" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinio" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbio" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Disprosio" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Olmio" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbio" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Tulio" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Itterbio" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutezio" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Afnio" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantalio" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Tungsteno" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Renio" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmio" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridio" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platino" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Oro" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Mercurio" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Tallio" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Piombo" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bismuto" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonio" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astato" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Francio" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radio" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Attinio" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Torio" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protoattinio" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uranio" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Nettunio" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutonio" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Americio" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Curio" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berchelio" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Californio" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einstenio" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermio" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelevio" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelio" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Laurenzio" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherfordio" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnio" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgio" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Borio" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassio" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitnerio" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtio" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Roentgenio" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Copernicio" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihonio" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flerovio" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moscovio" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermorio" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tennesso" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "Esplora" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "Seleziona file:" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "Seleziona gli eseguibili:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Tutti I FIle" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Titolo" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "Base del nome del file" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "Core dei processori" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "Tipo di calcolo" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "Teoria" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Base" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 #, fuzzy msgid "[no molecule]" msgstr "[nessuna molecola]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Sfera e bastoncino" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Fumetto" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Momento di dipolo" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Forza" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Etichetta" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 #, fuzzy #| msgid "QTAIM" msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Wireframe" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "Senza titolo" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Tavola periodica" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "Errore di lettura." #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "Errore sconosciuto." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Aggiungi Atomo" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Rimuovi atomo" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Regola gli idrogeni" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Cambia Elemento" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Cambia Elemento" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Aggiungi legame" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 #, fuzzy msgid "Clear Bonds" msgstr "Elimina legame" #: qtgui/rwmolecule.cpp:335 #, fuzzy msgid "Set Bond Orders" msgstr "Ordine di legame" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Cambia l'ordine dei legami" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "Aggiorna legami" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 #, fuzzy msgid "Remove Unit Cell" msgstr "Rimuovi cellula dell'unità" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 #, fuzzy msgid "Wrap Atoms to Cell" msgstr "Lega gli atomi alla cellula" #: qtgui/rwmolecule.cpp:522 #, fuzzy msgid "Scale Cell Volume" msgstr "Scala il volume della cellula di unità" #: qtgui/rwmolecule.cpp:542 #, fuzzy msgid "Build Super Cell" msgstr "Super Cella" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "Ruota nell'orientamento standard" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 #, fuzzy msgid "Reduce to Primitive" msgstr "Riduci a Cella Primitiva" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 #, fuzzy msgid "Symmetrize Cell" msgstr "Simmetrizza la cella" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Riempi la Cella Unitaria" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 #, fuzzy #| msgid "Change selections" msgid "Change Selection" msgstr "Cambia selezioni" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 #, fuzzy #| msgid "&Settings" msgid "Settings" msgstr "Impostazioni" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&File" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "&Esporta" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Compila" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Elemento:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Allinea" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Asse:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Allinea le molecole a un asse cartesiano" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, fuzzy msgid "IO Error" msgstr "Errore" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "Errore durante la lettura del file di struttura (%1)." #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Errore" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "Successo" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "Per colore personalizzato…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "Elemento" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy #| msgid "Partial Charge" msgid "By Partial Charge…" msgstr "Per la Carica Parziale…" #: qtplugins/applycolors/applycolors.cpp:82 #, fuzzy msgid "By Secondary Structure" msgstr "Per struttura secondaria" #: qtplugins/applycolors/applycolors.cpp:87 #, fuzzy msgid "By Amino Acid" msgstr "Per Amminoacido" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 #, fuzzy #| msgid "Spectra" msgctxt "colormap" msgid "Spectral" msgstr "Spettri" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Visualizza" #: qtplugins/applycolors/applycolors.cpp:152 #, fuzzy msgid "Color Atoms" msgstr "Colori" #: qtplugins/applycolors/applycolors.cpp:154 #, fuzzy msgid "Color Residues" msgstr "Colore per Residuo" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "Opacità" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Mostrare i legami multipli" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 #, fuzzy msgid "Show hydrogens" msgstr "Mostrare l'idrogeno" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Visualizza gli atomi come sfere e i legami come cilindri." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Manipolazione basata sui legami" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Strumento di manipolazione incentrato sui legami." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "Percepire i legami" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Configura unione…" #: qtplugins/bonding/bonding.cpp:32 #, fuzzy #| msgid "Fix Selected Atoms" msgid "Bond Selected Atoms" msgstr "Fissa gli atomi selezionati" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "Legame" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 #, fuzzy msgid "Perceive bond orders." msgstr "Percepire i legami" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Backbone (Spina dorsale)" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Nastro" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Fumetto" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Fumetto" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Aggiungi il Centro di Massa" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "Distanza massima:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 #, fuzzy #| msgid "ColorOpacityMap" msgid "Edit Color Opacity Map…" msgstr "ColorOpacityMap" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Estensioni" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "ColorOpacityMap" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #, fuzzy msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Errore nel leggere il file di output '%1':\n" "%2" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "Script di comando" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 #, fuzzy #| msgid "Other" msgid "Other…" msgstr "Altre" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy #| msgid "Atomic &Coordinate Editor..." msgid "Atomic &Coordinate Editor…" msgstr "Editor atomico di &Coordinate…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "Cambia le coordinate" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Sovrascrivere cambiamenti?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Nome dell'elemento non valido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Nome elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Simbolo dell'elemento non valido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Simbolo dell'elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Indici Atomici" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Numero atomico non valido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Numero atomico." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Coordinate non valide." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "Coordinata X." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Coordinata Y." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Coordinata Z." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "Coordinata reticolare 'a'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "Coordinata reticolare 'b'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "Coordinata reticolare 'c'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Personalizzato" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Input Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "Copia" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "InChI" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "Taglia" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "Pulisci" #: qtplugins/copypaste/copypaste.cpp:35 #, fuzzy #| msgid "Paste" msgid "&Paste" msgstr "Incolla" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "&Modifica" #: qtplugins/copypaste/copypaste.cpp:81 #, fuzzy #| msgid "Copy" msgid "Copy As" msgstr "Copia come" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Formato di output: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Formato rilevato: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 #, fuzzy msgid "Molecular Dynamics" msgstr "Dinamiche molecolari" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "Ottimizzazione della Geometria" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 #, fuzzy msgid "Molecular Mechanics" msgstr "Meccanica molecolare" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "NESSUNO" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 #, fuzzy msgid "Conjugate Gradients" msgstr "Gradienti coniugati" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 #, fuzzy msgid "Steepest descent" msgstr "Massima pendenza" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy #| msgid "Import Crystal from Clipboard" msgid "Import Crystal from Clipboard…" msgstr "Importa il Cristallo dagli appunti…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy #| msgid "Edit Unit Cell..." msgid "Edit Unit Cell…" msgstr "Modifica cella unitaria…" #: qtplugins/crystal/crystal.cpp:57 #, fuzzy msgid "&Wrap Atoms to Unit Cell" msgstr "&Lega gli atomi alla cellula" #: qtplugins/crystal/crystal.cpp:63 #, fuzzy msgid "Rotate to Standard &Orientation" msgstr "Ruota nell'&orientamento standard" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy #| msgid "Scale Cell &Volume" msgid "Scale Cell &Volume…" msgstr "Scala Cella &Volume…" #: qtplugins/crystal/crystal.cpp:74 #, fuzzy msgid "Build &Supercell…" msgstr "&Super Cella" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Riduci la cellula (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "&Cristallo" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Rimuovi cellula dell'&unità" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Aggiungi cellula dell'&unità" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "Importa il Cristallo dagli appunti" #: qtplugins/crystal/crystal.cpp:175 #, fuzzy #| msgid "&Keep atoms in unit cell" msgid "Wrap atoms into the unit cell." msgstr "Mantieni gli atomi in una cellula unitaria." #: qtplugins/crystal/crystal.cpp:177 #, fuzzy #| msgid "Rotate to Standard Orientation" msgid "Rotate the unit cell to the standard orientation." msgstr "Ruota nell'orientamento standard" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 #, fuzzy msgid "The unit cell is already reduced." msgstr "Questa cellula di unità è già riprodotta." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Cristallo" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Rendi i confini delle celle unitarie." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Non è possibile analizzare il testo" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Disegna" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Disegna Atomo" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Distanza:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Singolo" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Doppio" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Triplo" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "&Importa" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Preleva da PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Struttura chimica da scaricare." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Download dalla Rete Fallito" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Timeout di rete o altro errore." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "La molecola specificata non è stata trovata: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Preleva da PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 #, fuzzy msgid "Optimize Geometry" msgstr "Ottimizza la geometria" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy #| msgid "Configure Bonding…" msgid "Configure…" msgstr "Configura…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy #| msgid "Import Selected Atoms" msgid "Freeze Selected Atoms" msgstr "Fissa gli atomi selezionati" #: qtplugins/forcefield/forcefield.cpp:115 #, fuzzy #| msgid "Fix Selected Atoms" msgid "Unfreeze Selected Atoms" msgstr "Fissa gli atomi selezionati" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "&Calcola" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "%1 Energia = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield optimization" msgstr "Ottimizzazione del campo di forze" #: qtplugins/forcefield/forcefield.h:50 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" msgstr "Ottimizzazione del campo di forze" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "&GAMESS" msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Input GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "Energia del punto singolo" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Geometria di Equilibrio" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Stato di Transizione" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Frequenze" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Potenziale core" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Acqua" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Singoletto" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Doppietto" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Tripletto" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Dicatione" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Catione" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neutro" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anione" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianione" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Regola gli idrogeni" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Aggiungi idrogeni" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Rimuovi idrogeni" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "Idrogeni" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Idrogeni" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 #, fuzzy #| msgid "DNA/RNA..." msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Inserisci" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy #| msgid "Insert DNA/RNA" msgid "Insert DNA/RNA…" msgstr "Inserisci DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "Uracile" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "Timina" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 #, fuzzy #| msgid "Insert Molecule..." msgid "Insert Molecule…" msgstr "Inserisci molecola…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy #| msgid "Insert DNA" msgid "InsertDNA" msgstr "Inserisci DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "Molecola…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy #| msgid "Crystal" msgid "Crystal…" msgstr "Cristallo…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "Importa cristallo" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Inserisci Frammento" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Inserisci Frammento" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Inserisci frammenti molecolari per costruire molecole più grandi." #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "Colore" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Nessuno" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "ID Univoco" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Elemento" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 #, fuzzy msgid "Atom Label:" msgstr "Etichette atomo:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 #, fuzzy #| msgid "&LAMMPS..." msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Desideri aggiornare il testo di anteprima, perdendo tutti i cambiamenti " "fatti nel pannello del file di input Lammps?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Opacità:" #: qtplugins/licorice/licorice.h:36 #, fuzzy msgid "Render atoms as licorice / sticks." msgstr "Rendi gli atomi come liquirizia." #: qtplugins/lineformatinput/lineformatinput.cpp:31 #, fuzzy #| msgid "SMILES" msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 #, fuzzy #| msgid "InChI" msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "Nessuna descrizione trovata!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipola" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Misura" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Diedrico:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Angolo:" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "Angolo:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(in attesa)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 #, fuzzy msgid "&Analysis" msgstr "&Analitico" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Proprietà" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Proprietà Molecolari" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Proprietà della molecola" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 #, fuzzy #| msgid "&Export" msgid "Export CSV" msgstr "Esporta CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 #, fuzzy #| msgid "WFN files (*.wfn);;All files (*.*)" msgid "CSV Files (*.csv);;All Files (*)" msgstr "File CSV (*.csv);;Tutti i file (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 #, fuzzy #| msgid "Could not open file '%1' for writing." msgid "Could not open the file for writing." msgstr "Non è stato possibile aprire il file '%1' in scrittura" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy #| msgid "&Export" msgid "Export…" msgstr "Esporta…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Naviga" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Strumento di navigazione" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Nome chimico" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 #, fuzzy msgid "Configure Force Field…" msgstr "Definisci il campo di forza…" #: qtplugins/openbabel/openbabel.cpp:59 #, fuzzy #| msgid "Conformer Search" msgid "Conformer Search…" msgstr "Ricerca Conformeri…" #: qtplugins/openbabel/openbabel.cpp:65 #, fuzzy msgid "Perceive Bonds" msgstr "Percepire i legami" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Aggiungi idrogeni per il pH…" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "Rimuovi idrogeni" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Ottimizza la geometria (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Il numero di atomi nell'output di obabel (%1) non corrisponde al numero di " "atomi nella molecola originale (%2)." #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Aggiungi idrogeni (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "Generando l'input Open Babel…" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "Errore nel generare l'input Open Babel." #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, fuzzy, qt-format #| msgid "Running %1..." msgid "Running %1…" msgstr "Esecuzione di %1…" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "Aggiungi idrogeni per il pH" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 #, fuzzy #| msgid "Error generating Open Babel input." msgid "Generating obabel input…" msgstr "Generando l'input obabel…" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Rimuovi idrogeni (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 #, fuzzy #| msgid "Error generating Open Babel input." msgid "Error generating Open Babel data." msgstr "Errore nel generare l'input Open Babel." #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Desideri aggiornare il testo di anteprima, perdendo tutti i cambiamenti " "fatti nel pannello del file di input OpenMM?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Ferma" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "Legame dinamico?" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "Esporta la grafica vettoriale" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "File video (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "Impossibile salvare il file %1." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 #, fuzzy #| msgid "Plot Pair Distribution Function..." msgid "Plot Pair Distribution Function…" msgstr "Funzione di distribuzione delle coppie di grafici…" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "Messaggio di errore: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "Errore: " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 #, fuzzy msgid "Save File" msgstr "Salva File" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 #, fuzzy #| msgid "Render the scene using VRML." msgid "Render the scene using PLY." msgstr "Renderizzare la scena usando PLY." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Valence" #: qtplugins/propertytables/propertymodel.cpp:503 #, fuzzy msgid "Formal Charge" msgstr "Carica formale" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "Colore" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Atomo" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Tipo" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "Atomo Iniziale" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Atomo terminale" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Ordine dei legami" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Lunghezza (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Atomo 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Vertica" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Atomo 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Angolo (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Atomo 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Atomo 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "Elica" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "Elica" #: qtplugins/propertytables/propertymodel.cpp:939 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "Foglio" #: qtplugins/propertytables/propertymodel.cpp:941 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Elica 3-10" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "Proprietà dell'Atomo…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "Proprietà del legame…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Proprietà dell'Angolo…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy #| msgid "Torsion Properties" msgid "Torsion Properties…" msgstr "Proprietà di torsione…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" "Finestre per la visualizzazione dell'atomo, del legame, dell'angolo e delle " "proprietà di torsione." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Proprietà" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Proprietà dell'Atomo" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Proprietà del legame" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Proprietà dell'Angolo" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Proprietà di torsione" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Proprietà del conformero" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 #, fuzzy #| msgid "Atomic Charge..." msgid "Atomic Charge…" msgstr "Carica Atomica…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Apri file WFN" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "File WFN (*.wfn);;Tutti i file (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Estensione QTAIM" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "Centra" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "Ripristina" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Seleziona tutto" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Seleziona Niente" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 #, fuzzy msgid "Select by Atom Index…" msgstr "Indici Atomici" #: qtplugins/select/select.cpp:63 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Residue…" msgstr "Seleziona per residuo…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Cambia selezioni" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Seleziona" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" msgstr "Seleziona residuo" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "Seleziona" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Selezione" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 #, fuzzy msgid "Perceive Space Group…" msgstr "Percepisci il gruppo di spazio" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Riempi la Cella Unitaria…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 #, fuzzy #| msgid "Set Tolerance" msgid "Set Tolerance…" msgstr "Imposta tolleranza…" #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "Space Group" msgstr "Gruppo di spazio" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "Internazionale" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:385 #, fuzzy msgid "Select Space Group" msgstr "Imposta il gruppo di spazio" #: qtplugins/spacegroup/spacegroup.h:24 #, fuzzy msgid "SpaceGroup" msgstr "Gruppo di spazio" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgid "Spectra" msgid "Spectra" msgstr "Spettri" #: qtplugins/spectra/spectra.h:38 #, fuzzy #| msgid "Display spectra and vibrational modes." msgid "Display spectra plots." msgstr "Visualizza gli spettri." #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "Infrarosso" #: qtplugins/spectra/spectradialog.cpp:440 #, fuzzy #| msgctxt "Raman spectrum" #| msgid "Raman" msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 #, fuzzy #| msgid "electron" msgid "Electronic" msgstr "elettrone" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 #, fuzzy #| msgid "&Density Of States Settings" msgid "Density of States" msgstr "Densità degli Stati" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Seleziona il colore di sfondo" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Seleziona il colore di primo piano" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "Seleziona il colore degli spettri calcolati" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "Seleziona il colore degli spettri importati" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 #, fuzzy #| msgid "Wavenumber (cm-1)" msgid "Wavenumbers (cm⁻¹)" msgstr "Numero d'onda (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 #, fuzzy #| msgid "Intensities" msgid "Intensity" msgstr "Intensità" #: qtplugins/spectra/spectradialog.cpp:613 #, fuzzy #| msgid "Spectra" msgid "NMR Spectra" msgstr "Spettri NMR" #: qtplugins/spectra/spectradialog.cpp:614 #, fuzzy #| msgid "Shift (ppm)" msgid "Chemical Shift (ppm)" msgstr "Shift (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Energia (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Orbitale" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Simmetria" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Stato" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Orbitale Molecolare" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Densità elettronica" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Create Surfaces" msgid "Create Surfaces…" msgstr "Crea superfici…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 #, fuzzy msgid "Render a molecular orbital." msgstr "Renderizza Orbitale Molecolare" #: qtplugins/surfaces/surfaces.cpp:122 #, fuzzy msgid "Render the electron density." msgstr "Renderizza la densità elettronica" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 #, fuzzy msgid "Calculating electron density" msgstr "Sto calcolando la densità elettronica" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Calcolo dell'orbitale molecolare %L1" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Superfici" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 #, fuzzy #| msgid "Symmetry" msgid "Symmetry…" msgstr "Simmetria…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "Gruppo %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 #, fuzzy #| msgid "Vibrational modes..." msgid "Vibrational Modes…" msgstr "Modalità vibrazionali…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "Vibrazione" #: qtplugins/vibrations/vibrations.h:37 #, fuzzy #| msgid "Display spectra and vibrational modes." msgid "Display vibrational modes." msgstr "Visualizza le modalità vibrazionali." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Renderizzare la scena usando VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Renderizza la molecola come un wireframe." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, fuzzy, qt-format #| msgid "G03 failed to start." msgid "Error: %1 failed to start" msgstr "L'esecuzione di %1 è fallita" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dialogo" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Modulo" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #, fuzzy #| msgid "Submit Calculation..." msgid "Submit Calculation…" msgstr "Invia calcolo…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Elimina i file remoti al termine:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "Inserisci Frammento…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filtro:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Digitare un nome o una parte del nome per visualizzare solo i file " "corrispondenti." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Inserisci" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Campo di forza:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Riuscito!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Carica file struttura" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Caricare il file del cubo" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial Charge" msgid "Partial Charges" msgstr "Carica Parziale" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Distanza minima:" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "Rendering del volume" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "Isovalue" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Editor delle coordinate" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Impostazioni Predefinite:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Unità di distanza:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formato:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Incolla" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Applica" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Ripristina tutto" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Valori predefiniti" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Salva File…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "Impostazioni &base" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Titolo:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Calcola:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Metodo:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Funzionale" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opzioni della supercellula" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Ripeti A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Ripeti B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Ripeti C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Matrice cellulare:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Applica" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Scala il volume della cellula di unità" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Fattore di scala:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "EtichettaDiTesto" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Ordine dei legami:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Criteri di convergenza" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy #| msgid "\"Energy\" convergence:" msgid "Energy convergence:" msgstr "Convergenza energetica:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Limite passo:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " unità" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " passi" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Metodo di ottimizzazione" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Input GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "In:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Molteplicità:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Con:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Carica:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nome" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Inserisci acidi nucleici" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Acidi nucleici:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Citosina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy #| msgid "G" msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy #| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Sequenza:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other" msgid "Other" msgstr "Altre" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Singolo" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Doppio" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Unità:" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "reale" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metallo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elettrone" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "angolo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomico" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "legame" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "carica" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "intero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "linea" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molecolare" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "sfera" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Insieme" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperatura" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensioni" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "fm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Usa Form" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "&Translate " msgid "Translate by:" msgstr "Trasforma" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) #, fuzzy #| msgid "Origin:" msgid "Origin" msgstr "Origine" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Ricerca Conformeri" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Metodo" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Number of conformers" msgid "Number of conformers:" msgstr "Numero di conformeri:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Ricerca sistematica dei rotori" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Ricerca casuale dei rotori" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Ricerca pesata dei rotori" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) #, fuzzy #| msgid "Genetic Algorithm Search" msgid "Genetic algorithm search" msgstr "Ricerca dell'algoritmo genetico" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Opzioni dell'algoritmo genetico" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy #| msgid "Children" msgid "Children:" msgstr "Bambini:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Mutability" msgid "Mutability:" msgstr "Mutabilità:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy #| msgid "\"Energy\" convergence:" msgid "Convergence:" msgstr "Convergenza:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "RMSD" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Massima pendenza" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "Å" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "Convergenza \"energetica\":" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Campo di forza:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Riferimento" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Singolo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Doppio" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Vincoli:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr " fs" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Temperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Energia totale" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Lunghezza d'onda:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Raggio del punto critico:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Raggio del percorso del legame:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalente" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Dimensione costante" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy #| msgid "&Scaling Factor:" msgid "Scale Factor:" msgstr "Fattore di scala:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Width:" msgid "Peak Width:" msgstr "Larghezza:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) #, fuzzy #| msgid "Threshold:" msgid "Peak Threshold:" msgstr "Soglia:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Aspetto" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Mostra" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Importa..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Imposta il colore..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Spettri importati:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Esporta..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Sfondo:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Export Calculated Spectrum" msgid "Calculated Spectra:" msgstr "Spettro calcolato:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy #| msgid "10e-" msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Esporta i dati" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Chiudi" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "&Carica dati..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Qualità: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Basso" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Medio" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Alto" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Molto alto" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Crea superfici" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Colori per:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy #| msgctxt "Electrostatic potential surface type" #| msgid "Electrostatic Potential" msgid "Electrostatic Potential" msgstr "Potenziale elettrostatico" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Risoluzione:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Valore dell'isosuperficie:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " K" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Chiaro" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calcola" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molecola" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) #, fuzzy #| msgid "Center" msgid "Centers" msgstr "Centra" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) #, fuzzy msgid "Formal Charge:" msgstr "Carica formale:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "1: Linear" msgstr "1: Lineare" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "2: Linear" msgstr "2: Lineare" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "Tipo:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) #, fuzzy #| msgid "Import Crystal from Clipboard" msgid "From Clipboard" msgstr "dagli appunti" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy #| msgid "Group %1" msgid "Groups" msgstr "Gruppi" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Group %1" msgid "Group:" msgstr "Gruppo:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Ampiezza:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #, fuzzy msgid "Start Animation" msgstr "Avvia Animazione" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) #, fuzzy msgid "Stop Animation" msgstr "Ferma Animazione" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr " .eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,94thomas,Daniele Baitieri,Guybrush88,Luca Brivio," "Matteo Ferrabone,MeltingShell,Michele Gatti,Nikopol,Paolo Naldini,Paolo " "Signifredi,Sergio Zanchetta,Simone Oberti,mackos,nicola de mitri, ,Launchpad " "Contributions:,94thomas,Daniele Baitieri,Guybrush88,Luca Brivio,Matteo " "Ferrabone,MeltingShell,Michele Gatti,Nikopol,Paolo Naldini,Paolo Signifredi," "Sergio Zanchetta,Simone Oberti,mackos,nicola de mitri, ,Launchpad " "Contributions:,94thomas, ,Launchpad Contributions:,94thomas,Michele Gatti," "dicairo, ,Launchpad Contributions:,94thomas,Geoff Hutchison,Matteo Ferrabone," "Michele Gatti,Vincenzo vikkio88 Ciaccio,dicairo, ,Launchpad " "Contributions:,94thomas,Geoff Hutchison,Matteo Ferrabone,Michele Gatti," "Vincenzo vikkio88 Ciaccio,dicairo,gabriele.lanaro, ,Launchpad " "Contributions:,94thomas,Geoff Hutchison,Matteo Ferrabone,Michele Gatti," "Vincenzo vikkio88 Ciaccio,dicairo,gabriele.lanaro, ,Launchpad " "Contributions:,94thomas,Geoff Hutchison,Matteo Ferrabone,Michele Gatti," "Vincenzo vikkio88 Ciaccio,dicairo,gabriele.lanaro,marco lucato,yurop, ," "Launchpad Contributions:,94thomas,Avogadro Team,Geoff Hutchison,Matteo " "Ferrabone,Michele Gatti,Raffaele Mancuso,Vincenzo vikkio88 Ciaccio,dicairo," "gabriele.lanaro,marco lucato,simone.sandri,yurop, ,Launchpad " "Contributions:,94thomas,Avogadro Team,Geoff Hutchison,Matteo Ferrabone," "Michele Gatti,Raffaele Mancuso,Vincenzo vikkio88 Ciaccio,dicairo,gabriele." "lanaro,marco lucato,simone.sandri,yurop, ,Launchpad Contributions:,94thomas," "Avogadro Team,Geoff Hutchison,Guybrush88,Matteo Ferrabone,Michele Gatti," "Raffaele Mancuso,Vincenzo vikkio88 Ciaccio,dicairo,fasix,gabriele.lanaro," "marco lucato,simone.sandri,yurop, ,Launchpad Contributions:,94thomas," "Avogadro Team,Daniele,Enrico \"eNry\" Carafa,Geoff Hutchison,Guybrush88," "Matteo \"Bianco\",Matteo Ferrabone,Michele Gatti,Raffaele Mancuso,Vincenzo " "vikkio88 Ciaccio,Wonderfulheart,carlo micheli,dicairo,fasix,gabriele.lanaro," "marco lucato,simone.sandri,yurop, ,Launchpad Contributions:,94thomas," "Avogadro Team,Daniele,Enrico \"eNry\" Carafa,Geoff Hutchison,Guybrush88," "Matteo \"Bianco\",Matteo Ferrabone,Michele Gatti,Raffaele Mancuso,Vincenzo " "vikkio88 Ciaccio,Vito Fasano,Wonderfulheart,carlo micheli,dicairo,gabriele." "lanaro,marco lucato,simone.sandri,yurop, ,Launchpad Contributions:,94thomas," "Avogadro Team,Daniele,Enrico \"eNry\" Carafa,Geoff Hutchison,Guybrush88," "Matteo \"Bianco\",Matteo Ferrabone,Michele Gatti,Ra,Vincenzo vikkio88 " "Ciaccio,Vito Fasano,Wonderfulheart,carlo micheli,dicairo,gabriele.lanaro," "marco lucato,simone.sandri,yurop" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,Thomas.Bellotti@liceotosi.org,,,lucab83@infinito.it,,,michel_gatti@yahoo." "it,aegnor_isilra@hotmail.com,hattory@ubuntu.com,,primes2h@gmail.com,,,,,," "Thomas.Bellotti@liceotosi.org,,,lucab83@infinito.it,,,michel_gatti@yahoo.it," "aegnor_isilra@hotmail.com,hattory@ubuntu.com,,primes2h@gmail.com,,,,,,Thomas." "Bellotti@liceotosi.org,,,lucab83@infinito.it,,,michel_gatti@yahoo.it," "aegnor_isilra@hotmail.com,hattory@ubuntu.com,,primes2h@gmail.com,,,,,," "gino@alkatron.it,,,,,michel_gatti@yahoo.it,aegnor_isilra@hotmail.com,,,,," "Thomas.Bellotti@liceotosi.org,gino@alkatron.it,,,,lucab83@infinito.it,,," "michel_gatti@yahoo.it,aegnor_isilra@hotmail.com,hattory@ubuntu.com,,,,,," "Thomas.Bellotti@liceotosi.org,alkatron@alkatron.it,,,,,,lucab83@infinito." "it,,,michel_gatti@yahoo.it,aegnor_isilra@hotmail.com,hattory@ubuntu." "com,,,,,,,,,Thomas.Bellotti@liceotosi.org,alkatron@alkatron.it,,avogadro-" "devel@lists.sourceforge.net,,,,,lucab83@infinito.it,,,michel_gatti@yahoo.it," "aegnor_isilra@hotmail.com,hattory@ubuntu.com,,,,,,,,,,Thomas." "Bellotti@liceotosi.org,alkatron@alkatron.it,,avogadro-devel@lists." "sourceforge.net,,,,,lucab83@infinito.it,,,michel_gatti@yahoo.it," "aegnor_isilra@hotmail.com,hattory@ubuntu.com,,,,,,,,,,Thomas." "Bellotti@liceotosi.org,alkatron@alkatron.it,,avogadro-devel@lists." "sourceforge.net,,,,,,lucab83@infinito.it,,,,michel_gatti@yahoo.it," "aegnor_isilra@hotmail.com,hattory@ubuntu.com,,,,,,,,,Thomas." "Bellotti@liceotosi.org,alkatron@alkatron.it,,avogadro-devel@lists." "sourceforge.net,kbonasia@gmail.com,,,,,lucab83@infinito.it,,,,," "michel_gatti@yahoo.it,aegnor_isilra@hotmail.com,hattory@ubuntu.com,,,,,,,,," "Thomas.Bellotti@liceotosi.org,alkatron@alkatron.it,,avogadro-devel@lists." "sourceforge.net,kbonasia@gmail.com,,,,,lucab83@infinito.it,,,,," "michel_gatti@yahoo.it,aegnor_isilra@hotmail.com,hattory@ubuntu.com,,," "primes2h@ubuntu.com,,,,vito.fasano@gmail.com,,,,Thomas.Bellotti@liceotosi." "org,alkatron@alkatron.it,,avogadro-devel@lists.sourceforge.net," "davide-98@live.com,giampaolo.bozzali@gmail.com,,,,,,,michel_gatti@yahoo.it," "aegnor_isilra@hotmail.com,hattory@ubuntu.com,,primes2h@ubuntu.com," "mcarlo.95@gmail.com,vito.fasano@gmail.com,,,lexluxsox@hotmail.it,,,Thomas." "Bellotti@liceotosi.org,alberto.zanoni@tiscali.it,alkatron@alkatron.it,," "avogadro-devel@lists.sourceforge.net,davide-98@live.com,giampaolo." "bozzali@gmail.com,,,,,,,michel_gatti@yahoo.it,aegnor_isilra@hotmail.com," "hattory@ubuntu.com,,primes2h@ubuntu.com,mcarlo.95@gmail.com,vito." "fasano@gmail.com,,,lexluxsox@hotmail.it,,,Thomas.Bellotti@liceotosi.org," "alberto.zanoni@tiscali.it,alkatron@alkatron.it,,avogadro-devel@lists." "sourceforge.net,davide-98@live.com,giampaolo.bozzali@gmail.com,,,,,,," "michel_gatti@yahoo.it,aegnor_isilra@hotmail.com,hattory@ubuntu.com,," "primes2h@ubuntu.com,vito.fasano@gmail.com,mcarlo.95@gmail.com,,," "lexluxsox@hotmail.it" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #, fuzzy #~ msgid "eV)" #~ msgstr "eV" #~ msgid "Partial Charge" #~ msgstr "Carica Parziale" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animazione" #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals" #, fuzzy #~ msgid "Geometry" #~ msgstr "&Ottimizza la geometria" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Aggiungi cellula dell'&unità" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Indici Atomici" #, fuzzy #~ msgid "By Distance" #~ msgstr "Distanza:" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Indici Atomici" #, fuzzy #~| msgid "Copy" #~ msgid "&Copy" #~ msgstr "Copia" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "Nome della molecola IUPAC:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Peso molecolare (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Formula chimica:" #~ msgid "Number of Atoms:" #~ msgstr "Numero di atomi:" #~ msgid "Number of Bonds:" #~ msgstr "Numero di legami:" #~ msgid "TODO" #~ msgstr "DA FARE" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Dimensione Salto:" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "Ottimizzazione" #, fuzzy #~ msgid "In." #~ msgstr "In:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Frammento..." #, fuzzy #~| msgid "Functional" #~ msgid "Functional Groups" #~ msgstr "Funzionale" #~ msgid "Submit Calculation..." #~ msgstr "Invia calcolo..." #~ msgid "Other..." #~ msgstr "Altro..." #~ msgid "Filename" #~ msgstr "Nome del file" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Carica file struttura" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Naviga" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Naviga" #~ msgid "OK" #~ msgstr "OK" #~ msgid "Cancel" #~ msgstr "Annulla" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Nome elemento." #~ msgid "'c' coordinate." #~ msgstr "Coordinata 'c'." #~ msgid "All files (*);;" #~ msgstr "Tutti i file(*);;" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Romboidale" #, fuzzy #~| msgid "Insert Molecule..." #~ msgid "Insert Molecule..." #~ msgstr "Inserisci molecola..." #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Nessuna molecola impostata" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Cristallo..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Aggiungi idrogeni per il pH..." #~ msgid "Atom Properties..." #~ msgstr "Proprietà Atomo..." #~ msgid "Bond Properties..." #~ msgstr "Proprietà del legame..." #~ msgid "Angle Properties..." #~ msgstr "Proprietà dell'Angolo..." #~ msgid "Torsion Properties..." #~ msgstr "Proprietà Torsioni..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Proprietà della molecola..." #~ msgid "Create Surfaces..." #~ msgstr "Crea superfici..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Simmetria" #~ msgid "Insert Fragment..." #~ msgstr "Inserisci Frammento..." #~ msgid "Theory:" #~ msgstr "Teoria:" #~ msgid "Distance: %L1 Å" #~ msgstr "Distanza: %L1 Å" #~ msgid "Rotatable" #~ msgstr "Ruotabile" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Conformero %1\n" #~ "Lunghezza %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Conformero %1\n" #~ "Angolo %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angolo %1" #~ msgid "Angle" #~ msgstr "Angolo" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Conformero %1\n" #~ "Torsione %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsione %1" #~ msgid "Torsion" #~ msgstr "Torsione" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energia (kJ/mol)" #~ msgid "Yes" #~ msgstr "Sì" #~ msgid "No" #~ msgstr "No" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Generatore di input" #, fuzzy #~ msgid "Import" #~ msgstr "Importa" #~ msgid "Insert SMILES" #~ msgstr "Inserire SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Inserisci un frammento SMILES:" #~ msgid "Insert Crystal" #~ msgstr "Inserisci un cristallo" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Inserisci frammenti molecolari per costruire molecole più grandi" #~ msgid "E&xtensions" #~ msgstr "E&stensioni" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Ottimizza la geometria" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Ottimizzazione geometrica" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Aggiungi idrogeni" #, fuzzy #~ msgid "Stopped" #~ msgstr "Ferma" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Superfici" #~ msgid "Color by Index" #~ msgstr "Colore per Indice" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Colore per Indice (rossi, arancione, giallo, verde, blu, viola)" #~ msgid "Color by Partial Charge" #~ msgstr "Colore per Carica parziale" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Colora per carica atomica parziale (blu = positivo, rosso = negativo)." #~ msgid "Custom Color:" #~ msgstr "Colore personalizzato:" #~ msgid "Set custom colors for objects" #~ msgstr "Imposta colori personalizzati per gli oggetti" #~ msgid "Color by Distance" #~ msgstr "Colore per Distanza" #~ msgid "Color by distance from the first atom." #~ msgstr "Colore per Distanza dal primo atomo" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Colore per Elemento (carbonio=grigio, ossigeno=rosso, ...)" #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Colore per Residuo (tipo amminoacido, idrofobicità,..)" #~ msgid "SMARTS Pattern:" #~ msgstr "Schema SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Colore di evidenziazione:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Colore per Schema SMART" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "" #~ "Evidenzia caratteristiche particolari che corrispondono a uno schema " #~ "SMARTS" #~ msgid "Ununtrium" #~ msgstr "Ununtrio" #~ msgid "Ununpentium" #~ msgstr "Ununpentio" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Motori" #~ msgid "Axes" #~ msgstr "Assi" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Visualizza gli assi x, y, e z dall'origine" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Visualizza primitivi con sfere (atomi) e righe (legami)" #~ msgid "Hydrogen Bond" #~ msgstr "Legame idrogeno" #~ msgid "Renders hydrogen bonds" #~ msgstr "Mostra legami idrogeno" #~ msgid "Select Atom Labels Color" #~ msgstr "Seleziona il colore per le etichette degli atomi" #~ msgid "Select Bond Labels Color" #~ msgstr "Seleziona il colore per le etichette dei legami" #~ msgid "Select Bond Labels Font" #~ msgstr "Seleziona il carattere per i legami" #~ msgid "Polygon" #~ msgstr "Poligono" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Visualizza gli atomi come tetraedri, ottaedri, e altri poligoni" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Renderizza le catene di proteine come fiocchi" #~ msgid "Ring" #~ msgstr "Anello" #~ msgid "Renders rings with colored planes" #~ msgstr "Renderizza anelli con aereoplani colorati" #~ msgid "Simple Wireframe" #~ msgstr "Wireframe semplice" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "" #~ "Disegna i legami come cavi (linee), ideale per molecole di grandi " #~ "dimensioni" #~ msgid "Van der Waals Spheres" #~ msgstr "Sfere di Van der Waals" #~ msgid "Stick" #~ msgstr "Bastoni" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Densità elettronica, isosuperficie = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosuperficie = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Disegna i legami come cavi (linee), ideale per (bio)molecole di grandi " #~ "dimensioni" #~ msgid "Trajectory files" #~ msgstr "File traiettoria" #~ msgid "DL-POLY HISTORY files" #~ msgstr "File DL-POLY HISTORY" #~ msgid "Open Trajectory File" #~ msgstr "Apri file traiettoria" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Aggiunta dell'estensione .avi" #~ msgid "Animation..." #~ msgstr "Animazione..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Impossibile leggere il formato del file %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Lettura della traiettoria del file %1 fallita." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Deve essere specificato un file con estensione .avi valido" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "Il widget GL non è stato correttamente inizializzato per permettere il " #~ "salvataggio del video" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Nome del file video non valido. Necessario includere il percorso intero" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Nome del file video non valido. Necessario includere il percorso intero " #~ "ed il nome, con estensione .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Non è stato possibile determinare il formato dal nome del file: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Anima traiettorie, reazioni e vibrazioni" #~ msgid "Cartesian Editor" #~ msgstr "Editor cartesiano" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Nessuna cellula definita per la molecola -- non è possibile utilizzare le " #~ "coordinate frazionali." #~ msgid "Cartesian Editor..." #~ msgstr "Editor cartesiano..." #~ msgid "Cartesian editor" #~ msgstr "Editor cartesiano" #~ msgid "Number of atoms: %1" #~ msgstr "Numeri di atomi: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Numero di legami ruotabili: %1" #~ msgid "Add constraint" #~ msgstr "Aggiungi vincolo" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "La molecola deve contenere almeno un atomo per poter aggiungere un vincolo" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "La molecola deve contenere almeno due atomi per poter aggiungere un " #~ "vincolo di legame" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "La molecola deve contenere almeno tre atomi per poter aggiungere un " #~ "vincolo angolare" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "La molecola deve contenere almeno quattro atomi per poter aggiungere un " #~ "vincolo torsionale" #~ msgid "&Crystallography" #~ msgstr "&Cristallografia" #~ msgid "&Reduce" #~ msgstr "&Riduci" #~ msgid "&Length Unit" #~ msgstr "Unità di &lunghezza" #~ msgid "&Angle Unit" #~ msgstr "Unità di &angolo" #~ msgid "Coordinate &Preservation" #~ msgstr "&Preservazione delle coordinate" #~ msgid "&Matrix Display" #~ msgstr "Visualizzazione della &Matrice" #~ msgid "Hide &Editors" #~ msgstr "Nascondi &redattori" #~ msgid "Show &Editors" #~ msgstr "Mostra &redattori" #~ msgid "Hide &Property Display" #~ msgstr "Nascondi la visualizzazione delle &proprietà" #~ msgid "Show &Property Display" #~ msgstr "Mostra la visualizzazione delle &proprietà" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Tipo di reticolo: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Gruppo di spazio: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Volume della cellula dell'unità: %L1%2" #~ msgid "Undefined" #~ msgstr "Non definito" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triclino" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoclinico" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ortorombico" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonale" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Esagonale" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Cubico" #~ msgid "Paste Crystal" #~ msgstr "Incolla Cristallo" #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Stop.Riduzione della cella fallita dopo 1000 iterazioni dell'algoritmo di " #~ "riduzione." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Ruota nell'&orientamento standard" #~ msgid "Perceive Space&group..." #~ msgstr "Percepisci &gruppo di spazio..." #~ msgid "Set &Spacegroup..." #~ msgstr "Imposta gruppo di %spazio..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Riempi la cellula dell'unità" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Riempire l' unità di cella usando lo spcegroup corrente" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "" #~ "Rimuovi gli atomi nelle posizioni equivalenti (inverso di \"Riempi la " #~ "Cella Unitaria\")" #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Si&mmetrizza cristallo" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Riduci cellula (&primitiva)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometero" #~ msgid "&Picometer" #~ msgstr "&Picometero" #~ msgid "&Degree" #~ msgstr "&Grado" #~ msgid "&Radian" #~ msgstr "&Radiante" #~ msgid "Display &cartesian coordinates" #~ msgstr "Mostra coordinate &cartesiane" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Mantieni le coordinate cartesiane durante le modifiche alla cella" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Mantieni le coordinate frazionali durante le modifiche alla cella" #~ msgid "Display &cartesian matrix" #~ msgstr "Mostra la matrice &cartesiana" #~ msgid "Display &fractional matrix" #~ msgstr "Mostra la matrice &frazionale" #~ msgid "Display as &row vectors" #~ msgstr "Mostra come vettori &riga" #~ msgid "Display as &column vectors" #~ msgstr "Mostra come vettori &colonna" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Non c'è un gruppo di spazio impostato per questo documento.\n" #~ "\n" #~ "Vuoi impostare un gruppo di spazio ora?" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Avvolgi gli atomi alla cellula" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Riduci alla cellula di Niggli" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Seleziona la tolleranza nelle unità cartesiane correnti:" #~ msgid "Crystallography" #~ msgstr "Cristallografia" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Costruisci e analizza le strutture periodiche." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "L'input non è formattato come uno dei\n" #~ "seguenti formati supportati:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "Formato VASP\n" #~ msgid "Bad Compostion" #~ msgstr "Composizione Sbagliata" #~ msgid "Cartesian Coordinates" #~ msgstr "Coordinate cartesiane" #~ msgid "Fractional Coordinates" #~ msgstr "Coordinate frazionali" #~ msgid "Set Fractional Coordinates" #~ msgstr "Imposta le coordinate frazionali" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Matrice della cellula (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Imposta la matrice della cellula di unità" #~ msgid "Set Unit Cell Params" #~ msgstr "Imposta i parametri della cellula di unità" #~ msgid "Working..." #~ msgstr "In esecuzione..." #~ msgid "Build" #~ msgstr "Genera" #~ msgid "No GLWidget?" #~ msgstr "Nessun GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Per piacere seleziona uno o più atomi." #~ msgid "Trajectory..." #~ msgstr "Traiettoria..." #~ msgid "Open chemical file format" #~ msgstr "Apri il formato chimico dei file" #~ msgid "Chemical files (*.xyz)" #~ msgstr "File chimici (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Apri il file dei parametri" #~ msgid "Chemical files (*.parm7)" #~ msgstr "File chimici (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importa traiettoria" #~ msgid "Import trajectory files" #~ msgstr "Importa file traiettoria" #~ msgid "Calculate Energy" #~ msgstr "Calcola Energia" #~ msgid "Conformer Search..." #~ msgstr "Ricerca Conformeri..." #~ msgid "Constraints..." #~ msgstr "Vincoli..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Non è possibile impostare il \"Campo di Forza\" appena selezionato per " #~ "questa molecola. Passo ad UFF (Campo di Forza Unitario)" #~ msgid "Geometric Optimization" #~ msgstr "Ottimizzazione geometrica" #~ msgid "Systematic Rotor Search" #~ msgstr "Ricerca sistematica dei rotori" #~ msgid "Random Rotor Search" #~ msgstr "Ricerca casuale dei rotori" #~ msgid "Weighted Rotor Search" #~ msgstr "Ricerca pesata dei rotori" #~ msgid "ForceField" #~ msgstr "Campo di forze" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Ottimizza le molecola e genera conformazioni utilizzando campi meccanici " #~ "di forza" #~ msgid "&Vector Graphics..." #~ msgstr "&Grafiche vettoriali" #~ msgid "Common vector image formats" #~ msgstr "Formati comuni per immagini vettoriali" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Esportazione della grafica vettoriale" #~ msgid "Change H to Methyl" #~ msgstr "Cambia H in Metile" #~ msgid "H to Methyl" #~ msgstr "Sostituisci H con Metile" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Trasforma l'idrogeno in gruppi metile" #~ msgid "Add or remove hydrogens" #~ msgstr "Aggiungi o rimuovi idrogeno" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Inserisci catene DNA/RNA" #~ msgid "Peptide..." #~ msgstr "Peptide..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Inserisci sequenze di oligopeptidi" #~ msgid "Invert Chirality" #~ msgstr "Inverti la chiralità" #~ msgid "InvertChiral" #~ msgstr "Inverti Chiralità" #~ msgid "Invert chiral centers" #~ msgstr "Inverti i centri chirali" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "sconosciuto" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Momento del Dipolo Stimato (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Visualizza le proprietà molecolari standard" #~ msgid "Fetch by chemical name..." #~ msgstr "Prendi per nome chimico" #~ msgid "Fetch from URL..." #~ msgstr "Preleva da un URL..." #~ msgid "PDB Entry" #~ msgstr "Voce PDB" #~ msgid "PDB entry to download." #~ msgstr "Voce PDB da scaricare." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL della molecola da scaricare." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "La molecola specificata non è stata caricata: %1" #~ msgid "Network Fetch" #~ msgstr "Prelievo dalla Rete" #~ msgid "Fetch molecule files over the network." #~ msgstr "Preleva i file della molecola dalla rete." #~ msgid "Show Preview" #~ msgstr "Mostra anteprima" #~ msgid "Hide Preview" #~ msgstr "Nascondi Anteprima" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Salva l'immagine creata con il metodo POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "File immagine (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Nessun nome valido del file è stato fornito." #~ msgid "Does not compute." #~ msgstr "Non calcola." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Hai richiesto di non usare una rappresentazione diretta con il metodo POV-" #~ "Ray e di non mantenere il file POV-Ray. Il risultato sarà che non sarà " #~ "salvato il lavoro. Sei sicuro che sia questo ciò che vuoi?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Impossibile scrivere sul file %1. Si possiedono le autorizzazioni per " #~ "scrivere in quella posizione?" #~ msgid "POV-Ray failed to start." #~ msgstr "L'inizializzazione di POV-Ray è fallita." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "L'inizializzazione di POV-Ray è fallita. Forse il percorso " #~ "all'esecutibile non è regolato correttamente." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Crea file POV-Ray ed effettua il rendering utilizzando la linea di " #~ "comando POV-Ray." #~ msgid "Conformer Properties..." #~ msgstr "Proprietà della Conformazione..." #~ msgid "Python Terminal" #~ msgstr "Terminale Python" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Terminale interattivo di scripting python" #~ msgid "Abinit Running." #~ msgstr "Abinit in esecuzione." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Abinit è già in uso. Per favore attendi il termine del calcolo precedente." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit non installato." #~ msgid "The abinit executable cannot be found." #~ msgstr "L'eseguibile di adibit non può essere trovato." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "Abinit non parte. Forse non è installato correttamente." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit non funziona nel modo corretto. Forse non è installato " #~ "correttamente." #~ msgid "QM Matches" #~ msgstr "QM Matches" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Selezione EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Selezione QM..." #~ msgid "Delete" #~ msgstr "Elimina" #~ msgid "You must make a selection!" #~ msgstr "Devi effettuare una selezione!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Conversione SMILES non Disponibile" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Conversione Formato SMILES non Disponibile" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Crea file di input per il pacchetto di chimica quantistica GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Impostazioni Avanzate Modificate" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Le impostazioni avanzate sono state modificate.\n" #~ "Annullare?" #~ msgid "Advanced Settings Reset" #~ msgstr "Reset Impostazioni Avanzate" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Sei sicuro di voler ripristinare le impostazioni avanzate?\n" #~ "Tutte le modifiche andranno perse!" #~ msgid "Basic Settings Reset" #~ msgstr "Reset Impostazioni di Base" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "Sei sicuro di voler ripristinare le impostazioni di base?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Mazzo di input GAMESS-UK" #~ msgid "Gaussian Input Deck" #~ msgstr "Ponte di immissione dati gaussiani" #~ msgid "Gaussian Running." #~ msgstr "Gaussian in esecuzione" #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian è già in esecuzione. Attendere la fine del calcolo precedente." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian non è installato." #~ msgid "The G03 executable, cannot be found." #~ msgstr "L'eseguibile G03 non è stato trovato." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 non si è avviato. Forse non è stato installato correttamente." #~ msgid "Running Gaussian calculation..." #~ msgstr "Calcolo Gaussian in corso..." #~ msgid "G03 Crashed." #~ msgstr "G03 si è arrestato inaspettatamente." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian non è stato eseguito correttamente. Forse non è installato " #~ "correttamente." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Molpro Input Deck" #~ msgstr "Mazzo di input Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Avviso di input MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Mazzo di input MOPAC" #~ msgid "MOPAC Running." #~ msgstr "MOPAC in esecuzione." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC è già in esecuzione. Attendi la fine del calcolo in corso." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC non è installato." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Impossibile trovare l'eseguibile di MOPAC" #~ msgid "MOPAC failed to start." #~ msgstr "MOPAC non è partito." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC non è partito. Potrebbe non essere installato correttamente." #~ msgid "Running MOPAC calculation..." #~ msgstr "Calcolo MOPAC in corso..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC è terminato inaspettatamente." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC non èstato eseguito correttamente.Potrebbe non essere installato " #~ "correttamente." #~ msgid "NWChem Input Deck" #~ msgstr "Mazzo di input NWChem" #~ msgid "Psi4 Input Deck" #~ msgstr "Mazzo input Psi4" #~ msgid "QChem Input Deck" #~ msgstr "Mazzo di input QChem" #~ msgid "Select SMARTS..." #~ msgstr "Seleziona SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Aggiungi selezione con nome..." #~ msgid "SMARTS Selection" #~ msgstr "Selezione SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "S" #~ msgid "There is no current selection." #~ msgstr "Non c'è alcuna selezione corrente." #~ msgid "Add Named Selection" #~ msgstr "Aggiungi selezione con nome" #~ msgid "Name cannot be empty." #~ msgstr "Il nome non può essere vuoto" #~ msgid "There is already a selection with this name." #~ msgstr "Esiste già una selezione con questo nome." #~ msgid "Selections" #~ msgstr "Selezioni" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Seleziona atomi, legami, residui..." #~ msgid "GLSL Shaders..." #~ msgstr "Ombreggiatori GLSL" #~ msgid "Open a vertex shader source file" #~ msgstr "Apri un file sorgente di vertex shader" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "File vertex shader (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Apri un file sorgente fragment shader" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "File fragment shader (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Apri un file di parametri dell'ombreggiatore" #~ msgid "Shader parameters files (*.params)" #~ msgstr "File dei parametri dell'ombreggiatore (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "Ombreggiatori GLSL" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Carica e usa gli ombreggiatori OpenGL 2.0 GLSL" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensità (unità arabe)" #~ msgid "Density of States (states/cell)" #~ msgstr "Densità degli stati (stati/cellula)" #~ msgid "Density of States (states/atom)" #~ msgstr "Densità degli stati (stati/atomo)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Densità degli stati (stati/elettroni di valenza)" #~ msgid "Transmittance (%)" #~ msgstr "Trasmittanza (%)" #~ msgid "Absorbance (%)" #~ msgstr "Assorbanza (%)" #~ msgid "No intensities" #~ msgstr "Intensità assenti" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "I dati della vibrazione nella molecola che hai caricato non hanno dati di " #~ "intensità. Le intensità sono state impostate a un valore arbitrario per " #~ "la visualizzazione." #~ msgid "Activity" #~ msgstr "Attività" #~ msgid "X Axis" #~ msgstr "Asse X" #~ msgid "Y Axis" #~ msgstr "Asse Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Impostazioni spettri &infrarossi" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "Impostazioni spettri &NMR" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DDS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "&UV Settings" #~ msgstr "Impostazioni &UV" #~ msgid "&CD Settings" #~ msgstr "Impostazioni &CD" #~ msgid "&Raman Settings" #~ msgstr "Impostazioni &Raman" #~ msgid "No data" #~ msgstr "Nessun dato" #~ msgid "Dark" #~ msgstr "Scuro" #~ msgid "Publication" #~ msgstr "Pubblicazione" #~ msgid "Handdrawn" #~ msgstr "Disegnato a mano" #~ msgid "New Scheme" #~ msgstr "Nuovo schema" #~ msgid "Confirm Scheme Removal" #~ msgstr "Conferma rimozione schema" #~ msgid "Really remove current scheme?" #~ msgstr "Sicuro di voler rimuovere lo schema corrente?" #~ msgid "Change Scheme Name" #~ msgstr "Cambia il nome dello schema" #~ msgid "Enter new name for current scheme:" #~ msgstr "Inserire un nome per lo schema corrente:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Tab Separated Values (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Tab Separated Values" #~ msgid "Comma Separated Values" #~ msgstr "Comma Separated Values" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Estensione sconosciuta: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "Dati IR PWscf (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Dati IR Turbomole (*.out)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Dato turbomole UV (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Dato turbolmole CD (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Formato dei Dati" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Formato:" #~ msgid "Load Spectral Data" #~ msgstr "Carica Dati Spettrali" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Il file CD Turbomole è formattato impropriamente: %1" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image File Format (TIFF)" #~ msgid "Windows Bitmap" #~ msgstr "Bitmap di Windows" #~ msgid "Portable Pixmap" #~ msgstr "Pixmap Portabile" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "Salva Immaggine di Spettro" #~ msgid "&Advanced <<" #~ msgstr "&Avanzate <<" #~ msgid "&Advanced >>" #~ msgstr "&Avanzate >>" #~ msgid "&Spectra..." #~ msgstr "&Spettri..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "" #~ "Visualizza dati di spettro ottenuti da calcoli di chimica quantistica." #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Analisi Vibrazionale" #~ msgid "No vibrational displacements exist." #~ msgstr "Non esistono spostamenti vibrazionali" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Ordino %1 vibrazioni in ordine di frequenza..." #~ msgid "Pause" #~ msgstr "Metti in pausa" #~ msgid "Super Cell Builder..." #~ msgstr "Costruzione Super Cell..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Questo documento è attualmente una molecola isolata. Devi creare una " #~ "cella unitaria." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Costruisci e mostra super cellue cristallografiche" #~ msgid "Molecular Orbitals..." #~ msgstr "Orbitali molecolari..." #~ msgid "Orbitals" #~ msgstr "Orbitali" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Niente" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Densità elettronica" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Errore - undefined type" #~ msgid "Calculating VdW Cube" #~ msgstr "Calcolando il cubo VdW" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Calcolo in corso per MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Calcola gli orbitali molecolari e le altre superfici" #~ msgid "Insert Nanotube" #~ msgstr "Inserisci nanotubo" #~ msgid "Building..." #~ msgstr "In costruzione..." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "Il widget GL non è stato inizializzato correttamente per fare un video" #~ msgid "GL widget has no molecule" #~ msgstr "Il widget GL non ha molecole" #~ msgid "Building video " #~ msgstr "Sto costruendo il video " #~ msgid "Could not run mencoder." #~ msgstr "Non è stato possibile eseguire mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Imposta Rapporto Aspetto" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "La visuale corrente di Avogadro è larga %1x%2 pixels, e perciò ha un " #~ "rapporto di aspetto %3.\n" #~ "Puoi tenere questo rapporto se, ad esempio, vuoi usare POV-Ray per " #~ "produrre un'immagine di %4x1000 pixels, o puoi inserire un altro valore " #~ "positivo, ad esempio 1, se vuoi che POV-Ray produca un'immagine quadrata, " #~ "per esempio 1000x1000 pixels." #~ msgid "Connect" #~ msgstr "Collega" #~ msgid "Disconnect" #~ msgstr "Scollega" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Tracciamento Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Traccia il movimento utilizzando telecomandi Wii" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Contesto OpenGL non valido.\n" #~ "Può trattarsi di un errore nel setup di OpenGL (puoi eseguire " #~ "applicazioni OpenGL?), altrimenti hai trovato un bug." #~ msgid "Debug Information" #~ msgstr "Informazioni di debug" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Visualizza dimensione: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Atomi: %L1" #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Il tipo di file '%1' non è supportato per la lettura." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Il tipo di file per il file '%1' non è supportato per la lettura." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Lettura della molecola con indice %1 dal file '%2' fallita." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Il tipo di file '%1' non è supportato per la scrittura." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Il tipo di file per il file '%1' non è supportato per la scrittura." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Non è stato possibile aprire il file '%1' in lettura" #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Sostituzione della molecola con indice %1 nel file '%2' fallita." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Il file %1 non può essere aperto per la lettura." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Il file %1 non può essere aperto per la scrittura." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Salvataggio del file molecolare fallito - non è stato possibile " #~ "rinominare il file originale." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Salvataggio del file molecolare fallito - non è stato possibile " #~ "rinominare il nuovo file." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Salvataggio del file molecolare fallito - non è stato possibile rimuovere " #~ "il vecchio file." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Scrittura di una molecola nel file '%1' fallita. Funzione OpenBabel " #~ "fallita." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Il file %1 non può essere aperto per la scrittura." #~ msgid "Molecule %1" #~ msgstr "Molecola %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Motore Python sconosciuto" #~ msgid "N/A" #~ msgstr "N/D" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: controllo in corso " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - lo script non ha una classe «Engine» definita" #~ msgid " - no module" #~ msgstr " - nessun modulo" #~ msgid "Unknown Python Extension" #~ msgstr "Estensione Python sconosciuta" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: controllo in corso " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - lo script non ha una classe «Extension» definita" #~ msgid "Unknown Python Tool" #~ msgstr "Strumento Python sconosciuto" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: controllo in corso " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - lo script non ha una classe «Tool» definita" #~ msgid "Tools" #~ msgstr "Strumenti" #~ msgid "Align:" #~ msgstr "Allinea:" #~ msgid "Everything" #~ msgstr "Tutto" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Impossibile definire il campo di forza..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Numero di vincoli: %1" #~ msgid "Steps per Update:" #~ msgstr "Passaggi per l'aggiornamento:" #~ msgid "Algorithm:" #~ msgstr "Algoritmo:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Dinamiche molecolari (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dinamiche molecolari (900K)" #~ msgid "Start" #~ msgstr "Avvia" #~ msgid "Fixed atoms are movable" #~ msgstr "Gli atomi fissi si possono spostare" #~ msgid "Ignored atoms are movable" #~ msgstr "Gli atomi ignorati si possono spostare" #~ msgid "AutoOpt Molecule" #~ msgstr "AutoOpt Molecola" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Ottimizzazione automatica della geometria molecolare" #~ msgid "AutoOptimization Settings" #~ msgstr "Impostazioni di ottimizzazione automatica" #~ msgid "Auto Rotation Tool" #~ msgstr "Strumento di Auto Rotazione" #~ msgid "x rotation:" #~ msgstr "rotazione sull'asse x:" #~ msgid "x rotation" #~ msgstr "rotazione sull'asse x" #~ msgid "y rotation:" #~ msgstr "rotazione sull'asse y:" #~ msgid "y rotation" #~ msgstr "rotazione sull'asse y" #~ msgid "z rotation:" #~ msgstr "rotazione sull'asse z:" #~ msgid "z rotation" #~ msgstr "rotazione sull'asse z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Rotazione automatica delle molecole" #~ msgid "AutoRotate Settings" #~ msgstr "Impostazioni della rotazione automatica" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Lunghezza del legame :%L1" #~ msgid " Show Angles" #~ msgstr " Mostra gli angoli" #~ msgid "Snap-to Threshold: " #~ msgstr "Soglia Snap-to: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Manipola il legame centrico" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distanza (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distanza (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Angolo diedrico: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distanza(-e)" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Misura le lunghezze dei legami, degli angoli e dei diedri" #~ msgid "Draw Bond" #~ msgstr "Disegna legame" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Disegna e modifica atomi e legami" #~ msgid "Draw Settings" #~ msgstr "Impostazioni di disegno" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Traslare, ruotare e regolare gli atomi e i frammenti" #~ msgid "Manipulate Settings" #~ msgstr "Impostazioni di manipolazione" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Trasla, ruota e zooma intorno alla vista corrente" #~ msgid "Navigate Settings" #~ msgstr "Naviga le impostazioni" #~ msgid "Selection Mode:" #~ msgstr "Modalità di selezione:" #~ msgid "Atom/Bond" #~ msgstr "Atomo/Legame" #~ msgid "Residue" #~ msgstr "Residuo" #~ msgid "Add Center of Atoms" #~ msgstr "Aggiungi il centro degli atomi" #~ msgid "Change color of the atom" #~ msgstr "Cambia il colore dell'atomo" #~ msgid "Change label of the atom" #~ msgstr "Cambia l'etichetta dell'atomo" #~ msgid "Change label of the bond" #~ msgstr "Cambia l'etichetta del legame" #~ msgid "Change radius of the atom" #~ msgstr "Cambia il raggio dell'atomo" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Nuovo raggio, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Seleziona atomi, residui e molecole" #~ msgid "Symbol" #~ msgstr "Simbolo" #~ msgid "Bond Length" #~ msgstr "Lunghezza del legame" #~ msgid "Dihedral Angle" #~ msgstr "Angolo diedrico" #~ msgid "Z Matrix Editor..." #~ msgstr "Editor della matrice Z..." #~ msgid "Z-Matrix" #~ msgstr "Matrice Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Crea/modifica una matrice z" #~ msgid "Z-Matrix Settings" #~ msgstr "Impostazioni della matrice z" #~ msgid "Color residues by:" #~ msgstr "Colora i residui con:" #~ msgid "Hydrophobicity" #~ msgstr "Idrofobicità" #~ msgid "Axes:" #~ msgstr "Assi:" #~ msgid "Cartesian Axes" #~ msgstr "Assi cartesiani" #~ msgid "Orthogonal Axes" #~ msgstr "Assi ortogonali" #~ msgid "Axis 1:" #~ msgstr "Asse 1:" #~ msgid "Axis 2:" #~ msgstr "Asse 2:" #~ msgid "Axis 3:" #~ msgstr "Asse 3:" #~ msgid "Norm" #~ msgstr "Norme" #~ msgid "Preserve vector norms" #~ msgstr "Preserva le norme vettoriali" #~ msgid "Atom Radius:" #~ msgstr "Raggio Atomico:" #~ msgid "Bond Radius:" #~ msgstr "Raggio del legame:" #~ msgid "Shape" #~ msgstr "Forma" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Ciclo" #~ msgid "Dipole:" #~ msgstr "Dipolo:" #~ msgid "Custom Vector" #~ msgstr "Vettore personalizzato" #~ msgid "Custom:" #~ msgstr "Personalizzato:" #~ msgid "Cut-off radius:" #~ msgstr "Raggio di Cut-off:" #~ msgid "Cut-off angle:" #~ msgstr "Raggio di Cut-off" #~ msgid "Rendering Engine:" #~ msgstr "Motore di interpretazione:" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Testo:" #~ msgid "Symbol & Number in Group" #~ msgstr "Simbolo & numero nel gruppo" #~ msgid "Symbol & Atom number" #~ msgstr "Simbolo & Numero atomico" #~ msgid "Partial charge" #~ msgstr "Carica parziale" #~ msgid "Residue number" #~ msgstr "Residuo numero" #~ msgid "Custom data" #~ msgstr "Dati personalizzati" #~ msgid "Change Font" #~ msgstr "Cambia carattere" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Scorrimento dell'etichetta:" #~ msgid "Bond length" #~ msgstr "Lunghezza del legame" #~ msgid "Bond number" #~ msgstr "Numero del legame" #~ msgid "Bond order" #~ msgstr "Ordine del legame" #~ msgid "Radius:" #~ msgstr "Raggio:" #~ msgid "Include Nitrogens" #~ msgstr "Includi Azoto" #~ msgid "VdW Opacity:" #~ msgstr "Opacità VdW:" #~ msgid "Orbital:" #~ msgstr "Orbitale:" #~ msgid "Render:" #~ msgstr "Resa:" #~ msgid "Fill" #~ msgstr "Riempi" #~ msgid "Points" #~ msgstr "Punti" #~ msgid "Draw Box:" #~ msgstr "Disegna Scatola:" #~ msgid "Mapped Colors" #~ msgstr "Colori mappati" #~ msgid "Positive" #~ msgstr "Positivo" #~ msgid "Negative" #~ msgstr "Negativo" #~ msgid "Show Atoms" #~ msgstr "Mostra gli atomi" #~ msgid "Animate Trajectory" #~ msgstr "Anima traiettoria" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Ciclo" #~ msgid "Save as .avi..." #~ msgstr "Salva come .avi..." #~ msgid "Angstroms" #~ msgstr "Angstrom" #~ msgid "Bohrs" #~ msgstr "Bohr" #~ msgid "Fractional" #~ msgstr "Frazionale" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, solo coordinate" #~ msgid "GAMESS Input #2" #~ msgstr "Input #2 GAMESS" #~ msgid "Priroda Input" #~ msgstr "Input Priroda" #~ msgid "Apply Changes" #~ msgstr "Applica i cambiamenti" #~ msgid "Cut All" #~ msgstr "Taglia tutto" #~ msgid "Paste to the End" #~ msgstr "Incolla alla fine" #~ msgid "(None)" #~ msgstr "(Niente)" #~ msgid "Sort by " #~ msgstr "Ordina per " #~ msgid "Number of atoms:" #~ msgstr "Numero di Atomi:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Numero di legami ruotabili:" #~ msgid "Add Constraints" #~ msgstr "Aggiungi Vincoli" #~ msgid "Ignore Atom" #~ msgstr "Ignora Atomo" #~ msgid "Fix Atom" #~ msgstr "Fissa Atomo" #~ msgid "Fix Atom X" #~ msgstr "Fissa Atomo X" #~ msgid "Fix Atom Y" #~ msgstr "Fissa Atomo Y" #~ msgid "Fix Atom Z" #~ msgstr "Fissa Atomo Z" #~ msgid "Torsion angle" #~ msgstr "Angolo di Torsione" #~ msgid "Add" #~ msgstr "Aggiungi" #~ msgid "Save" #~ msgstr "Salva" #~ msgid "Load" #~ msgstr "Carica" #~ msgid "Atomic &identites:" #~ msgstr "&Identità atomiche:" #~ msgid "Plane:" #~ msgstr "Piano:" #~ msgid "&Miller Indices:" #~ msgstr "Indici &Miller:" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Attenzione: Usare Indici Miller diversi da zero" #~ msgid "Width (x)" #~ msgstr "Larghezza (x)" #~ msgid "Width (y)" #~ msgstr "Larghezza (y)" #~ msgid "Height (z)" #~ msgstr "Altezza (z)" #~ msgid "length" #~ msgstr "lunghezza" #~ msgid "by arbitrary vector" #~ msgstr "da vettore arbitrario" #~ msgid "Translation vector:" #~ msgstr "Vettore di trasformazione:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "Unità &vettoriali:" #~ msgid "Cartesian" #~ msgstr "Cartesiano" #~ msgid "&Translate" #~ msgstr "&Trasforma" #~ msgid "Crystal View Options" #~ msgstr "Opzioni vista cristallo" #~ msgid "One" #~ msgstr "Uno" #~ msgid "All" #~ msgstr "Tutti" #~ msgid "Color..." #~ msgstr "Colore..." #~ msgid "View Along:" #~ msgstr "Vista avanti:" #~ msgid "Default View" #~ msgstr "Vista Predefinita" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Indici di Miller" #~ msgid "File Import..." #~ msgstr "Importa file..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Provare a intuire i legami?" #~ msgid "Setup Force Field" #~ msgstr "Installa il campo di forza" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Numero di passi" #~ msgid "Algorithm" #~ msgstr "Algoritmo" #~ msgid "Alanine" #~ msgstr "Alanina" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Arginina" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Asparagina" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "Acido aspartico" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Cisteina" #~ msgid "Cys" #~ msgstr "Cis" #~ msgid "Glutamic acid" #~ msgstr "Acido glutammico" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Glutammina" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Glicina" #~ msgid "Gly" #~ msgstr "Gli" #~ msgid "Histidine" #~ msgstr "Istidina" #~ msgid "His" #~ msgstr "Is" #~ msgid "Isoleucine" #~ msgstr "Isoleucina" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Valine" #~ msgstr "Valina" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyrosine" #~ msgstr "Tirosina" #~ msgid "Tyr" #~ msgstr "Tir" #~ msgid "Tryptophan" #~ msgstr "Triptofano" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "Treonina" #~ msgid "Thr" #~ msgstr "Tr" #~ msgid "Serine" #~ msgstr "Serina" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Prolina" #~ msgid "Phenylalanine" #~ msgstr "Fenilalanina" #~ msgid "Phe" #~ msgstr "Fe" #~ msgid "Methionine" #~ msgstr "Metionina" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Lisina" #~ msgid "Lys" #~ msgstr "Lis" #~ msgid "Leucine" #~ msgstr "Leucina" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "Sequenza (da N a C):" #~ msgid "Stereochemistry:" #~ msgstr "Stereochimica:" #~ msgid "L" #~ msgstr "L" #~ msgid "N Terminus:" #~ msgstr "Capolinea N:" #~ msgid "C Terminus:" #~ msgstr "Capolinea C:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Straight Chain" #~ msgstr "Catena dritta" #~ msgid "Alpha Helix" #~ msgstr "Elica alpha" #~ msgid "Beta Sheet" #~ msgstr "Foglio beta" #~ msgid "Pi Helix" #~ msgstr "Elica Pi" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "Psi:" #~ msgstr "Psi:" #~ msgid "Chain Number:" #~ msgstr "Numero della catena:" #~ msgid "The chain number for the new peptide" #~ msgstr "Il numero della catena per il nuovo peptide" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Numero di residui:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energia (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Momento dipolare (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Avanzate" #~ msgid "Control" #~ msgstr "Controllo" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "Grid" #~ msgstr "Griglia" #~ msgid "POV-Ray Export" #~ msgstr "Esporta POV-Ray" #~ msgid "Select..." #~ msgstr "Seleziona..." #~ msgid "povray" #~ msgstr "POV-Ray" #~ msgid "Use full scene antialiasing" #~ msgstr "Usa un antialiasing su tutta il contesto" #~ msgid "Antialias" #~ msgstr "Anti-Aliasing" #~ msgid "Set the background color to be transparent" #~ msgstr "Modifica il colore dello sfondo su trasparente" #~ msgid "Alpha transparency" #~ msgstr "Trasparenza alfa" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Mostra la molecola direttamente usando la linea di comando POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "" #~ "Mantieni la sorgente POV-Ray dopo che il rendering è stato completato" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Mantieni la sorgente POV-Ray dopo il rendering" #~ msgid "Path:" #~ msgstr "Percorso:" #~ msgid "Abinit Input" #~ msgstr "Input di Abinit" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Cartesiane (Angstrom)" #~ msgid "Reduced" #~ msgstr "Ridotte" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Tolleranza sulle forze(Ha/bohr):" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Numero di bande:" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Schema di occupazione:" #~ msgid "SCF tolerance type:" #~ msgstr "Tipo di tolleranza SCF:" #~ msgid "Maximum Force" #~ msgstr "Forza massima" #~ msgid "Relative Force" #~ msgstr "Forza relativa" #~ msgid "1 - semiconducting" #~ msgstr "1 - semiconduttori" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - Cold Smearing (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 - Gaussian smearing" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Calcola..." #~ msgid "Dalton Input" #~ msgstr "Input Dalton" #~ msgid "Basics" #~ msgstr "Informazioni di base" #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Stile Pople" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Funzioni relative al nucleo" #~ msgid "Diffuse functions" #~ msgstr "Funzioni di diffusione" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Diretto" #~ msgid "Parallel" #~ msgstr "Parallelo" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Specificazione della griglia" #~ msgid "Partitioning Scheme:" #~ msgstr "Schema di suddivisione:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (originale)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Qualità della griglia:" #~ msgid "coarse" #~ msgstr "grezza" #~ msgid "normal" #~ msgstr "normale" #~ msgid "fine" #~ msgstr "buona" #~ msgid "ultrafine" #~ msgstr "ultrafine" #~ msgid "Radial Scheme:" #~ msgstr "Schema radiale:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Mostra tutti i funzionali" #~ msgid "Property:" #~ msgstr "Proprietà:" #~ msgid "Polarizability" #~ msgstr "Polarizzabilità" #~ msgid "Frequency Dependent" #~ msgstr "Dipendente dalla frequenza" #~ msgid "No. excitations:" #~ msgstr "Numero di eccitazioni:" #~ msgid "EFP Matches" #~ msgstr "EFP Matches" #~ msgid "Group Label:" #~ msgstr "Etichetta di Gruppo:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "Setup &Avanzato" #~ msgid "Hessian" #~ msgstr "Hessiano" #~ msgid "Stat Point" #~ msgstr "Punto Stazionario" #~ msgid "System" #~ msgstr "Sistema" #~ msgid "MO Guess" #~ msgstr "Guess MO" #~ msgid "Misc" #~ msgstr "Varie" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Funzioni di Polarizzazione Atomi Pesanti:" #~ msgid "Read" #~ msgstr "Leggi" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Shell s diffuse su Atomi Pesanti" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Shell l diffuse su Atomi Pesanti" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Double Zeta Valence" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "DZ Binning/Curtis" #~ msgid "Triple Zeta Valence" #~ msgstr "Triple Zeta Valence" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA Valence" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt Valence" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Tipo ECP:" #~ msgid "Default" #~ msgstr "Predefinito" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Funzioni di Polarizzazione su Atomi Pesanti:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#Funzioni di Polarizzazione per atomi Leggeri:" #~ msgid "Polar:" #~ msgstr "Polare:" #~ msgid "Max SCF Iterations:" #~ msgstr "Numero massimo si cicli SCF:" #~ msgid "Gradient" #~ msgstr "Gradiente" #~ msgid "Trudge" #~ msgstr "Escursione" #~ msgid "Saddle Point" #~ msgstr "Punto di Sella" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Estremo Gradiente" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Transizione del momento radiante." #~ msgid "Spin Orbit" #~ msgstr "Spin Orbitale" #~ msgid "Finite Electric Field" #~ msgstr "Campo Finito" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Ottimizzazione globale" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Ottimizzazione FMO" #~ msgid "Raman Intensities" #~ msgstr "Intensità Raman" #~ msgid "Make EFP" #~ msgstr "Costruisci EFP" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "None (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Tipo di SCF:" #~ msgid "Localization Method:" #~ msgstr "Metodo di Localizzazione:" #~ msgid "Exec Type:" #~ msgstr "Tipo Di Eseguibile:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinant" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Occupation Restricted Multiple Active Space" #~ msgid "CI Singles" #~ msgstr "CI Singles" #~ msgid "Full Second Order CI" #~ msgstr "Full Second Order CI" #~ msgid "General CI" #~ msgstr "General CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Linearized CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC with Doubles" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC with Singles and Doubles" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Esecuzione Normale" #~ msgid "Check" #~ msgstr "Verifica" #~ msgid "Debug" #~ msgstr "Debug" #~ msgid "Molecule Charge:" #~ msgstr "Carica della Molecola:" #~ msgid "Run Type:" #~ msgstr "Tipo di calcolo:" #~ msgid "Use MP2" #~ msgstr "Usa MP2" #~ msgid "Use DFT" #~ msgstr "Usa DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# di variabili Z-Matrix" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Ordine degli assi principali:" #~ msgid "Coordinate Type:" #~ msgstr "Tipo di Coordinate" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Coordinate Cartesiane uniche." #~ msgid "Hilderbrant internals" #~ msgstr "Interne di Hilderbrant" #~ msgid "MOPAC Z-Matrix" #~ msgstr "matrice-Z MOPAC" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Sfrutta la simmetria durante il Calcolo" #~ msgid "Point Group:" #~ msgstr "Gruppo Punto:" #~ msgid "Minutes" #~ msgstr "Minuti" #~ msgid "Hours" #~ msgstr "Ore" #~ msgid "Days" #~ msgstr "Giorni" #~ msgid "Weeks" #~ msgstr "Settimane" #~ msgid "Years" #~ msgstr "Anni" #~ msgid "Millenia" #~ msgstr "Millenni" #~ msgid "MegaWords" #~ msgstr "MegaWords" #~ msgid "MegaBytes" #~ msgstr "MegaBytes" #~ msgid "GigaWords" #~ msgstr "GigaWords" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Forza Metodi Paralleli" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Produci il file \"core\" in caso di abort" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Memoria:" #~ msgid "Diagonalization Method:" #~ msgstr "Metodo do Diagonalizzazione" #~ msgid "Parallel Load Balance Type" #~ msgstr "Tipo di bilanciamento a carica parallela" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Ciclo" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Valore successivo" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Usa la rappresentazione di dati esterni per i messaggi" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO Letti ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO Salvati (DICTNRY)" #~ msgid "Skip" #~ msgstr "Salta" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Ruota gli Orbitali Alfa e Beta" #~ msgid "Print the Initial Guess" #~ msgstr "Stampa il Guess Iniziale" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Interfaccia di GAMESS con Altri Codici" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Forza un Controlla Tipo Di Avvio" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK Version)" #~ msgid "Solvate with Water" #~ msgstr "Solvata con Acqua" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Genera gli orbitali naturali UHF" #~ msgid "Direct SCF" #~ msgstr "SCF Diretto" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Calcola solo i cambiamenti nella Fock Matrix" #~ msgid "Slater exchange" #~ msgstr "Scambio di Slater" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 exchange" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: corrrelazione Vosko-Wilk-Nusair (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: correlazione di Lee-Yang-Parr" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: scambio di Slater + correlazione VWN" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: scambio di BECKE + correlazione VWN5" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: scambio di BECKE + correlazione LYP" #~ msgid "Gill 1996 exchange" #~ msgstr "scambio Gill 1996" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "scambio Perdew-Burke-Ernzerhof (PBE)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: correlazione One-parameter Progressive" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: scambio SLATER + correlazione Lee-Yang-Parr (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: scambio di SLATER + correlazione OP" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: scambio di BECKE + correlazione OP" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: scambio di GILL + correlazione VWN5" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: scambio di GILL +correlazione LYP" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: scambio PBE exchange + correlazione VWN6" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: scambio PBE + correlazione LYP" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: scambio PBE + correlazione OP" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: scambio HF e BECKE + correlazione LYP" #~ msgid "Grid-Free" #~ msgstr "Libero-Da-Griglie" #~ msgid "DFT Functional:" #~ msgstr "Funzionale DFT:" #~ msgid "AO Integral Storage" #~ msgstr "Salvataggio degli Integrali" #~ msgid "Duplicated on Each Node" #~ msgstr "Duplica su tutti i Nodi" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distribuisci su tutti i Nodi" #~ msgid "words" #~ msgstr "parole" #~ msgid "Compute MP2 Properties" #~ msgstr "Calcola le proprietà MP2" #~ msgid "Use Localized Orbitals" #~ msgstr "Usa Orbitali localizzati" #~ msgid "# of Core Electrons:" #~ msgstr "# di Elettroni di Core:" #~ msgid "Transformation Method" #~ msgstr "Metodo di Trasformazione" #~ msgid "Segmented Transformation" #~ msgstr "Trasformazione Segmentata" #~ msgid "Numeric" #~ msgstr "Numerico" #~ msgid "Double Differenced Hessian" #~ msgstr "Hessiano da Differenze Doppie" #~ msgid "Print Internal Force Constants" #~ msgstr "Stampa le Costanti di Forza Interne" #~ msgid "Displacement Size:" #~ msgstr "Dimensione dello Spostamento" #~ msgid "Purify Hessian" #~ msgstr "Purifica l'Hessiano" #~ msgid "Frequency Scale Factor:" #~ msgstr "Fattore di Scala delle Frequenze:" #~ msgid "bohrs" #~ msgstr "bohr" #~ msgid "Initial Hessian" #~ msgstr "Hessiano Iniziale" #~ msgid "Guess (+ define)" #~ msgstr "Supposizione (+ definizione)" #~ msgid "Read (from $HESS)" #~ msgstr "Leggi (da $HESS)" #~ msgid "Update Step Size" #~ msgstr "Aggiorna il Passo" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Stampa gli Orbitali ad ogni Ciclo" #~ msgid "Stationary Point" #~ msgstr "Punto Stazionario" #~ msgid "Initial:" #~ msgstr "Iniziale:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Ottimizzazione della funzione razionale" #~ msgid "Quadratic Approximation" #~ msgstr "Approssimazione Quadratica" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Ottimizzazione con vincoli" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Ricalcola Hessiano Ogni:" #~ msgid "Follow Mode:" #~ msgstr "Modalità Seguire:" #~ msgid "GAMESS-UK Input" #~ msgstr "Input GAMESS-UK" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Input GAMESS-UK generato da Avogadro" #~ msgid "Transition State Search" #~ msgstr "Ricerca dello stato di transizione" #~ msgid "Basis:" #~ msgstr "Set Base:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Matrice-Z" #~ msgid "Run in direct mode:" #~ msgstr "Esegui in modalità diretta:" #~ msgid "Gaussian Input" #~ msgstr "Input Gaussian" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Standard" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Checkpoint:" #~ msgid "Z-matrix (compact)" #~ msgstr "Matrice-Z (compatto)" #~ msgid "MOLPRO Input" #~ msgstr "Input MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Versione di Molpro:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "Quartet" #~ msgstr "Quartetto" #~ msgid "Quintet" #~ msgstr "Quintetto" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Input NWChem" #~ msgid "Q-Chem Input" #~ msgstr "Input Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "no" #~ msgid "yes" #~ msgstr "sì" #~ msgid "D2" #~ msgstr "D2" #~ msgid "D3" #~ msgstr "D3" #~ msgid "Dispersion:" #~ msgstr "Dispersione:" #~ msgid "Load Shaders" #~ msgstr "Carica ombreggiatori" #~ msgid "Shader Name:" #~ msgstr "Nome dell'ombreggiatore" #~ msgid "Vertex Shader:" #~ msgstr "Ombreggiatore Vertex" #~ msgid "Fragment Shader:" #~ msgstr "Ombreggiatore dei frammenti" #~ msgid "Assign Shader" #~ msgstr "Assegna shader" #~ msgid "Display Type:" #~ msgstr "Tipo di visualizzazione:" #~ msgid "Font:" #~ msgstr "Carattere:" #~ msgid "Change Font..." #~ msgstr "Cambia carattere..." #~ msgid "New..." #~ msgstr "Nuovo..." #~ msgid "Rename..." #~ msgstr "Rinomina..." #~ msgid "&Schemes:" #~ msgstr "&Schemi:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Larghezza:" #~ msgid "&Height" #~ msgstr "&Altezza" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Regola automaticamente la dimensione del c&arattere" #~ msgid "Spectra Tab" #~ msgstr "Scheda degli spettri" #~ msgid "&Gaussian Width:" #~ msgstr "Larghezza &Gaussian:" #~ msgid "&Label peaks" #~ msgstr "Cime dell'&etichetta" #~ msgid "Rotatory Strength type:" #~ msgstr "Tipo di forza rotatoria:" #~ msgid "Energy units:" #~ msgstr "Unità di energia:" #~ msgid "Density units" #~ msgstr "Unità di densità" #~ msgid "Fermi Energy: " #~ msgstr "Energia di Fermi: " #~ msgid "States / Cell" #~ msgstr "Stati / Cellule" #~ msgid "States / Atom" #~ msgstr "Stati / Atomi" #~ msgid "States / Valence electron" #~ msgstr "Stati / Elettroni di valenza" #~ msgid "Fermi energy at zero" #~ msgstr "Energia di Fermi a zero" #~ msgid "Scale integrated DOS" #~ msgstr "Scala il DOS integrato" #~ msgid "Show integrated DOS" #~ msgstr "Mostra il DOS integrato" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "Unità di asse &Y:" #~ msgid "Relative" #~ msgstr "Relativo" #~ msgid "Laser Wavenumber:" #~ msgstr "Numero di onde laser:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Nucleus:" #~ msgstr "Nucleo:" #~ msgid "Gaussian &Width:" #~ msgstr "&Larghezza Gaussian:" #~ msgid "Label Peaks:" #~ msgstr "Cime dell'etichetta:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Vibrazioni molecolari" #~ msgid "Filter: " #~ msgstr "Filtro: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Activity (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Mostra spettri..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "" #~ "più le frequenze di vibrazione sono alte più veloci sono gli spostamenti" #~ msgid "Animation speed set by frequency" #~ msgstr "Velocità dell'animazione determinata dalla frequenza" #~ msgid "Display force &vectors" #~ msgstr "Visualizza i &vettori di forza" #~ msgid "&Normalize displacements" #~ msgstr "&Normalizza sostituzioni" #~ msgid "&Recalculate All" #~ msgstr "&Ricalcola tutto" #~ msgid "Default &Quality:" #~ msgstr "&Qualità predefinita" #~ msgid "Show occupied orbitals first" #~ msgstr "Mostra prima gli orbitali occupati" #~ msgid "Surface Type:" #~ msgstr "Tipo di superficie:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Bassa" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Media" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Alta" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Molto alta" #~ msgid "New Display" #~ msgstr "Nuova visualizzazione" #~ msgid "Advanced..." #~ msgstr "Avanzato..." #~ msgid "&Length:" #~ msgstr "&Lunghezza:" #~ msgid "Uni&t:" #~ msgstr "Uni&tà:" #~ msgid "periodic units" #~ msgstr "unità periodiche" #~ msgid "angstrom" #~ msgstr "angstrom" #~ msgid "nanometers" #~ msgstr "nanometri" #~ msgid "&Cap with hydrogen" #~ msgstr "&Cap con idrogeno" #~ msgid "Find &double bonds" #~ msgstr "Trova i &doppi legami" #~ msgid "Display visual cues" #~ msgstr "Visualizza i segnali visivi" #~ msgid "Python Settings" #~ msgstr "Impostazioni di Python" #~ msgid "Z Matrix Editor" #~ msgstr "Editor di matrici Z" avogadrolibs-1.100.0/i18n/ja.po000066400000000000000000013320301474375334400160560ustar00rootroot00000000000000# Japanese translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Eisuke Kawashima , 2021, 2022, 2023, 2024, 2025. # Chiyu Liang <532117255@qq.com>, 2023. # LibreTranslate , 2024. # Weblate Translation Memory , 2024. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-08 01:12+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Japanese \n" "Language: ja\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=1; plural=0;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:02+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "バッチジョブ #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "メッセージが指定されていません。" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 #, fuzzy msgid "Non-string warning returned." msgstr "文字列でない警告が返却されました。" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "'warnings' メンバーは配列ではありません." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "参照ファイル'%1'は存在しません。" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "ファイル%1の生成でエラー: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "不正なファイルエントリー: filename/contents が見つからないか、文字列ではあり" "ません:\n" "%1" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "'files' メンバーは配列ではありません." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "'files' メンバーが見つかりません。" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "'mainFile' メンバーは文字列でなければなりません。" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "スクリプト出力:\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "分子表現を文字列に保存する際にエラー: %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "%1インプットジェネレータ" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "続ける" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "閉じる" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "不明" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "編集されたインプットファイルを上書きしますか？" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "インプット生成時に問題が発生しました:" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "保存するインプットファイルがありません！" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "MoleQueueに接続できません" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "MoleQueueサーバに接続できません。起動していることを確認し、もう一度試してくだ" "さい。" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "%1の計算を投入" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "ジョブ失敗" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "ジョブは正常に完了しませんでした。" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "警告を隠す (&W)" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "警告を表示する (&W)" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "エラーが起きました:" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "出力ファイル名を選択" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "出力エラー" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "ファイル %1 の書き込みに失敗しました。" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "アウトプットディレクトリーを選択" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: ディレクトリーが存在しません！" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: ディレクトリーの読み込みができません！" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: ファイルが上書きされます。" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: ファイルの書き込みができません。" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "警告:\n" "\n" "%1\n" "\n" "続けますか？" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 #, fuzzy msgid "Write input files" msgstr "入力ファイルの書き込み" #: molequeue/inputgeneratorwidget.cpp:617 #, fuzzy msgid "Configure Job" msgstr "ジョブの設定" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 #, fuzzy msgid "Job Submission Timeout" msgstr "ジョブの投入がタイムアウト" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "完了したジョブの情報を取得しています…" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "ジョブの投入でエラー" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "プログラムが選択されていません。" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 #, fuzzy msgid "Internal error." msgstr "内部エラー。" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "左右に分割" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "上下に分割" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "水素 (Hydrogen)" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "ヘリウム (Helium)" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "リチウム (Lithium）" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "ベリリウム (Beryllium)" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "ホウ素 (Boron)" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "炭素 (Carbon)" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "窒素 (Nitrogen)" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "酸素 (Oxygen)" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "フッ素 (Fluorine)" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "ネオン (Neon)" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "ナトリウム (Sodium)" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "マグネシウム (Magnesium)" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "アルミニウム (Aluminum)" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "ケイ素 (Silicon)" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "リン (Phosphorus)" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "硫黄 (Sulfur)" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "塩素 (Chlorine)" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "アルゴン (Argon)" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "カリウム (Potassium)" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "カルシウム (Calcium)" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "スカンジウム (Scandium)" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "チタン (Titanium)" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "バナジウム (Vanadium)" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "クロム (Chromium)" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "マンガン (Manganese)" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "鉄 (Iron)" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "コバルト (Cobalt)" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "ニッケル (Nickel)" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "銅 (Copper)" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "亜鉛 (Zinc)" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "ガリウム (Gallium)" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "ゲルマニウム (Germanium)" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "ヒ素 (Arsenic)" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "セレン (Selenium)" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "臭素 (Bromine)" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "クリプトン (Krypton)" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "ルビジウム (Rubidium)" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "ストロンチウム (Strontium)" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "イットリウム (Yttrium)" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "ジルコニウム (Zirconium)" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "ニオブ (Niobium)" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "モリブデン (Molybdenum)" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "テクネチウム (Technetium)" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "ルテニウム (Ruthenium)" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "ロジウム (Rhodium)" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "パラジウム (Palladium)" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "銀 (Silver)" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "カドミウム (Cadmium)" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "インジウム (Indium)" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "スズ (Tin)" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "アンチモン (Antimony)" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "テルル (Tellurium)" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "ヨウ素 (Iodine)" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "キセノン (Xenon)" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "セシウム (Cesium)" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "バリウム (Barium)" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "ランタン (Lanthanum)" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "セリウム (Cerium)" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "プラセオジム (Praseodymium)" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "ネオジム (Neodymium)" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "プロメチウム (Promethium)" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "サマリウム (Samarium)" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "ユウロピウム (Europium)" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "ガドリニウム (Gadolinium)" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "テルビウム (Terbium)" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "ジスプロシウム (Dysprosium)" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "ホルミウム (Holmium)" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "エルビウム (Erbium)" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "ツリウム (Thulium)" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "イッテルビウム (Ytterbium)" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "ルテチウム (Lutetium)" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "ハフニウム (Hafnium)" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "タンタル (Tantalum)" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "タングステン (Tungsten)" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "レニウム (Rhenium)" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "オスミウム (Osmium)" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "イリジウム (Iridium)" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "白金 (Platinum)" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "金 (Gold)" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "水銀 (Mercury)" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "タリウム (Thallium)" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "鉛 (Lead)" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "ビスマス (Bismuth)" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "ポロニウム (Polonium)" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "アスタチン (Astatine)" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "ラドン (Radon)" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "フランシウム (Francium)" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "ラジウム (Radium)" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "アクチニウム (Actinium)" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "トリウム (Thorium)" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "プロトアクチニウム (Protactinium)" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "ウラン (Uranium)" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "ネプツニウム (Neptunium)" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "プルトニウム (Plutonium)" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "アメリシウム (Americium)" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "キュリウム (Curium)" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "バークリウム (Berkelium)" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "カルホルニウム (Californium)" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "アインスタイニウム (Einsteinium)" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "フェルミウム (Fermium)" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "メンデレビウム (Mendelevium)" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "ノーベリウム (Nobelium)" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "ローレンシウム (Lawrencium)" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "ラザホージウム (Rutherfordium)" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "ドブニウム (Dubnium)" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "シーボーギウム (Seaborgium)" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "ボーリウム (Bohrium)" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "ハッシウム (Hassium)" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "マイトネリウム (Meitnerium)" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "ダルムスタチウム (Darmstadtium)" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "レントゲニウム (Roentgenium)" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "コペルニシウム (Copernicium)" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "ニホニウム (Zirconium)" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "フレロビウム (Flerovium)" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "モスコビウム (Moscovium)" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "リバモリウム (Livermorium)" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "テネシン (Tennessine)" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "オガネソン (Oganesson)" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "参照" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "ファイルを選択:" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "実行ファイルを選択:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "ファイルの拡張子がないため、フォーマットを決定できません。 追加しますか？" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "全てのファイル" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "サポートされているすべてのフォーマット" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "%1メッセージ" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "'userOptions' が見つかりません。" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "オプション '%1' が見つかりません。" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "タブ %1" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "タイトル" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "プロセッサコア" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "計算のタイプ" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "理論" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "基底" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "電荷" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "多重度" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "[分子がありません]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "レイヤー %1" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "ボールとスティック" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "カートゥーン" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "結晶格子" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "双極子モーメント" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "力" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "ラベル" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "リコリス" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "メッシュ" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 #, fuzzy msgid "Non-Covalent" msgstr "非共有" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "対称要素" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "ファンデルワールス" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "ワイヤーフレーム" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "無題" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "新しいビューを作る" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "周期表" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "警告 '%1'" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "スクリプトの開始に失敗しました。" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "スクリプトがクラッシュしました。" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "スクリプトがタイムアウトしました。" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "読み込みエラー。" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "書き込みエラー。" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "不明なエラー。" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "レイヤーの編集" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "レイヤーの削除" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "レイヤー情報の削除" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "レイヤーの追加" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "レイヤー情報の追加" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "レイヤーの変更" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "原子を追加" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "原子を削除" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "原子をクリア" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "自動的に水素を付加" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "元素を変更" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "元素を変更" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "原子の混成を変更" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "原子の形式電荷を変更" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "原子の色を変更" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "原子のレイヤーを変更" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "結合を追加" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "結合を削除" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "結合をクリア" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "結合次数を設定" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "結合次数を変更" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "結合の更新" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "結合の更新" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "ユニットセルの追加…" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "ユニットセルを削除" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "ユニットセルを編集" #: qtgui/rwmolecule.cpp:499 #, fuzzy msgid "Wrap Atoms to Cell" msgstr "原子をセルに移動" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "セル体積の拡大縮小" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "スーパーセルの構築" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "ニグリ簡約" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "標準配向に回転" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 #, fuzzy msgid "Reduce to Primitive" msgstr "セルをPrimitive既約化" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "セルを対称化" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "非対称単位にセルを縮約" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "原子の位置を変更" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "原子の位置を変更" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "原子のラベルを変更" #: qtgui/rwmolecule.h:260 #, fuzzy msgid "Change Bond Label" msgstr "結合ラベルの変更" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "選択を変更" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "分子の編集" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "設定" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3DMol HTMLブロック。" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "ファイル (&F)" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "エクスポート (&E)" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 #, fuzzy msgid "Change Elements…" msgstr "元素の変更…" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "ビルド (&B)" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "元素:" #: qtplugins/alchemy/alchemy.h:31 #, fuzzy msgid "Alchemy" msgstr "Alchemy" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "原子の元素を変更" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "アラインメント" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" "分子のアラインメント\n" "\n" "左クリック: \t二つまでの分子を選んでください。\n" "\t最初の原子が座標の原点になります。\n" "\t次の原子が選択した座標軸上にアラインメントされます。\n" "右クリック: \tアラインメントをリセットします。\n" "ダブルクリック: \t原子を原点に設定します。" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "座標軸:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "原点にアラインする" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "軸にアラインする" #: qtplugins/aligntool/aligntool.cpp:308 #, fuzzy #| msgid "selected atom to origin" msgid "Center the atom at the origin." msgstr "選択原子を原点に" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "指定した軸に原子を合わせるために分子を回転させます。" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "アラインツール" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "分子を座標軸に沿ってアラインメント" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "APBSを実行…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "出力ファイルを開く…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "インプット (&I)" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDXファイル(*.dx)" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "IOエラー" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "OpenDX エラー" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "PDBファイルを開く" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDBファイル(*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "PQRファイルを開く" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQRファイル(*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "エラー" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "APBSインプット (*.in)" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "成功" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "カスタムカラー…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "元素" #: qtplugins/applycolors/applycolors.cpp:72 #, fuzzy msgid "By Chain" msgstr "チェーン" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy #| msgid "Partial Charge" msgid "By Partial Charge…" msgstr "部分電荷…" #: qtplugins/applycolors/applycolors.cpp:82 #, fuzzy msgid "By Secondary Structure" msgstr "二次構造" #: qtplugins/applycolors/applycolors.cpp:87 #, fuzzy msgid "By Amino Acid" msgstr "アミノ酸" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 #, fuzzy msgctxt "colormap" msgid "Heat" msgstr "ヒート" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 #, fuzzy msgctxt "colormap" msgid "Hot" msgstr "ホット" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 #, fuzzy msgctxt "colormap" msgid "Gray" msgstr "グレー" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 #, fuzzy msgctxt "colormap" msgid "Magma" msgstr "マグマ" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 #, fuzzy msgctxt "colormap" msgid "Inferno" msgstr "インフェルノ" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 #, fuzzy msgctxt "colormap" msgid "Plasma" msgstr "プラズマ" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 #, fuzzy msgctxt "colormap" msgid "Viridis" msgstr "ヴィリディス" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 #, fuzzy msgctxt "colormap" msgid "Cividis" msgstr "シヴィディウス" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "スペクトル" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 #, fuzzy msgctxt "colormap" msgid "Coolwarm" msgstr "クールウォーム" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "バランス" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 #, fuzzy msgctxt "colormap" msgid "Blue-DarkRed" msgstr "ブルー・ダークレッド" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 #, fuzzy msgctxt "colormap" msgid "Turbo" msgstr "ターボ" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "原子と残基にカラースキームを適用します。" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "表示 (&V)" #: qtplugins/applycolors/applycolors.cpp:152 #, fuzzy msgid "Color Atoms" msgstr "原子の色付け" #: qtplugins/applycolors/applycolors.cpp:154 #, fuzzy msgid "Color Residues" msgstr "残基の色付け" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "カラーマップを選択" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "カラーマップ:" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 #, fuzzy msgid "Atom scale" msgstr "原子スケール" #: qtplugins/ballandstick/ballandstick.cpp:116 #, fuzzy msgid "Bond scale" msgstr "結合スケール" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "不透明度" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "多重結合を表示" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "水素を表示" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "原子を球、結合を筒として表示する。" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "結合中心操作" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "%L1°" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "%L1 Å" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "結合中心操作ツール" #: qtplugins/bondcentrictool/bondcentrictool.h:174 #, fuzzy msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "結合長や結合角を変えて分子構造を編集するツールです。" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "結合次数を読み込む" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "結合を削除" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "選択した原子を結合" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "結合" #: qtplugins/bonding/bonding.cpp:72 #, fuzzy msgid "Remove bonds from all or selected atoms." msgstr "すべて、あるいは選択した原子から結合を削除。" #: qtplugins/bonding/bonding.cpp:74 #, fuzzy msgid "Create bonds between all or selected atoms." msgstr "すべて、または選択した原子の間に結合を作成。" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "結合次数を読み込む。" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "バックボーン" #: qtplugins/cartoons/cartoons.cpp:93 #, fuzzy msgctxt "protein rendering style" msgid "Trace" msgstr "トレース" #: qtplugins/cartoons/cartoons.cpp:94 #, fuzzy msgctxt "protein rendering style" msgid "Tube" msgstr "チューブ" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "リボン" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "カートゥーン" #: qtplugins/cartoons/cartoons.cpp:98 #, fuzzy msgctxt "protein rendering style" msgid "Rope" msgstr "ロープ" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "中心を追加" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "重心を追加" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "中心" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "幾何中心と質量中心を追加する。" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "最大距離:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "線幅:" #: qtplugins/closecontacts/closecontacts.h:36 #, fuzzy #| msgid "Renders force displacements on atoms" msgid "Render close contacts between atoms." msgstr "原子間の接触を表示。" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "塩橋" #: qtplugins/closecontacts/closecontacts.h:56 #, fuzzy msgid "Repulsive" msgstr "反発" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "エクステンション (&E)" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "スクリプト" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "%1を処理中" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "Pythonインタープリタへのパスを設定:" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "コマンドスクリプト" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "外部スクリプトコマンドの実行" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "Pythonの設定…" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "Pythonをインストール" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Avogadroの機能の多くはPythonを使用しています。Pythonをダウンロードしますか？" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 #, fuzzy msgid "Configure Python environments." msgstr "Python環境の設定。" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "その他…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "原子座標エディタ (&C)…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "デカルト座標エディタ" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "変更を上書きしますか？" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "不正な元素名" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "元素名" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "不正な元素記号" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "元素記号" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "不正な原子ラベル。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 #, fuzzy msgid "Invalid atomic index." msgstr "不正な原子のインデックス" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "原子のインデックス" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "不正な原子番号" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "原子番号" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "不正な座標" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X座標" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y座標" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z座標" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' 格子座標" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' 格子座標" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' 格子座標" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "原子座標の編集" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "カスタム" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Turbomole 形式" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "コピー" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "InChI" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "カット" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "クリア" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "貼り付け (&P)" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "編集 (&E)" #: qtplugins/copypaste/copypaste.cpp:81 #, fuzzy #| msgid "Copy" msgid "Copy As" msgstr "コピー" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "分子を貼り付けできません: クリップボードが空です！" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "クリップボードのデータの読み取りでエラー" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "コピーと貼り付け" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2Kインプット" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "エネルギー" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "エネルギーと力" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "分子動力学" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "構造最適化" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "電子構造的手法 (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "分子力学" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "なし" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "共役勾配法" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "最急降下法" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "変更されたインプットファイルを上書きしますか？" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "CP2Kインプットファイルの保存" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "CP2Kの計算を投入" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "クリップボードから結晶構造を読み込む…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "ユニットセルを編集…" #: qtplugins/crystal/crystal.cpp:57 #, fuzzy msgid "&Wrap Atoms to Unit Cell" msgstr "原子をユニットセルに畳み込む (&W)" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "標準配向に回転 (&O)" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "セル体積を拡大縮小 (&V)…" #: qtplugins/crystal/crystal.cpp:74 #, fuzzy msgid "Build &Supercell…" msgstr "スーパーセルを構築 (&S)…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "セルを既約化 (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "結晶 (&C)" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "ユニットセルを削除 (&U)" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "ユニットセルを追加 (&U)" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "クリップボードから結晶構造を読み込む" #: qtplugins/crystal/crystal.cpp:175 #, fuzzy msgid "Wrap atoms into the unit cell." msgstr "原子をユニットセルにラップ。" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "ユニットセルを標準配向に回転。" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "結晶をNiggli縮約" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "ユニットセルは既に既約表現されています。" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "結晶" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "線の色:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "ユニットセルの境界を描画。" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "テキストを解析できません" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "ユニットセルがありません。" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "分子の双極子モーメントを描画" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "描画" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "原子を描画" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "結合を削除" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "距離:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "%1 %L2" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "エディターツール" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "自動" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "単結合" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "二重結合" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "三重結合" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "インポート (&I)" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "PDBの取得" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "PDB分子を読めません: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDBコード" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "ダウンロードする化学構造" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "不正なPDBコード" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "PDBコードは4文字でなければいけません。" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "PDBコードの最初の文字は1-9でなければなりません。" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "ネットワークダウンロードに失敗しました" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "ネットワーク・タイムアウトまたはその他のエラー" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "指定された分子が見つかりませんでした: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "PDBから取得" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "選択にフォーカス" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "フォーカスを解除" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "フォーカス" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "構造最適化" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "力" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "設定…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "選択した原子を固定" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "選択した原子の固定を解除" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "計算 (&C)" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "最適化する原子がありません" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "エネルギー: %L1" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 エネルギー= %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield optimization" msgstr "力場による最適化" #: qtplugins/forcefield/forcefield.h:50 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" msgstr "力場による最適化、スクリプトふくむ" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "自動検出 (%1)" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "Universal Force Field" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "Generalized Amber Force Field" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "Merck Molecular Force Field 94" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESS インプット" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "GAMESSインプットを生成" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "一点計算" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "平衡構造" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "遷移状態" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "振動解析" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "内殻ポテンシャル" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "気相" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "水" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "一重項" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "二重項" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "三重項" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "ジカチオン" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "カチオン" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "中性" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "アニオン" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "ジアニオン" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "GAMESSインプットファイルの保存" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "水素を調整 (&A)" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "水素を追加" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "余分な水素を削除 (&X)" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "全ての水素を削除 (&R)" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "水素 (&H)" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "水素" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "PQRを検索 (&S)…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "挿入 (&I)" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "DNA/RNAを挿入…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "ウラシル" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "チミン" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "分子を挿入…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "3D分子を生成中…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "DNAを挿入" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "分子…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "結晶…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "結晶をインポート" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "フラグメントを挿入" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "フラグメントを挿入" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "分子のフラグメントを挿入してより大きな分子を構築" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "色:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "中心からの距離:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "なし" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 #, fuzzy msgid "Index" msgstr "インデックス" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "ユニークID" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "元素" #: qtplugins/label/label.cpp:184 #, fuzzy msgid "Element & Number" msgstr "元素と番号" #: qtplugins/label/label.cpp:186 #, fuzzy msgid "Element & ID" msgstr "元素とID" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "部分電荷" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "原子のラベル:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "長さ" #: qtplugins/label/label.cpp:217 #, fuzzy msgid "Bond Label:" msgstr "結合のラベル:" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "名前" #: qtplugins/label/label.cpp:236 msgid " & " msgstr " & " #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "残基のラベル:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "ラベルの編集" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "ラベルを作成" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "ラベルエディターツール" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPSインプット" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "プレビューテキストを更新しますか？Lammpsインプットプレビュー画面での変更は失" "われます。" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "不透明度:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "操作" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 #, fuzzy msgid "Manipulate tool" msgstr "操作ツール" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "測定" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "二面角:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "角度:" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "角度:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "測定ツール" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "ポリゴンメッシュの描画" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(問い合せ中)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "不明な分子" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "性質" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "分子名" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "分子量 (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "化学式" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "原子数" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "結合数" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "残基数" #: qtplugins/molecularproperties/molecularmodel.cpp:314 #, fuzzy msgid "Number of Chains" msgstr "チェインの数" #: qtplugins/molecularproperties/molecularmodel.cpp:316 #, fuzzy msgid "Net Charge" msgstr "正味の電荷" #: qtplugins/molecularproperties/molecularmodel.cpp:318 #, fuzzy msgid "Net Spin Multiplicity" msgstr "正味のスピン多重度" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "双極子モーメント (Debye)" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "HOMOのエネルギー (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "LUMOのエネルギー (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "SOMOのエネルギー (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "全エネルギー (Hartree)" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "ゼロ点エネルギー (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "エンタルピー (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "エントロピー (kcal/mol•K)" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "ギブズ自由エネルギー (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "点群" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy #| msgid "Molecular Graph..." msgid "&Molecular…" msgstr "分子 (&M)…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "解析 (&A)" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "プロパティ (&P)" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "分子の性質" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "分子の性質" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "CSVをエクスポート" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSVファイル (*.csv);;全てのファイル (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "ファイルを書き込みモードで開けません。" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "ファイルの書き込みでエラー" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "エクスポート…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "ナビゲーション" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 #, fuzzy msgid "Rotate the scene along the x, y, or z axes." msgstr "シーンをx、yまたはz軸にそって回転" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "シーンをズーム" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "シーンを平行移動。" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "スクロールによるズームの方向を逆にする" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "ナビゲーションツール" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "化学名" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "ネットワークデータベース" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "角度の許容値:" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "ハロゲン" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "カルコゲン" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "力場の設定…" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "配座異性体探索…" #: qtplugins/openbabel/openbabel.cpp:65 #, fuzzy msgid "Perceive Bonds" msgstr "結合情報を読み込む" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "pHを指定して水素を付加…" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "水素を取り除く" #: qtplugins/openbabel/openbabel.cpp:94 #, fuzzy, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1が見つかりません！Open Babelプラグインアクションを無効にしています。" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "構造最適化 (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 #, fuzzy msgid "Generating…" msgstr "生成中…" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "分子を更新中…" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "不正な分子。配座異性体を生成できません。" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "Open Babelで配座異性体を生成できません。" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "配座異性体を生成中 (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "配座異性体の生成" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "水素を追加 (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "Open Babelインプットを生成中…" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "%1実行中…" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "pHを指定して水素を付加" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "obabelインプットを生成中…" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "水素を取り除く (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "obabelの出力を読み込み中…" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "&OpenMMスクリプト…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "プレビューテキストを更新しますか？OpenMMインプットプレビュー画面での変更は失" "われます。" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 #, fuzzy msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 #, fuzzy msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 #, fuzzy msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 #, fuzzy msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 #, fuzzy msgid "top" msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 #, fuzzy msgid "True" msgstr "True" #: qtplugins/overlayaxes/overlayaxes.cpp:237 #, fuzzy msgid "Reference Axes" msgstr "参照軸" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "アニメーションツール \t(%1)" #: qtplugins/playertool/playertool.cpp:74 #, fuzzy msgid "Play" msgstr "再生" #: qtplugins/playertool/playertool.cpp:77 #, fuzzy msgid "Stop" msgstr "停止" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "フレームレート:" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "フレーム:" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 #, fuzzy msgid "Dynamic bonding?" msgstr "動的結合？" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "動画 (*.mp4)" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "動画 (*.mp4);;動画 (*.avi);;GIF(*.gif)" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "動画 (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "ファイル %1 を保存できません。" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "エラーメッセージ： " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "理論的なXRDパターンをプロット…" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "エラー: " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "更新" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "バージョン" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 #, fuzzy msgid "Description" msgstr "記述" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "プラグインデータのダウンロードでエラー" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #, fuzzy msgid "Error parsing plugin data." msgstr "プラグインデータの解析でエラー" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "このプラグインを使うには特定のパッケージをインストールする必要があります。\n" "インストールしますか？" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 #, fuzzy msgid "Always" msgstr "常に" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "%1からのダウンロードに失敗: 終了コード%2、%3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "%1を%2にダウンロード中\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "伸長に成功\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "伸長でエラー: %1" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 #, fuzzy msgid "Download Plugins…" msgstr "プラグインのダウンロード…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "プラグインのダウンロード" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "GitHubレポジトリーからプラグインをダウンロード" #: qtplugins/ply/ply.cpp:29 #, fuzzy #| msgid "Render:" msgid "PLY Render…" msgstr "PLY描画…" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "ファイルを保存" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY(*.ply);;テキストファイル(*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 #, fuzzy msgid "Render the scene using PLY." msgstr "PLYによりシーンを描画" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray(*.pov);;テキストファイル(*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "原子価" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "形式電荷" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "%1部分電荷" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "ラベル" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "色" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "原子" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "タイプ" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "始めの原子" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "終わりの原子" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "結合次数" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "長さ (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 #, fuzzy msgid "Chain" msgstr "チェーン" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "二次構造" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "原子1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "頂点" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "原子3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "角度 (°)" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "原子2" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "原子4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "エネルギー (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "フラグメントを調整" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "πヘリックス" #: qtplugins/propertytables/propertymodel.cpp:935 #, fuzzy msgctxt "protein bend secondary structure" msgid "Bend" msgstr "屈曲" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "αヘリックス" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "βシート" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 ヘリックス" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "βブリッジ" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "原子のプロパティ…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "結合のプロパティ…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "角度のプロパティ…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "二面角のプロパティ…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "残基のプロパティ…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "配座異性体のプロパティ…" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "原子、結合、角度、二面角のプロパティを表示・編集する表" #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "プロパティ表" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "原子のプロパティ" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "結合のプロパティ" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "角度のプロパティ" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "二面角のプロパティ" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "配座異性体のプロパティ" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "残基のプロパティ" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "QTAIMプロパティを使用してプリミティブを表示" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "分子グラフ…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "孤立対付きの分子グラフ…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "原子電荷…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "WFNファイルを開く" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFNファイル (*.wfn);;全てのファイル (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIMエクステンション" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "ビューを軸にそろえる" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "ビューを軸にそろえる。" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "ビューのリセット" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 #, fuzzy #| msgid "Charge:" msgid "Script Charge Models" msgstr "電荷モデルのスクリプト" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "全て選択" #: qtplugins/select/select.cpp:37 #, fuzzy msgid "Select None" msgstr "選択の解除" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 #, fuzzy msgid "Invert Selection" msgstr "選択/非選択を反転" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "元素による選択…" #: qtplugins/select/select.cpp:58 #, fuzzy msgid "Select by Atom Index…" msgstr "原子のインデックスによる選択…" #: qtplugins/select/select.cpp:63 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Residue…" msgstr "残基による選択…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 #, fuzzy msgid "Select Sidechain Atoms…" msgstr "側鎖の原子を選択…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "水を選択" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "選択を拡大" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "選択を縮小" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "選択 (&S)" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "元素を選択" #: qtplugins/select/select.cpp:269 #, fuzzy msgid "Select Backbone" msgstr "バックボーンを選択" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "側鎖を選択" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "選択する原子:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "原子を選択" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "選択する残基:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "残基を選択" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "選択" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "選択" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 #, fuzzy msgid "Paint Atoms" msgstr "原子をペイント" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "選択ツール" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "新しいレイヤー" #: qtplugins/spacegroup/spacegroup.cpp:50 #, fuzzy msgid "Perceive Space Group…" msgstr "空間群を検出…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "対称化" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "非対称要素に縮約" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "許容値を設定…" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "空間群" #: qtplugins/spacegroup/spacegroup.cpp:112 #, fuzzy msgid "Fill symmetric atoms based on the crystal space group." msgstr "結晶の空間群に基づいて対称な原子を追加" #: qtplugins/spacegroup/spacegroup.cpp:187 #, fuzzy msgid "Perceive Space Group" msgstr "空間群を検出" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "空間群が次のものに設定されています: %1.\n" "上書きしますか？" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "失敗" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "空間群の検出に失敗しました。\n" "許容値を変更して再試行しますか？" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "許容値を Å で選択:" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "国際記号" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "Hall記号" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "ヘルマン・モーガン記号" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "空間群を選択" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "空間群" #: qtplugins/spacegroup/spacegroup.h:70 #, fuzzy msgid "Space group features for crystals." msgstr "結晶の空間群特性" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "スペクトルをプロット…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "スペクトル" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "スペクトルプロットを表示" #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "赤外" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "ラマン" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "電子" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "円二色性" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "状態密度" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "背景色の選択" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "表示色の選択" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "計算したスペクトルの色を選択" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "インポートされたスペクトルの色を選択" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "波長 (nm)" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "振動スペクトル" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "波数 (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "透過" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "ラマンスペクトル" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "強度" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "NMRスペクトル" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "化学シフト (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "電子スペクトル" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "エネルギー (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "円二色性スペクトル" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "密度" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "分子軌道…" #: qtplugins/surfaces/orbitals.h:48 #, fuzzy msgid "Orbital Window" msgstr "軌道ウィンドウ" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "軌道の一覧を表示" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "軌道" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "対称性" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "状態" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "分子軌道" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "分子軌道" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "電子密度" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "スピン密度" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "第%L1分子軌道" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "表面を作成…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "ファンデルワールス表面を描画。" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "ファンデルワールス分子表面を描画。" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "分子軌道を描画。" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "電子密度を描画。" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "スピン密度を描画。" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "電子密度を計算中" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "スピン密度を計算中" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "第%L1分子軌道を計算中" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "動画 AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "動画のエクスポート" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "表面" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "シーンをSVGファイルに描画" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "クラス" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "対称性…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "対称要素を描画。" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "群%1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "テンプレート" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "クリップボード" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "テンプレートを挿入" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "リガンドを挿入" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "テンプレートツール" #: qtplugins/vanderwaals/vanderwaals.h:33 #, fuzzy msgid "Simple display of VdW spheres." msgstr "VdW 球の簡単な表示" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "振動モード…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "振動モードのダイアログを表示。" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "振動モードを設定。" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "振動の振幅を設定。" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "振動のアニメーションを開始。" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "振動のアニメーションを停止。" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "振動" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "振動モードを表示。" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML(*.wrl);;テキストファイル(*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "分子をワイヤーフレームとして描画" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "バンド構造の計算…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "バンド%1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "フェルミ準位" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "Yaehmopが見つかりません" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "エラー: %1 の開始に失敗" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "Yaehmop インプット" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "yaehmop で拡張ヒュッケル計算を行う" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "ダイアログ" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "フォーム" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "計算設定" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "リセット" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "計算を投入…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "インプットを保存…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) #, fuzzy msgid "Refresh" msgstr "更新" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" "

      このジョブで予約するプロセッサ数

      " #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "プロセッサコア:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "進捗の通知を表示:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "フラグメントを挿入…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "フィルター:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "ファイル名 (またはその一部) を入力 (マッチするファイルのみ表示)" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "挿入" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "3DMol HTMLスニペット" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "クリップボードにコピー（&C）" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB ファイル:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "力場:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "PDB2PQR を実行" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR ファイル:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "APBS インプットファイル" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "インプットファイルを保存" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "APBSを実行" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "成功しました！" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "構造ファイルをロード" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "キューブファイルをロード" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "部分電荷" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "電荷モデル:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "距離の許容値:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "最小距離:" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "環境名:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "環境:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "座標エディタ" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "プリセット:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "距離の単位:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "オングストローム" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "ボーア" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "書式:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "ヘルプ…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "貼り付け" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) #, fuzzy msgid "Revert" msgstr "変更を破棄" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "適用" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2K インプット" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "すべてリセット" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "デフォルト" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "ファイルを保存…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "基本セットアップ (&B)" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "タイトル:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "ジョブ" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "計算:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "手法:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "基底関数:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "汎関数" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) #, fuzzy msgid "TRUE" msgstr "TRUE" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "スーパーセルのパラメータ" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "スーパーセルのオプション" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A 繰り返し:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B 繰り返し:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C 繰り返し:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "ユニットセルエディタ" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "原子の並進 (&T)" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "適用 (&A)" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) #, fuzzy msgid "&Revert" msgstr "変更の差し戻し(&R)" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "隠す (&H)" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "体積を指定してユニットセルを拡大縮小" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "New &Volume:" msgstr "新しい体積(&V):" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "スケーリングファクター(&S):" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "現在の体積:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "テキストラベル" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "結合次数:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "構造最適化パラメータ" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "収束条件" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "エネルギーの収束:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " ステップ" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "勾配の収束:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "構造最適化法" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "力場:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "自動検出" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS インプット" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "状態:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "多重度:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "モデル:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "電荷:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "PQRからインポート…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "検索" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "名前" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "タグ" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "式" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "式:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "ダウンロード" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "名前:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "核酸を挿入" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "DNA/RNAビルダー" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "核酸:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "アデニン" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "シトシン" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "グアニン" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "配列:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "1ヘリックスターンの塩基対の数" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "その他" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "1ターンの塩基数:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "ストランド:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "一本鎖" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "二本鎖" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPS インプット" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "シミュレーションで用いる単位形式を選択" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "単位" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj(無次元)" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "real" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "電子" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "水ポテンシャル" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "データファイルで使用する原子形式 (atom_style) を選択" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "原子形式" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "角度" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomic" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "bond" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "charge" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "双極子" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "ellipsoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "full" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molecular" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "sphere" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "wavepacket" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "座標ファイル名を指定" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "アンサンブル" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "温度" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "NVTアンサンブルで能勢-フーバーチェインの数を選択" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "NH チェーン" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "シミュレーションの 1ステップ時間 (「単位」で指定した単位)" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "タイムステップ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "シミュレーション中の書き込みに使用する XYZ ファイル名" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "XYZ をダンプ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "系の次元数" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "次元" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Z 境界スタイルを変更" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "fm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Y 境界スタイルを変更" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "X 境界スタイルを変更" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "X, Y, Z 方向の境界スタイルを選択" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "境界" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "X, Y, Z 方向の複製数" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "複製" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "X 方向の複製数" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Y 方向の複製数" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Z 方向の複製数" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "シミュレーションの全タイムステップ数" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "総ステップ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "ダンプ間隔" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "シミュレーションする原子の初期速度をセット" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "初期速度" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "原子の初期速度の分布を選択" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "ガウス分布" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "一様分布" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "この温度に適合するように原子の初期速度をセット" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) #, fuzzy msgid "Remove system linear momentum from initial velocities." msgstr "初期速度から系の並進運動量を除去" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "並進運動量をゼロにする" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "系の角運動量を除去するように初期速度をセット" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "角運動量をゼロにする" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "シミュレーション中の熱力学量の出力を制御" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "出力" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "出力間隔" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "熱力学量の出力形式" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "単一行 (要約)" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "複数行" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "フォームを使用" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "生成…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "記述子:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "並進操作の距離:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "回転軸:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "原点" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "分子の中心" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "選択の中心" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X軸" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y軸" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z軸" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) #, fuzzy msgid "Move:" msgstr "移動:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "選択した原子" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) #, fuzzy msgid "Everything Else" msgstr "それ以外すべて" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "配座異性体探索" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "方法" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "配座異性体の数:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "体系的回転異性体探索" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "乱数的回転異性体探索" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "重みつきの回転異性体探索" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "遺伝的回転異性体探索" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "配座異性体ごとの最適化:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "遺伝的アルゴリズムオプション" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "各親構造に対する子の数" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "子:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "変異頻度 (低いほど高頻度で変異)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "突然変異性:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy #| msgid "Convergers" msgid "Convergence:" msgstr "収束性:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "スコアリング法:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "RMSD" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "最適化アルゴリズム:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "最急降下法" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "共役勾配法" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "ニュートン法" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "非結合性の相互作用を制限" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "ファンデルワールス力のカットオフ距離:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "静電力のカットオフ距離:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "Å" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "ジョブスクリプト:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "スクリプト" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "力場:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "プラットホーム:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "参照" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "精度:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "単精度" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "混合精度" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "倍精度" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "拘束条件:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #, fuzzy msgid "False" msgstr "False" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr " nm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "ランダムな初期速度:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "生成温度:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "積分器:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "時間幅:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr " fs" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) #, fuzzy msgid "Collision rate:" msgstr "衝突速度:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "/ps" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "温度:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "モンテカルロ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "圧力:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr " atm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) #, fuzzy msgid "Equilibration Steps:" msgstr "平衡化ステップ:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) #, fuzzy msgid "Minimize?" msgstr "最小化？" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "時間" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "速さ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "進捗" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "ポテンシャルエネルギー" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "運動エネルギー" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "全エネルギー" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "体積" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "点の数:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "ピーク幅:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "波長:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" "

      X線の波長（単位オングストローム）。

      デフォルト: " "1.50560 Å

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "臨界点半径:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "結合パス半径:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "共有結合" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "一定サイズ" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "スペクトルの可視化" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy #| msgid "Scale &Factor:" msgid "Scale Factor:" msgstr "スケール因子:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "X軸の最小値:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "X軸の最大値:" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "オフセット:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "Y軸の最大値:" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "Y軸の最小値:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "ピーク幅:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "ピークの閾値:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "単位:" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "外観(&A)" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "表示" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "実験スペクトルのtsvをインポートしてプロットに重ね描きする。" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "インポート(&I)…" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "色を設定..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "インポートされたスペクトル:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "エクスポート(&E)..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "背景:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "計算されたスペクトル:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "フォントサイズ:" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "線幅:" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "データのエクスポート" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "閉じる(&C)" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "オプション (&O)…" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "コントロール:\n" "左ダブルクリック: デフォルトの軸端点を保持\n" "右クリック + ドラッグ: プロットを移動\n" "中央クリック + ドラッグ: ズーム\n" "ホイールをスクロール: カーソルへズーム" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "データのロード(&L)..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "画質: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "最低" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "低" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "中" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "高" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "最高" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) #, fuzzy msgid "Render" msgstr "描画" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) #, fuzzy msgid "Configure" msgstr "設定" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "表面を作成する" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "表面:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "静電ポテンシャル" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "解像度:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "等値面の値:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "平滑化:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #, fuzzy msgid "Light" msgstr "軽" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #, fuzzy msgid "Strong" msgstr "強" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "計算" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "分子" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "対称性により等価な原子:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "対称性を固定" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "操作" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "対称要素:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "部分群" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "部分群:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "許容値:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "中" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "対称性を検出" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "中心" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "形式電荷:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "0" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "+1" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "+2" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "+3" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "+4" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "+5" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "+6" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "+7" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) #, fuzzy #| msgid "Coordinate editor" msgid "Coordination:" msgstr "配位:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: 八面体" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: 直線形" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: 直線形" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: 平面三角形" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: 四面体形" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: 平面四角形" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: 三方両錐形" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: 四角錐形" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: 三角柱形" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: 五方両錐形" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: 反四角柱形" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "リガンド" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "タイプ:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "単座" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "二座" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "三座" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "四座" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "六座" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "クリップボードから" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "リガンド:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "官能基" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "官能基:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "アミド" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "カルボン酸" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "エステル" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "エチレン" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "エチン" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "ニトロ" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "フェニル" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "リン酸" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "スルホン酸" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "振動モード" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "振幅:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "アニメーションを開始" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "アニメーションを停止" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "yの最小値: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) #, fuzzy msgid "Zero Fermi?" msgstr "Fermiを0にしますか？" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Special k-points" msgstr "特殊なk点" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "yの最大値: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "

      フェルミ準位

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) #, fuzzy #| msgid "" #| "\n" #| "\n" #| "

      " msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "yの範囲を制限しますか？" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Number of Bonds:" msgid "Number of Dimensions:" msgstr "次元数:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Andrzej MoST (Marcin Ostajewski),Geoff Hutchison, ," "Launchpad Contributions:,Avogadro Team,Geoff Hutchison, ,Launchpad " "Contributions:,Avogadro Team,Geoff Hutchison,tomo, ,Launchpad Contributions:," "Avogadro Team,Geoff Hutchison,tomo, ,Launchpad Contributions:,Avogadro Team," "Geoff Hutchison,hide D,tomo, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,hide D,tomo, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,hide D,tomo, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,hide D,tomo, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,hide D,tomo, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,hide D,tomo, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,Katsuhiko Nishimra,Kenichi Ito,Rubia,aoyama iwao,hide D,tomo, ," "Launchpad Contributions:,Avogadro Team,Geoff Hutchison,Katsuhiko Nishimra," "Kenichi Ito,Rubia,aoyama iwao,hide D,tomo, ,Launchpad Contributions:," "Avogadro Team,Geoff Hutchison,Katsuhiko Nishimra,Kenichi Ito,Rubia,aoyama " "iwao,hide D,tomo" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,,,avogadro-devel@lists.sourceforge.net,,,,avogadro-devel@lists." "sourceforge.net,,,,,avogadro-devel@lists.sourceforge.net,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,,avogadro-devel@lists.sourceforge.net,,,,,," "avogadro-devel@lists.sourceforge.net,,,,,,avogadro-devel@lists.sourceforge." "net,,,,,,avogadro-devel@lists.sourceforge.net,,,,,,avogadro-devel@lists." "sourceforge.net,,,,,,avogadro-devel@lists.sourceforge.net,,ktns.87@gmail.com," "ken.i54k@gmail.com,,iwao.aoyama@gmail.com,,,,,avogadro-devel@lists." "sourceforge.net,,ktns.87@gmail.com,ken.i54k@gmail.com,,iwao.aoyama@gmail." "com,,,,,avogadro-devel@lists.sourceforge.net,,ktns.87@gmail.com,ken." "i54k@gmail.com,,iwao.aoyama@gmail.com,," #~ msgid "eV" #~ msgstr "eV" #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "部分電荷" #, fuzzy #~| msgid "" #~| "Bond Centric Manipulation Tool\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view.\n" #~| "\n" #~| "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~| "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~| "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "結合中心操作ツール\n" #~ "\n" #~ "左クリック: \n" #~ "中クリック: \n" #~ "右クリック: \n" #~ "ダブルクリック: 表示をリセット\n" #~ "\n" #~ "結合を左クリック&ドラッグで操作平面を選択:\n" #~ "原子を左クリック&ドラッグで結合角を変更\n" #~ "原子を右クリック&ドラッグで結合長を変更" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "描画ツール\n" #~ "\n" #~ "左クリック: \tクリック&ドラッグで原子・結合を作成\n" #~ "右クリック: \t原子を削除" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "測定ツール\n" #~ "\n" #~ "左クリック: 原子を4つまで選択します。\n" #~ "\t1-2および2-3の距離を測定します。\n" #~ "\t2から見た1と3の間の角度を測定します。\n" #~ "\t1-2-3-4の二面角\n" #~ "右クリック: 測定をリセットします。" #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "ナビゲーションツール\n" #~ "\n" #~ "左クリック: クリック&ドラッグで表示領域を回転\n" #~ "中クリック: クリック&ドラッグでズームイン・ズームアウト\n" #~ "右クリック: クリック&ドラッグで表示領域を移動\n" #~ msgid "Animation Tool" #~ msgstr "アニメーションツール" #, fuzzy #~| msgid "" #~| "Selection Tool (F11)\n" #~| "\n" #~| "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~| "\tDrag to select a range of atoms\n" #~| "Right Mouse: \tClick outside the molecule to clear selection\n" #~| "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~| "Double-Click: \tSelect an entire fragment." #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "選択ツール\n" #~ "\n" #~ "左クリック: \tクリックして原子・残基・フラグメントを選択\n" #~ "\tドラッグして領域を指定して原子を選択\n" #~ "右クリック: \t分子のない場所をクリックして選択をリセット\n" #~ "Ctrlキー・Shiftキーで原子を追加選択\n" #~ "ダブルクリック: \tフラグメント全体を選択" #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "ファンデルワールス (AO)" #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "操作ツール\n" #~ "\n" #~ "左クリック: クリック&ドラッグで原子を移動\n" #~ "右クリック: クリック&ドラッグで選択した原子を回転\n" #~ msgid "Geometry" #~ msgstr "構造" #~ msgid "Add Unit Cell" #~ msgstr "ユニットセルを追加" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "原子のインデックス" #, fuzzy #~ msgid "By Distance" #~ msgstr "距離" #, fuzzy #~ msgid "Select Water…" #~ msgstr "水を選択…" #~ msgid "&Copy" #~ msgstr "コピー (&C)" #~ msgid "Molecule Name:" #~ msgstr "分子名:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "分子量 (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "化学式:" #~ msgid "Number of Atoms:" #~ msgstr "原子数:" #~ msgid "Number of Bonds:" #~ msgstr "結合数:" #~ msgid "TODO" #~ msgstr "TODO" #, fuzzy #~| msgid "Line width:" #~ msgid "Line Size:" #~ msgstr "線幅:" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "構造最適化" #~ msgid "Fragment…" #~ msgstr "フラグメント…" #, fuzzy #~| msgid "Functional" #~ msgid "Functional Groups" #~ msgstr "汎関数" #~ msgid "Help..." #~ msgstr "ヘルプ..." #~ msgid "Save File..." #~ msgstr "ファイルの保存" #~ msgid "Other..." #~ msgstr "その他..." #~ msgid "S&erver" #~ msgstr "サーバ (&E)" #~ msgid "Connection failed" #~ msgstr "接続に失敗しました" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*.%1" #~ msgid "Client server" #~ msgstr "クライアントサーバ" #~ msgid "Connection refused" #~ msgstr "接続が拒否されました" #~ msgid "Filename" #~ msgstr "ファイル名" #~ msgid "Formula" #~ msgstr "化学式" #~ msgid "InChIKey" #~ msgstr "InChIKey" #~ msgid "YAeHMOP Band Structure" #~ msgstr "YAeHMOPバンド構造" #~ msgid "Server settings" #~ msgstr "サーバ設定" #~ msgid "&Hostname:" #~ msgstr "ホスト名 (&H):" #~ msgid "Port" #~ msgstr "ポート" #~ msgid "Test C&onnection..." #~ msgstr "接続のテスト (&O)" #~ msgid "File name:" #~ msgstr "ファイル名:" #~ msgid "OK" #~ msgstr "OK" #~ msgid "Cancel" #~ msgstr "キャンセル" #~ msgid "http://localhost:8080/api/v1" #~ msgstr "http://localhost:8080/api/v1" #~ msgid "Config" #~ msgstr "設定" #~ msgid "Upload" #~ msgstr "アップロード" #~ msgid "Docker" #~ msgstr "Docker" #~ msgid "Singularity" #~ msgstr "Singularity" #~ msgid "openchemistry/psi4:latest" #~ msgstr "openchemistry/psi4:latest" #~ msgid "All files (*);;" #~ msgstr "すべてのファイル (*);;" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "菱面体晶" #~ msgid "Layer" #~ msgstr "レイヤー" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "分子を挿入..." #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "3D分子を生成中..." #, fuzzy #~ msgid "Run APBS..." #~ msgstr "APBSを実行" #, fuzzy #~ msgid "Edit Unit Cell..." #~ msgstr "ユニットセルの編集" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #~ msgid "Fragment..." #~ msgstr "フラグメント..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "結晶..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "pHを指定して水素を付加..." #~ msgid "Atom Properties..." #~ msgstr "原子のプロパティ..." #~ msgid "Bond Properties..." #~ msgstr "結合のプロパティ..." #~ msgid "Angle Properties..." #~ msgstr "角度のプロパティ..." #~ msgid "Torsion Properties..." #~ msgstr "二面角のプロパティ..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "分子の性質..." #~ msgid "Create Surfaces..." #~ msgstr "サーフェスを作成..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "対称性" #~ msgid "Ctrl+E" #~ msgstr "Ctrl+E" #~ msgid "Insert Fragment..." #~ msgstr "フラグメントを挿入..." #~ msgid "Theory:" #~ msgstr "理論:" #~ msgid "Distance: %L1 Å" #~ msgstr "距離: %L1 Å" #~ msgid "&LAMMPS Input" #~ msgstr "LAMMPSインプット (&L)" #~ msgid "Reset to Default Values" #~ msgstr "デフォルト値に戻す" #~ msgid "Rotatable" #~ msgstr "回転可能" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "配座 %1\n" #~ "長さ %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "配座 %1\n" #~ "角度 %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "角度 %1" #~ msgid "Angle" #~ msgstr "角度" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "配座 %1\n" #~ "二面角 %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "二面角 %1" #~ msgid "Torsion" #~ msgstr "二面角" #~ msgid "Energy (kJ/mol)" #~ msgstr "エネルギー (kJ/mol)" #~ msgid "Yes" #~ msgstr "はい" #~ msgid "No" #~ msgstr "いいえ" #, fuzzy #~ msgid "Input Generators" #~ msgstr "インプットファイルを作る..." #, fuzzy #~ msgid "Import" #~ msgstr "インポート" #~ msgid "Insert SMILES" #~ msgstr "SMILESを挿入" #~ msgid "Insert SMILES fragment:" #~ msgstr "SMILIESフラグメントを挿入" #~ msgid "Insert Crystal" #~ msgstr "結晶を挿入" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "分子のフラグメントを挿入してより大きな分子を構築" #~ msgid "E&xtensions" #~ msgstr "エクステンション(&x)" #~ msgid "Symmetry Properties..." #~ msgstr "対称性の性質..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&ジオメトリ最適化" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "構造最適化" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "水素を追加" #, fuzzy #~ msgid "Stopped" #~ msgstr "ストップ" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "サーフェス" #~ msgid "Color by Index" #~ msgstr "インデックスによるカラー" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "インデックスによるカラー ( 赤, 橙, 黄, 緑, 青, 紫 )" #~ msgid "Color by Partial Charge" #~ msgstr "部分電荷によるカラー" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "原子部分電荷に基づく彩色（青：正電荷、赤：負電荷）" #~ msgid "Custom Color:" #~ msgstr "カスタムカラー:" #~ msgid "Set custom colors for objects" #~ msgstr "オブジェクトのカスタムカラーを設定" #~ msgid "Color by Distance" #~ msgstr "距離による色付け" #~ msgid "Color by distance from the first atom." #~ msgstr "第一原子からの距離による色付け" #~ msgid "Color by Element" #~ msgstr "元素による色付け" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "元素による色付け ( 炭素 = グレー, 酸素 = 赤, ... )" #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "残基による色付け ( アミノ酸タイプ, 疎水性, ... )" #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTSパターン:" #~ msgid "Highlight Color:" #~ msgstr "強調表示色:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "SMARTSパターンによる色付け" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "SMARTSパターンに一致するものをハイライト" #~ msgid "Ununtrium" #~ msgstr "ウンウントリウム (Ununtrium)" #~ msgid "Ununpentium" #~ msgstr "ウンウンペンチウム (Ununpentium)" #~ msgid "Ununseptium" #~ msgstr "ウンウンセプチウム (Ununseptium)" #~ msgid "Ununoctium" #~ msgstr "ウンウンオクチウム (Ununoctium)" #~ msgid "Engines" #~ msgstr "エンジン" #~ msgid "Axes" #~ msgstr "軸" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "原点に x, y, z 軸を表示" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "ボール ( 原子 ) とスティック ( 結合 ) で基本要素を表示" #~ msgid "Dipole" #~ msgstr "双極子" #~ msgid "Hydrogen Bond" #~ msgstr "水素結合" #~ msgid "Renders hydrogen bonds" #~ msgstr "水素結合を表示" #~ msgid "Select Atom Labels Color" #~ msgstr "原子ラベルの色を選択" #~ msgid "Select Bond Labels Color" #~ msgstr "結合ラベルの色を選択" #~ msgid "Select Bond Labels Font" #~ msgstr "結合ラベルのフォントを選択" #~ msgid "Polygon" #~ msgstr "ポリゴン" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "原子を四面体, 八面体, その他ポリゴンで表示" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "タンパク質バックボーンをリボン表示" #~ msgid "Ring" #~ msgstr "リング" #~ msgid "Renders rings with colored planes" #~ msgstr "色付平面と共にリングを表示" #~ msgid "Simple Wireframe" #~ msgstr "シンプル・ワイヤフレーム" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "結合をワイヤ ( 直線 ) で表示, 巨大分子に最適" #~ msgid "Van der Waals Spheres" #~ msgstr "ファンデルワールス球" #~ msgid "Stick" #~ msgstr "スティック" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "電子密度, 等値面 = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, 等値面 = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "結合をワイヤ ( 直線 ) で表示, 巨大 ( 生体 ) 分子に最適" #~ msgid "Trajectory files" #~ msgstr "トラジェクトリファイル" #~ msgid "DL-POLY HISTORY files" #~ msgstr "DL-POLY HISTORYファイル" #~ msgid "Open Trajectory File" #~ msgstr "トラジェクトリファイルを開く" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "拡張子 .avi を追加" #~ msgid "Animation..." #~ msgstr "アニメーション ...." #~ msgid "Cannot read file format of file %1." #~ msgstr "ファイル %1 のファイル形式を読めません" #~ msgid "Read trajectory file %1 failed." #~ msgstr "トラジェクトリファイル %1 の読み込みに失敗しました" #~ msgid "Must specify a valid .avi file name" #~ msgstr "有効な .avi ファイル名を指定してください" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "動画を保存するための、GLウィジェットが正しく初期化されませんでした" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "無効な動画ファイル名. ディレクトリの完全パスを含める必要があります" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "無効な動画ファイル名. .avi で終了するディレクトリの完全パスを含める必要が" #~ "あります" #~ msgid "Could not determine format from filename: %1" #~ msgstr "ファイル名からフォーマットを特定できません : %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "トラジェクトリ, 反応, 振動をアニメーションで表示" #~ msgid "Cartesian Editor" #~ msgstr "カルテシアン座標エディタ" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "分子のユニットセルが定義されていません。 -- フラクショナル座標を使用できま" #~ "せん。" #~ msgid "Cartesian Editor..." #~ msgstr "カルテシアンエディタ..." #~ msgid "Cartesian editor" #~ msgstr "カルテシアンエディタ" #~ msgid "Number of atoms: %1" #~ msgstr "原子数 : %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "回転可能な結合数 : %1" #~ msgid "Add constraint" #~ msgstr "拘束条件を追加" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "対象とする分子の少なくとも1つの原子に1つの拘束条件を追加する必要があります" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "対象とする分子の少なくとも2つの原子に1つの結合拘束条件を追加する必要があり" #~ "ます" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "対象とする分子の少なくとも3つの原子に1つの角度拘束条件を追加する必要があり" #~ "ます" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "対象とする分子の少なくとも4つの原子に1つのねじれ角拘束条件を追加する必要が" #~ "あります" #~ msgid "&Crystallography" #~ msgstr "結晶(&C)" #~ msgid "&Reduce" #~ msgstr "リデュース(&R)" #~ msgid "&Length Unit" #~ msgstr "長さの単位(&L)" #~ msgid "&Angle Unit" #~ msgstr "角度の単位(&A)" #~ msgid "&Coordinate Display" #~ msgstr "座標の表示方法(&C)" #~ msgid "Coordinate &Preservation" #~ msgstr "座標の保存方法(&P)" #~ msgid "&Matrix Display" #~ msgstr "行列の表示方法(&M)" #~ msgid "Hide &Editors" #~ msgstr "エディタを隠す(&E)" #~ msgid "Show &Editors" #~ msgstr "エディタを表示(&E)" #~ msgid "Hide &Property Display" #~ msgstr "プロパティディスプレイを隠す(&P)" #~ msgid "Show &Property Display" #~ msgstr "プロパティディスプレイを表示(&P)" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "格子タイプ: %1" #~ msgid "Spacegroup: %1" #~ msgstr "空間群: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "ユニットセル体積: %L1%2" #~ msgid "Undefined" #~ msgstr "未定義" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "三斜晶" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "単斜晶" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "斜方晶" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "正方晶" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "六方晶" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "立方晶" #~ msgid "Paste Crystal" #~ msgstr "結晶を貼り付け" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Niggli既約化に失敗しました。入力された格子構造はNiggli既約化アルゴリズムに" #~ "適しません。少し(許容値の二つ下のオーダー程度)構造を乱して再度試してみてく" #~ "ださい。" #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "1000回計算しましたが、セルの既約化に失敗しました。停止します。" #~ msgid "Rotate To Standard &Orientation" #~ msgstr "標準配向へ回転(&O)" #~ msgid "&Slab..." #~ msgstr "スラブ(&S)" #~ msgid "Perceive Space&group..." #~ msgstr "空間群を検出(&G)..." #~ msgid "Set &Spacegroup..." #~ msgstr "空間群を設定(&S)" #~ msgid "&Fill Unit Cell" #~ msgstr "単位胞を構成(&F)" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "現在の空間群を元に単位胞を構成" #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "非対称要素に縮約(&A)" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "同等の位置にある原子を削除します(単位胞を構成と逆の操作)。" #~ msgid "Sy&mmetrize Crystal" #~ msgstr "結晶を対称化(&M)" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "セルを既約化(&Primitive)" #~ msgid "&Bohr" #~ msgstr "ボーア(&B)" #~ msgid "&Nanometer" #~ msgstr "ナノメートル(&N)" #~ msgid "&Picometer" #~ msgstr "ピコメートル(&P)" #~ msgid "&Degree" #~ msgstr "度(&D)" #~ msgid "&Radian" #~ msgstr "ラジアン(&R)" #~ msgid "Display &cartesian coordinates" #~ msgstr "デカルト座標を表示(&C)" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "セルの変更時にデカルト座標を保存(&C)" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "セルの変更時にフラクショナル座標を保存(&F)" #~ msgid "Display &cartesian matrix" #~ msgstr "行列をデカルト座標表示(&C)" #~ msgid "Display &fractional matrix" #~ msgstr "行列をフラクショナル座標表示(&C)" #~ msgid "Display as &column vectors" #~ msgstr "列ベクトル表示(&C)" #~ msgid "&Crystal View Options..." #~ msgstr "結晶表示オプション(&C)..." #~ msgid "" #~ "

      Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

      Cell can be symmetrized into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

      " #~ msgstr "" #~ "

      検出された空間群 %1, Hall記法 %2, ヘルマン・モーガン記号 %3

      セルは" #~ "標準的な構造に対称化できます。実行しますか？対称性を利用する操作 (例:スー" #~ "パーセルビルダ) のために必要です。

      " #~ msgid "Set Spacegroup" #~ msgstr "空間群をセット" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "このドキュメントに空間群は指定されていません。\n" #~ "\n" #~ "空間群をセットしますか？" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "P1空間群を検出しました。この空間群に対称化することはできません。\n" #~ "\n" #~ "許容値を変更して再試行しますか？" #~ msgid "Symmetrize Crystal" #~ msgstr "結晶を対称化" #~ msgid "Wrap Atoms To Cell" #~ msgstr "セル内に原子を折り返す" #~ msgid "Reduce to Niggli Cell" #~ msgstr "セルをNiggli既約化" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "現在のデカルト座標系単位で許容値を選択:" #~ msgid "Crystallography" #~ msgstr "結晶" #~ msgid "Construct and analyze periodic structures." #~ msgstr "周期構造を構成・解析" #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "このインプットは以下に示すサポートされている\n" #~ "フォーマットのどれにも合致しません。\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "VASPフォーマット\n" #~ msgid "Bad Compostion" #~ msgstr "不正な組成式" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "IdentityフィールドはPOSCARの6行目と同じ数だけのエントリをスペース区切りで" #~ "含まなければなりません。" #~ msgid "Cartesian Coordinates" #~ msgstr "デカルト座標" #~ msgid "Fractional Coordinates" #~ msgstr "フラクショナル座標" #~ msgid "Set Fractional Coordinates" #~ msgstr "フラクショナル座標をセット" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "セル行列(%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "ユニットセル行列をセット" #~ msgid "Set Unit Cell Params" #~ msgstr "ユニットセルのパラメータをセット" #~ msgid "Working..." #~ msgstr "処理中..." #~ msgid "Build" #~ msgstr "ビルド(&B)" #~ msgid "Cut Slab From Crystal" #~ msgstr "結晶からスラブを作成" #~ msgid "No GLWidget?" #~ msgstr "GLWidgetが見つからないようです。" #~ msgid "Please select one or more atoms." #~ msgstr "一つ以上の原子を選択してください。" #~ msgid "Trajectory..." #~ msgstr "トラジェクトリ ..." #~ msgid "Open chemical file format" #~ msgstr "化学ファイル形式を開く" #~ msgid "Chemical files (*.xyz)" #~ msgstr "化学ファイル (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "パラメータファイルを開く" #~ msgid "Chemical files (*.parm7)" #~ msgstr "化学ファイル (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "トラジェクトリのインポート" #~ msgid "Import trajectory files" #~ msgstr "トラジェクトリファイルのインポート" #~ msgid "Calculate Energy" #~ msgstr "エネルギー計算" #~ msgid "Conformer Search..." #~ msgstr "配座探索 ..." #~ msgid "Constraints..." #~ msgstr "束縛 ..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "現在指定されている力場をこの分子には適用できません。UFF力場に変更します。" #~ msgid "Geometric Optimization" #~ msgstr "構造最適化" #~ msgid "Systematic Rotor Search" #~ msgstr "システマティック・ローター検索" #~ msgid "Random Rotor Search" #~ msgstr "ランダム・ローター検索" #~ msgid "Weighted Rotor Search" #~ msgstr "重みづけローター検索" #~ msgid "Genetic Algorithm Search" #~ msgstr "遺伝アルゴリズム探索" #~ msgid "ForceField" #~ msgstr "力場" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "分子力学の力場を用いた分子の最適化と配座発生" #~ msgid "&Vector Graphics..." #~ msgstr "ベクター画像(&V) ..." #~ msgid "Common vector image formats" #~ msgstr "一般的なベクタ画像フォーマット" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "ベクタ画像のエクスポート" #~ msgid "Change H to Methyl" #~ msgstr "水素原子をメチル基に変更" #~ msgid "H to Methyl" #~ msgstr "水素をメチル基に" #~ msgid "H2Methyl" #~ msgstr "水素メチル化" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "水素原子をメチル基に変える" #~ msgid "Add or remove hydrogens" #~ msgstr "水素を付加する、または取り去る" #~ msgid "Insert DNA/RNA chains" #~ msgstr "DNA/RNA鎖を挿入" #~ msgid "Peptide..." #~ msgstr "ペプチド" #~ msgid "Insert oligopeptide sequences" #~ msgstr "オリゴペプチド配列を挿入する" #~ msgid "Invert Chirality" #~ msgstr "キラリティを反転" #~ msgid "InvertChiral" #~ msgstr "キラリティ反転" #~ msgid "Invert chiral centers" #~ msgstr "キラル中心を反転" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "不明" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "双極子モーメントを推定する(D):" #~ msgid "Display standard molecular properties." #~ msgstr "一般的な分子の性質を見る" #~ msgid "Fetch by chemical name..." #~ msgstr "化学名を指定して構造を取得..." #~ msgid "Fetch from URL..." #~ msgstr "URLを指定して構造を取得..." #~ msgid "PDB Entry" #~ msgstr "PDBエントリ" #~ msgid "PDB entry to download." #~ msgstr "ダウンロードするPDBエントリ" #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "ダウンロードする分子のURL" #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "指定された分子をロードできませんでした: %1" #~ msgid "Network Fetch" #~ msgstr "ネットワークから取得" #~ msgid "Fetch molecule files over the network." #~ msgstr "ネットワークから分子ファイルを取得" #~ msgid "OrcaExtension Warning" #~ msgstr "Orca エクステンション 警告" #~ msgid "OrcaExtension" #~ msgstr "Orca エクステンション" #~ msgid " No vibration data found!" #~ msgstr " 振動解析データがありません!" #~ msgid " No vibration data found or molecule changed outside Orca Plugin!" #~ msgstr "" #~ " 振動解析データがないか、またはデータがOrca プラグイン以外で変更されまし" #~ "た!" #~ msgid "Selected displacement data don't fit to the actual molecule!" #~ msgstr "選択された変位データは分子に適合しません!" #~ msgid "extended Geometry File" #~ msgstr "拡張ジオメトリファイル" #~ msgid "Read Orca Outputfile" #~ msgstr "Orca アウトプットファイルを読み込む" #~ msgid "no file found" #~ msgstr "ファイルが見つかりません" #~ msgid "Somethings wrong in the file structure" #~ msgstr "ファイル構造が不正です" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "ユニットセルでファイル構造が不正です" #~ msgid "Something is wrong in the IR output! " #~ msgstr "IRアウトプットが不正です " #~ msgid "Something is wrong in the raman output! " #~ msgstr "ラマンアウトプットが不正です " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "オービタルエネルギーアウトプットが不正です " #~ msgid "No geometry found in file!" #~ msgstr "ファイルにジオメトリがありません!" #~ msgid "" #~ "Molecule of the file does not fit the actual molecule structure! \n" #~ " Would you like to override the actual molecule?" #~ msgstr "" #~ "ファイルの分子は現在の分子に適合しません!\n" #~ " 続行しますか?" #~ msgid "Could not read file!" #~ msgstr "ファイルを読み込めません!" #~ msgid "Analyse Orca Output..." #~ msgstr "Orcaアウトプットを解析..." #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "ORCA Input Deck" #~ msgstr "ORCAインプット" #~ msgid "Show Preview" #~ msgstr "プレビューを表示" #~ msgid "Hide Preview" #~ msgstr "プレビューを隠す" #~ msgid "RijCosX option not available for the selected DFT functional!" #~ msgstr "選択されたDFT汎関数でRijCosXオプションは利用できません!" #~ msgid "" #~ "RijCosX not available for the selected DFT functional! \n" #~ "RijCosX option reset!" #~ msgstr "" #~ "択されたDFT汎関数でRijCosXオプションは利用できません!\n" #~ "RijCosXオプションをリセットします!" #~ msgid "" #~ "Unsaved changes are made in the actual preview text! \n" #~ " Generating a new preview will lose all changes! \n" #~ " Would you like to override them anyway?" #~ msgstr "" #~ "プレビューでの変更は保存されていません!\n" #~ " 新しいプレビューでは変更は失われます!\n" #~ " 続行しますか?" #~ msgid "Intensities" #~ msgstr "強度" #~ msgid " OrcaSpectra::No vibration data found!" #~ msgstr " OrcaSpectra::振動データがありません!" #~ msgid "Save POV-Ray rendered image" #~ msgstr "POV-Rayイメージを保存する" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "イメージファイル (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "有効なファイル名が入力されていません" #~ msgid "Does not compute." #~ msgstr "計算しない" #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "POV-Ray画像を直接レンダリング・POV-Rayファイルを保存のうちどちらのオプショ" #~ "ンも選択されていません。これでは出力が保存されませんが、よろしいですか？" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "ファイル %1 に書き込めません。 その場所に書き込む権限を持っていますか？" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Rayのスタートに失敗しました" #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Rayのスタートに失敗しました。おそらく実行ファイルのパスが正しく設定さ" #~ "れていません。" #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "POV-Rayファイルを作り、POV-Rayコマンドラインプログラムを使ってレンダリング" #~ "します。" #~ msgid "Conformer Properties..." #~ msgstr "配座異性体のプロパティ..." #~ msgid "Python Terminal" #~ msgstr "Pythonターミナル" #~ msgid "pythonTerminalDock" #~ msgstr "Pythonターミナルドック" #~ msgid "Interactive python scripting terminal" #~ msgstr "インタラクティブPythonスクリプト端末" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Abinit入力ジェネレータからの警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Abinit入力プレビューペインへの全ての変更を破棄してプレビューテキストを更新" #~ "しますか？" #~ msgid "Abinit_Input_Deck" #~ msgstr "Abinit インプット" #~ msgid "Abinit Running." #~ msgstr "Abinit実行中" #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "Abinitは既に実行中です。計算終了までお待ちください。" #~ msgid "Abinit Not Installed." #~ msgstr "Abinitがインストールされていません" #~ msgid "The abinit executable cannot be found." #~ msgstr "Abinitの実行可能ファイルが見つかりません" #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "擬ポテンシャル (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf " #~ "*.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "abinitを開始できません。正しくインストールされていますか？" #~ msgid "Running Abinit calculation..." #~ msgstr "AbInitを実行中..." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "abinitを開始できませんでした。正しくインストールされていますか？" #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Dalton入力ファイルジェネレータからの警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Dalton入力ファイルプレビューペインへの変更を全て破棄してプレビューテキスト" #~ "を更新しますか？" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFPファイルを選ぶ..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QMファイルを選ぶ..." #~ msgid "Delete" #~ msgstr "削除" #~ msgid "You must make a selection!" #~ msgstr "選択してください!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES記法変換は利用できません" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES記法変換は利用できません" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "GAMESSのインプットファイルを作る" #~ msgid "Advanced Settings Changed" #~ msgstr "詳細な設定が変化しています。" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "詳細な設定が変化しています。\n" #~ "破棄しますか？" #~ msgid "Advanced Settings Reset" #~ msgstr "詳細な設定をリセットする。" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "詳細な設定をリセットしますか？\n" #~ "設定内容は失われます！" #~ msgid "Basic Settings Reset" #~ msgstr "基本的な設定をリセットする。" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "基本的な設定をリセットしますか？\n" #~ "設定内容は失われます！" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "GAMESS-UKインプットジェネレータからの警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "GAMESS-UKインプットプレビューペインへの変更を全て破棄してプレビューテキス" #~ "トを更新しますか？" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "GAMESS-UKインプット" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussianインプットジェネレータからの警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Gaussianインプットプレビューペインへの変更を全て破棄してプレビューテキスト" #~ "を更新しますか？" #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussianインプット" #~ msgid "Gaussian Running." #~ msgstr "Gaussianが実行中です" #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "Gaussianは既に実行中です。計算が終わるまで待ってください。" #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussianがインストールされていません" #~ msgid "The G03 executable, cannot be found." #~ msgstr "G03の実行ファイルを見つけられません" #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03は実行しません。おそらく、正しくインストールされていません。" #~ msgid "Running Gaussian calculation..." #~ msgstr "Gaussian計算が実行中..." #~ msgid "G03 Crashed." #~ msgstr "G03はクラッシュしました" #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussianは適切に実行しませんでした。おそらく、適切にインストールされていま" #~ "せん。" #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "Dalton(&D)..." #~ msgid "&Gaussian..." #~ msgstr "Gaussian(&G)..." #~ msgid "&MOLPRO..." #~ msgstr "MOLPRO(&M)..." #~ msgid "&NWChem..." #~ msgstr "NSChem(&N)..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "Q-Chem*&Q)..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "LAMMPSインプットジェネレータからの警告" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Molproインプットジェネレータ警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "プレビューテキストを更新しますか? Molproインプットプレビュー画面での変更" #~ "は失われます。" #~ msgid "Molpro Input Deck" #~ msgstr "Molproインプット" #~ msgid "MOPAC Input Warning" #~ msgstr "MOPACインプット警告" #~ msgid "MOPAC Input Deck" #~ msgstr "MOPACインプット" #~ msgid "MOPAC Running." #~ msgstr "MOPAC実行中" #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPACは既に実行中です。計算が終わるまで待ってください" #~ msgid "MOPAC Not Installed." #~ msgstr "MOPACがインストールされていません" #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "MOPACの実行ファイルが見つかりませんでした" #~ msgid "MOPAC failed to start." #~ msgstr "MOPACのスタートに失敗しました" #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPACが起動しませんでした。おそらく適切にインストールされていません。" #~ msgid "Running MOPAC calculation..." #~ msgstr "MOPAC実行中" #~ msgid "MOPAC Crashed." #~ msgstr "MOPACがクラッシュしました" #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPACが適切に起動しませんでした。おそらく、適切にインストールされていませ" #~ "ん。" #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "NewChem インプットジェネレーター警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "プレビューテキストを更新しますか? NWChemインプットプレビュー画面での変更は" #~ "失われます。" #~ msgid "NWChem Input Deck" #~ msgstr "NWChem インプット" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Psi4 インプットジェネレーター警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "プレビューテキストを更新しますか? Psi4 インプットプレビュー画面での変更は" #~ "失われます。" #~ msgid "Psi4 Input Deck" #~ msgstr "Psi4 インプット" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem インプットジェネレーター警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "プレビューテキストを更新しますか? Q-Chem インプットプレビュー画面での変更" #~ "は失われます。" #~ msgid "QChem Input Deck" #~ msgstr "QChem インプット" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "TeraChem インプットジェネレーター警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "プレビューテキストを更新しますか? TeraChem インプットプレビュー画面での変" #~ "更は失われます。" #~ msgid "TeraChem Input Deck" #~ msgstr "TeraChem インプット" #~ msgid "Select SMARTS..." #~ msgstr "SMARTSによる選択..." #~ msgid "Add Named Selection..." #~ msgstr "名前付き選択の追加..." #~ msgid "SMARTS Selection" #~ msgstr "SMARTSで選択" #~ msgid "SMARTS pattern to select" #~ msgstr "選択するSMARTSパターン" #~ msgid "There is no current selection." #~ msgstr "何も選択されていません。" #~ msgid "Add Named Selection" #~ msgstr "名前付き選択を追加" #~ msgid "Name cannot be empty." #~ msgstr "名前は空にできません。" #~ msgid "There is already a selection with this name." #~ msgstr "すでにこの名前は使われています" #~ msgid "Selections" #~ msgstr "選択" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "原子・結合・残基を選択..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL シェーダー..." #~ msgid "Open a vertex shader source file" #~ msgstr "頂点シェーダーソースファイルを開く" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "頂点シェーダーファイル (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "フラグメントシェーダーソースファイルを開く" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "フラグメントシェーダーファイル (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "シェーダーパラメーターファイルを開く" #~ msgid "Shader parameters files (*.params)" #~ msgstr "シェーダーパラメーターファイル (*.param)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL シェーダー" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "OpenGL 2.0 GLSL シェーダーをロードして使用する" #~ msgid "Intensity (arb. units)" #~ msgstr "インテンシティー (arb. units)" #~ msgid "Density of States (states/cell)" #~ msgstr "状態密度 (states/cell)" #~ msgid "Density of States (states/atom)" #~ msgstr "状態密度 (states/atom)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "状態密度 (states/valence electron)" #~ msgid "Transmittance (%)" #~ msgstr "トランスミッタンス (%)" #~ msgid "Absorbance (%)" #~ msgstr "アブソーバンス (%)" #~ msgid "No intensities" #~ msgstr "データがありません" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "ロードされている分子の振動データには強度データがありません。視覚化のために" #~ "は任意の値を強度データとして入力してください。" #~ msgid "Activity" #~ msgstr "アクティビティ" #~ msgid "X Axis" #~ msgstr "X 軸" #~ msgid "Y Axis" #~ msgstr "Y 軸" #~ msgid "&Infrared Spectra Settings" #~ msgstr "赤外線スペクトルの設定(&I)" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "NMRスペクトルの設定(&N)" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "紫外線" #~ msgid "&UV Settings" #~ msgstr "紫外線スペクトルの設定(&U)" #~ msgid "&CD Settings" #~ msgstr "CDスペクトルの設定(&C)" #~ msgid "&Raman Settings" #~ msgstr "ラマンスペクトルの設定(&R)" #~ msgid "No data" #~ msgstr "データなし" #~ msgid "Dark" #~ msgstr "暗く" #~ msgid "Publication" #~ msgstr "出版用" #~ msgid "Handdrawn" #~ msgstr "手書き" #~ msgid "New Scheme" #~ msgstr "新しいスキーム" #~ msgid "Confirm Scheme Removal" #~ msgstr "確認: スキームの削除" #~ msgid "Really remove current scheme?" #~ msgstr "本当にこのスキームを削除しますか？" #~ msgid "Change Scheme Name" #~ msgstr "スキーム名を変更" #~ msgid "Enter new name for current scheme:" #~ msgstr "このスキームの新しい名前を入力:" #~ msgid "Export Calculated Spectrum" #~ msgstr "計算したスペクトルをエクスポート" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "タブ区切りフォーマット (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "タブ区切りフォーマット" #~ msgid "Comma Separated Values" #~ msgstr "カンマ区切りフォーマット (CSV)" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "スペクトルのインポート" #~ msgid "Unknown extension: %1" #~ msgstr "不明な拡張子: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IRデータ (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomole IRデータ (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Turbomole UVデータ (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Turbomole CD データ (cdspectrum)" #~ msgid "Data Format" #~ msgstr "データ形式" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "ファイル形式:" #~ msgid "Load Spectral Data" #~ msgstr "スペクトルデータを読み込み" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Turbomole CDファイルのフォーマットが不正です: %1" #~ msgid "Portable Network Graphics" #~ msgstr "PNG 画像:" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image File Format(TIFF)" #~ msgid "Windows Bitmap" #~ msgstr "ウィンドウズビットマップ" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap (PPM)" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap (XBM)" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap (XPM)" #~ msgid "Save Spectra Image" #~ msgstr "スペクトル画像を保存" #~ msgid "Image successfully written to %1" #~ msgstr "画像を %1 に保存しました" #~ msgid "&Advanced <<" #~ msgstr "詳細設定(&A) <<" #~ msgid "&Advanced >>" #~ msgstr "詳細設定(&A) >>" #~ msgid "&Spectra..." #~ msgstr "スペクトル(&S)" #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "量子化学計算によるスペクトルデータを可視化" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "振動解析" #~ msgid "No vibrational displacements exist." #~ msgstr "振動方向データがありません" #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "量子化学計算による振動モードを可視化" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "%1振動を周波数で並び換え" #~ msgid "Pause" #~ msgstr "一時停止" #~ msgid "Super Cell Builder..." #~ msgstr "スーパーセルビルダ" #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "このドキュメントは孤立系を含んでいます。ユニットセルを作成してください。" #~ msgid "Build and display crystallographic super cells" #~ msgstr "結晶のスーパーセルを作成" #~ msgid "Molecular Orbitals..." #~ msgstr "分子軌道..." #~ msgid "Orbitals" #~ msgstr "軌道" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "なし" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "ファンデルワールス" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "電子密度" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "エラー - 不明な種類" #~ msgid "Calculating VdW Cube" #~ msgstr "ファンデアワールスCubeを計算中" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "第%L1分子軌道を計算中" #~ msgid "VdW" #~ msgstr "vdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "静電ポテンシャルサーフェスはサポートされていません。" #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "分子軌道やその他のサーフェスを計算" #~ msgid "&Nanotube Builder..." #~ msgstr "ナノチューブビルダ(&N)" #~ msgid "Nanotube Builder" #~ msgstr "ナノチューブビルダ" #~ msgid "Invalid Nanotube Specification" #~ msgstr "不正なナノチューブ構造" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "入力されたナノチューブは次の理由により作成できません。\n" #~ "\n" #~ "mまたはnのどちらかは1より大きい必要があります。" #~ msgid "Insert Nanotube" #~ msgstr "ナノチューブを挿入" #~ msgid "SWCNT Builder" #~ msgstr "SWCNTビルダ" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "単層カーボンナノチューブを構築します。" #~ msgid "Building..." #~ msgstr "構築中..." #~ msgid "Display point group symmetry." #~ msgstr "点群の対称性を表示" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "動画作成のためにGLウィジェットを初期化できませんでした" #~ msgid "GL widget has no molecule" #~ msgstr "GLウィジェットに分子がありません" #~ msgid "Building video " #~ msgstr "動画を作成中 " #~ msgid "Could not run mencoder." #~ msgstr "mencoderを実行できませんでした" #~ msgid "Set Aspect Ratio" #~ msgstr "アスペクト比をセット" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "現在のAvogadroの表示は%1x%2ピクセルなのでアスペクト比は%3です。\n" #~ "POV-Rayで%4x1000の画像を作成するためにはこの値を保持してください。\n" #~ "例えば1000x1000の正方形の画像を作成するためには1を入力するなど、\n" #~ "別の正の値を入力することもできます。" #~ msgid "Connect" #~ msgstr "接続" #~ msgid "Disconnect" #~ msgstr "切断" #~ msgid "&WiiTrack" #~ msgstr "&Wiiコントローラトラッキング" #~ msgid "Wii Tracking" #~ msgstr "Wiiコントローラトラッキング" #~ msgid "Track motion using Wii remotes" #~ msgstr "Wiiコントローラの動きをトラッキング" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "OpenGLコンテキストが不正です。\n" #~ "OpenGLのインストールに失敗しているか、またはOpenGLのバグです。" #~ msgid "Debug Information" #~ msgstr "デバッグ情報" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "表示サイズ: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "モデルビュー 行1: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "モデルビュー 行2: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "モデルビュー 行3: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "モデルビュー 行4: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "原子: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: インデックス%1は範囲外です。" #~ msgid "File type '%1' is not supported for reading." #~ msgstr "'%1'形式のファイルの読み込みはサポートされていません。" #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "ファイル '%1' のファイル形式の読み込みはサポートされていません。" #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "ファイル'%2'からの分子%1の読み込みに失敗しました。" #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "replaceMolecule: インデックス%1は範囲外です。" #~ msgid "File type '%1' is not supported for writing." #~ msgstr "'%1'形式のファイルへの書き込みはサポートされていません。" #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "ファイル'%1'のファイル形式での書き込みはサポートされていません。" #~ msgid "Could not open file '%1' for reading." #~ msgstr "ファイル'%1'を読み込みモードで開けません。" #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "ファイル'%2'中の分子%1の置き換えに失敗しました。" #~ msgid "File %1 cannot be opened for reading." #~ msgstr "ファイル %1 を読み込みモードで開けません。" #~ msgid "File %1 can not be opened for writing." #~ msgstr "ファイル %1 を書き込みモードで開けません。" #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "分子ファイルの保存に失敗しました - オリジナルファイルをリネームできませ" #~ "ん。" #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "分子ファイルの保存に失敗しました - 新しいファイルをリネームできません。" #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "分子ファイルの保存に失敗しました - 古いファイルをリネームできません。" #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "ファイル'%1'への分子の書き込みに失敗しました。OpenBabelライブラリのエラー" #~ "です。" #~ msgid "File %1 cannot be opened for writing." #~ msgstr "ファイル %1 を書き込みモードで開けません。" #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "ファイル'%1'への配座の書き込みに失敗しました。" #~ msgid "Molecule %1" #~ msgstr "分子%1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "未知の Python Engine" #~ msgid "N/A" #~ msgstr "N/A" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: チェック中 " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - スクリプトには Engine クラスが定義されていません" #~ msgid " - no module" #~ msgstr " - モジュールなし" #~ msgid "Unknown Python Extension" #~ msgstr "未知の Python Extension" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: チェック中 " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - スクリプトには Extension クラスが定義されていません" #~ msgid "Unknown Python Tool" #~ msgstr "未知の Python Tool" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: チェック中 " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - スクリプトには Tool クラスが定義されていません" #~ msgid "Conformer %1" #~ msgstr "配座%1" #~ msgid "Tools" #~ msgstr "ツール" #~ msgid "Align:" #~ msgstr "アラインメントの対象:" #~ msgid "Everything" #~ msgstr "全て" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "自動最適化ツール\n" #~ "\n" #~ "分子のない場所をクリックするとナビゲーションします。\n" #~ "左クリック: \t回転\n" #~ "中クリック: ズーム\n" #~ "右クリック: \t移動\n" #~ "ダブルクリック: \t表示をリセット\n" #~ "\n" #~ "最適化中:\n" #~ "左クリック: \t原子をドラッグして動かすことができます。" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "自動最適化: 力場を設定できませんでした..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "自動最適化: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "拘束条件の数: %1" #~ msgid "Steps per Update:" #~ msgstr "更新ごとのステップ数:" #~ msgid "Algorithm:" #~ msgstr "アルゴリズム:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "分子動力学法 (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "分子動力学法 (900K)" #~ msgid "Start" #~ msgstr "スタート" #~ msgid "Fixed atoms are movable" #~ msgstr "固定された原子を移動可能にする" #~ msgid "Ignored atoms are movable" #~ msgstr "無視された原子を移動可能にする" #~ msgid "AutoOpt Molecule" #~ msgstr "分子を自動最適化" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "分子構造を自動的に最適化" #~ msgid "AutoOptimization Settings" #~ msgstr "自動最適化の設定" #~ msgid "Auto Rotation Tool" #~ msgstr "自動回転ツール" #~ msgid "x rotation:" #~ msgstr "x 回転:" #~ msgid "x rotation" #~ msgstr "x 回転" #~ msgid "y rotation:" #~ msgstr "y 回転:" #~ msgid "y rotation" #~ msgstr "y 回転" #~ msgid "z rotation:" #~ msgstr "z 回転:" #~ msgid "z rotation" #~ msgstr "z 回転" #~ msgid "Automatic rotation of molecules" #~ msgstr "分子を自動で回転" #~ msgid "AutoRotate Settings" #~ msgstr "自動回転の設定" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "結合長: %L1" #~ msgid " Show Angles" #~ msgstr " 結合角を表示する" #~ msgid "Snap-to Threshold: " #~ msgstr "吸着のしきい値: " #~ msgid "Bond Centric Manipulate" #~ msgstr "結合中心操作" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "結合長・結合角・二面角を操作" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "結合中心操作の設定" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "距離(2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "距離(3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "二面角: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "距離" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "結合長・結合角・二面角の測定" #~ msgid "Draw Bond" #~ msgstr "結合を作成" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "原子・結合を作成・変更" #~ msgid "Draw Settings" #~ msgstr "作成の設定" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "原子及びフラグメントの移動・回転・調整" #~ msgid "Manipulate Settings" #~ msgstr "操作の設定" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "表示領域を移動・回転・拡大縮小" #~ msgid "Navigate Settings" #~ msgstr "ナビゲーションの設定" #~ msgid "Selection Mode:" #~ msgstr "選択モード:" #~ msgid "Atom/Bond" #~ msgstr "原子/結合" #~ msgid "Residue" #~ msgstr "残基" #~ msgid "Add Center of Atoms" #~ msgstr "原子の中心を追加" #~ msgid "Change color of the atom" #~ msgstr "原子のカラーを変更" #~ msgid "Change label of the atom" #~ msgstr "原子のラベルを変更" #~ msgid "Change label of the bond" #~ msgstr "結合のラベルを変更" #~ msgid "Change radius of the atom" #~ msgstr "原子半径を変更" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "新しい半径 %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "原子・残基・分子を選択" #~ msgid "Symbol" #~ msgstr "元素記号" #~ msgid "Bond Length" #~ msgstr "結合長" #~ msgid "Dihedral Angle" #~ msgstr "二面角" #~ msgid "Z Matrix Editor..." #~ msgstr "Z マトリックスエディター..." #~ msgid "Z-Matrix" #~ msgstr "Z マトリックス" #~ msgid "Create/edit a z-matrix" #~ msgstr "Z マトリックスを作成/編集" #~ msgid "Z-Matrix Settings" #~ msgstr "Z マトリックス設定" #~ msgid "Color residues by:" #~ msgstr "残基の色:" #~ msgid "Hydrophobicity" #~ msgstr "疎水度" #~ msgid "Axes:" #~ msgstr "座標軸" #~ msgid "Cartesian Axes" #~ msgstr "デカルト座標軸" #~ msgid "Orthogonal Axes" #~ msgstr "直交座標軸" #~ msgid "Axis 1:" #~ msgstr "軸 1:" #~ msgid "Axis 2:" #~ msgstr "軸 2:" #~ msgid "Axis 3:" #~ msgstr "軸 3:" #~ msgid "Origin:" #~ msgstr "原点:" #~ msgid "Norm" #~ msgstr "ノルム" #~ msgid "Preserve vector norms" #~ msgstr "ベクトルのノルムを保存" #~ msgid "Atom Radius:" #~ msgstr "原子半径:" #~ msgid "Bond Radius:" #~ msgstr "結合半径:" #~ msgid "Shape" #~ msgstr "形状" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "ループ" #~ msgid "Dipole:" #~ msgstr "双極子" #~ msgid "Custom Vector" #~ msgstr "カスタムベクトル" #~ msgid "Custom:" #~ msgstr "カスタム" #~ msgid "Width:" #~ msgstr "幅" #~ msgid "Cut-off radius:" #~ msgstr "カットオフ半径:" #~ msgid "Cut-off angle:" #~ msgstr "カットオフ角度:" #~ msgid "Rendering Engine:" #~ msgstr "レンダリングエンジン:" #~ msgid "TextRenderer" #~ msgstr "テキストレンダラ" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "テキスト:" #~ msgid "Symbol & Number in Group" #~ msgstr "元素記号及び同じ元素の中での通し番号" #~ msgid "Symbol & Atom number" #~ msgstr "元素記号及び原子の通し番号" #~ msgid "Partial charge" #~ msgstr "部分電荷" #~ msgid "Residue number" #~ msgstr "残基番号" #~ msgid "Custom data" #~ msgstr "カスタムデータ" #~ msgid "Change Font" #~ msgstr "フォントを変更" #~ msgid "x : " #~ msgstr "x " #~ msgid "y : " #~ msgstr "y " #~ msgid "z : " #~ msgstr "z " #~ msgid "Label Shift:" #~ msgstr "ラベルのオフセット:" #~ msgid "Bond length" #~ msgstr "結合距離" #~ msgid "Bond number" #~ msgstr "結合の通し番号" #~ msgid "Bond order" #~ msgstr "結合次数" #~ msgid "Lines" #~ msgstr "ライン" #~ msgid "Radius:" #~ msgstr "半径:" #~ msgid "Include Nitrogens" #~ msgstr "窒素を含める" #~ msgid "VdW Opacity:" #~ msgstr "VdW 不透明度:" #~ msgid "Orbital:" #~ msgstr "オービタル" #~ msgid "Fill" #~ msgstr "塗りつぶし" #~ msgid "Points" #~ msgstr "点" #~ msgid "Draw Box:" #~ msgstr "ボックスを描画:" #~ msgid "Style:" #~ msgstr "スタイル:" #~ msgid "Mapped Colors" #~ msgstr "マップされたカラー" #~ msgid "Positive" #~ msgstr "正" #~ msgid "Negative" #~ msgstr "負" #~ msgid "Show Atoms" #~ msgstr "原子を表示" #~ msgid "Animate Trajectory" #~ msgstr "トラジェクトリをアニメーションで表示" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "ループ" #~ msgid "Save as .avi..." #~ msgstr ".avi で保存..." #~ msgid "Angstroms" #~ msgstr "オングストローム" #~ msgid "Bohrs" #~ msgstr "ボーア" #~ msgid "Fractional" #~ msgstr "フラクショナル" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "XYZ (座標のみ)" #~ msgid "GAMESS Input #2" #~ msgstr "GAMESS インプット #2" #~ msgid "Priroda Input" #~ msgstr "Priroda インプット" #~ msgid "Apply Changes" #~ msgstr "変更を適用" #~ msgid "Cut All" #~ msgstr "すべてをカット" #~ msgid "Paste to the End" #~ msgstr "行末へペースト" #~ msgid "" #~ "\n" #~ "\n" #~ "

      Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

      " #~ msgstr "" #~ "\n" #~ " \n" #~ "

      原子座標をここにペースト" #~ "するｋここで編集してください。座標を含むほぼどんなテキストもペーストできま" #~ "す。

      " #~ msgid "(None)" #~ msgstr "(なし)" #~ msgid "Sort by " #~ msgstr "ソート " #~ msgid "Number of atoms:" #~ msgstr "原子数:" #~ msgid "Number of rotatable bonds:" #~ msgstr "回転できる結合数:" #~ msgid "Add Constraints" #~ msgstr "拘束を追加" #~ msgid "Ignore Atom" #~ msgstr "原子を無視" #~ msgid "Fix Atom" #~ msgstr "原子を固定" #~ msgid "Fix Atom X" #~ msgstr "原子のX座標を固定" #~ msgid "Fix Atom Y" #~ msgstr "原子のY座標を固定" #~ msgid "Fix Atom Z" #~ msgstr "原子のZ座標を固定" #~ msgid "Torsion angle" #~ msgstr "ねじれ角" #~ msgid "Add" #~ msgstr "追加" #~ msgid "Save" #~ msgstr "保存" #~ msgid "Load" #~ msgstr "ロード" #~ msgid "Atomic &identites:" #~ msgstr "原子識別子(&i):" #~ msgid "Surface Slab Builder" #~ msgstr "表面スラブビルダー" #~ msgid "Plane:" #~ msgstr "格子面:" #~ msgid "&Miller Indices:" #~ msgstr "ミラー指数 (&M):" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "警告: 0以外のミラー指数をお使いください。" #~ msgid "Width (x)" #~ msgstr "幅(&W):" #~ msgid "Width (y)" #~ msgstr "幅(&W):" #~ msgid "Height (z)" #~ msgstr "高さ(&H)" #~ msgid "length" #~ msgstr "長さ %1" #~ msgid "cell repeats" #~ msgstr "セル繰り返し" #~ msgid "&Translate " #~ msgstr "平行移動 (&T) " #~ msgid "by arbitrary vector" #~ msgstr "任意のベクトルで" #~ msgid "selected atom to unit cell center" #~ msgstr "選択原子をユニットセルの原点に" #~ msgid "Translation vector:" #~ msgstr "平行移動ベクトル" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "エネルギー単位:" #~ msgid "Cartesian" #~ msgstr "デカルト座標" #~ msgid "&Translate" #~ msgstr "平行移動 (&T)" #~ msgid "Crystal View Options" #~ msgstr "結晶ビューオプション" #~ msgid "Unit Cell Repeats:" #~ msgstr "ユニットセル繰り返し" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "ユニットセルを表示" #~ msgid "One" #~ msgstr "1つ" #~ msgid "All" #~ msgstr "すべて" #~ msgid "Color..." #~ msgstr "色を設定..." #~ msgid "View Along:" #~ msgstr "表示" #~ msgid "Default View" #~ msgstr "デフォルトの表示" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "ミラー指数" #~ msgid "File Import..." #~ msgstr "ファイルをインポート..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "結合の検出を試みる" #~ msgid "Setup Force Field" #~ msgstr "力場をセットアップ" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "ステップ数" #~ msgid "Algorithm" #~ msgstr "アルゴリズム" #~ msgid "10e-" #~ msgstr "10e-" #~ msgid "Alanine" #~ msgstr "アラニン" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "アルギニン" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "アスパラギン" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "アスパラギン酸" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "システイン" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "グルタミン酸" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "グルタミン" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "グリシン" #~ msgid "Gly" #~ msgstr "Gky" #~ msgid "Histidine" #~ msgstr "ヒスチジン" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "イソロイシン" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Valine" #~ msgstr "バリン" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyrosine" #~ msgstr "チロシン" #~ msgid "Tyr" #~ msgstr "Tyr" #~ msgid "Tryptophan" #~ msgstr "トリプトファン" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "トレオニン" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "セリン" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "プロリン" #~ msgid "Phenylalanine" #~ msgstr "フェニルアラニン" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "メチオニン" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "リシン" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "ロイシン" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "配列 (N→C)" #~ msgid "Stereochemistry:" #~ msgstr "立体化学" #~ msgid "L" #~ msgstr "L" #~ msgid "N Terminus:" #~ msgstr "N 末端:" #~ msgid "C Terminus:" #~ msgstr "C 末端:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Structure:" #~ msgstr "構造:" #~ msgid "Straight Chain" #~ msgstr "直鎖" #~ msgid "Alpha Helix" #~ msgstr "αヘリックス" #~ msgid "Beta Sheet" #~ msgstr "βシート" #~ msgid "Pi Helix" #~ msgstr "π ヘリックス" #~ msgid "Phi:" #~ msgstr "φ:" #~ msgid "Psi:" #~ msgstr "ψ:" #~ msgid "Chain Number:" #~ msgstr "鎖数:" #~ msgid "The chain number for the new peptide" #~ msgstr "新規のペプチドの鎖数" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "残基の数:" #~ msgid "Energy (kJ/mol):" #~ msgstr "エネルギー (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "双極子モーメント (D):" #~ msgid "select Fragment" #~ msgstr "フラグメントを選択" #~ msgid "Basic" #~ msgstr "基本設定" #~ msgid "Comment" #~ msgstr "コメント" #~ msgid "Frequency" #~ msgstr "振動解析" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Format" #~ msgstr "フォーマット" #~ msgid "z-Matrix" #~ msgstr "zマトリックス" #~ msgid "z-Matrix compact" #~ msgstr "zマトリックス(コンパクト)" #~ msgid "Advanced" #~ msgstr "詳細" #~ msgid "Basis Set" #~ msgstr "基底" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "RijCosX" #~ msgstr "RijCosX" #~ msgid "Aux. Basis Set" #~ msgstr "補助基底" #~ msgid "Aux. ECP" #~ msgstr "補助ECP" #~ msgid "Relativistic" #~ msgstr "相対論的" #~ msgid "ZORA" #~ msgstr "ZORA" #~ msgid "IORA" #~ msgstr "IORA" #~ msgid "DKH" #~ msgstr "DKH" #~ msgid "Order" #~ msgstr "オーダー" #~ msgid "Corr. Aux. Basis Set" #~ msgstr "相関補正基底" #~ msgid "Corr. ECP" #~ msgstr "相関ECP" #~ msgid "Run type" #~ msgstr "計算" #~ msgid "MOs" #~ msgstr "MO" #~ msgid "Basis Sets" #~ msgstr "基底" #~ msgid "Printlevel" #~ msgstr "プリントレベル" #~ msgid "Small" #~ msgstr "やや小" #~ msgid "Large" #~ msgstr "大" #~ msgid "Damping" #~ msgstr "ダンプ" #~ msgid "Factor" #~ msgstr "ファクター" #~ msgid "" #~ "

      select only if no defaults are wanted

      " #~ msgstr "" #~ "

      " #~ "デフォルト値を使用しない場合選択してください

      " #~ msgid "Accuracy" #~ msgstr "精度" #~ msgid "Tight SCF" #~ msgstr "高精度なSCF" #~ msgid "Very Tight SCF" #~ msgstr "非常に高精度なSCF" #~ msgid "Extreme SCF" #~ msgstr "最高精度SCF" #~ msgid "KDIIS" #~ msgstr "KDIIS" #~ msgid "Levelshift " #~ msgstr "レベルシフト " #~ msgid "Levelshift" #~ msgstr "レベルシフト" #~ msgid "2nd Order" #~ msgstr "２次計算" #~ msgid "SOSCF" #~ msgstr "SOSCF" #~ msgid "NRSCF" #~ msgstr "NRSCF" #~ msgid "AHSCF" #~ msgstr "AHSCF" #~ msgid "max. SCF iterations" #~ msgstr "SCF最大反復" #~ msgid "SCF Type" #~ msgstr "SCFタイプ" #~ msgid "restricted" #~ msgstr "制限" #~ msgid "unrestricted" #~ msgstr "非制限" #~ msgid "restricted open-shell" #~ msgstr "制限開殻" #~ msgid "DFT Functional" #~ msgstr "DFT汎関数" #~ msgid "Grid" #~ msgstr "グリッド" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray エクスポート" #~ msgid "Select..." #~ msgstr "選択..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "全シーンにアンチエイリアス" #~ msgid "Antialias" #~ msgstr "アンチエイリアス" #~ msgid "Set the background color to be transparent" #~ msgstr "背景色を透明にセット" #~ msgid "Alpha transparency" #~ msgstr "アルファ透明度" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "POV-Rayのコマンドラインを直接用いて分子を表示" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "表示完了後にPOV-Rayソースを保持" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "表示後にPOV-Rayソースを保持" #~ msgid "Path:" #~ msgstr "パス:" #~ msgid "Abinit Input" #~ msgstr "Abinit インプット" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "デカルト座標(オングストローム)" #~ msgid "Reduced" #~ msgstr "既約座標" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "平面波基底のカットオフ(Ha)" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "力の許容値(Ha/bohr)" #~ msgid "Max lattice expansion:" #~ msgstr "最大格子展開:" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "k点シフト" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "バンド数" #~ msgid "# k-point shifts:" #~ msgstr "k点シフト数:" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "ダブルグリッド PW カットオフ (Ha):" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "占有方法:" #~ msgid "SCF tolerance type:" #~ msgstr "SCFの収束判定法" #~ msgid "Wave Function norm" #~ msgstr "波動関数のノルム" #~ msgid "Total Potential" #~ msgstr "全ポテンシャル" #~ msgid "Maximum Force" #~ msgstr "力の最大値" #~ msgid "Relative Force" #~ msgstr "力の変化率" #~ msgid "1 - semiconducting" #~ msgstr "1 - 半導体" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - フェルミ・ディラック分布" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - Cold Smearing (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "Gaussianが実行中です" #~ msgid "Smearing width (Ha):" #~ msgstr "Smearing幅(Ha)" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - イオンを動かさない " #~ msgid "1 - viscous damping" #~ msgstr "1 - 粘性減衰" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS法 " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS法(エネルギー使用)" #~ msgid "# Geometrical time steps:" #~ msgstr "構造最適化のステップ数:" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "運動エネルギースムージング (Ha):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "計算..." #~ msgid "Dalton Input" #~ msgstr "Dalton インプット" #~ msgid "Basics" #~ msgstr "基本" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "入力ファイルのタイトル行に入力した文を注釈のために追加" #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "Basis Set:" #~ msgstr "基底:" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Pople 方式" #~ msgid "Jensen's polarization consistent" #~ msgstr "Jensen の polarization consistent" #~ msgid "Dunning's correlation consistent" #~ msgstr "Dunning の correlation consistent" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "内殻相関関数" #~ msgid "Diffuse functions" #~ msgstr "Diffuse 関数" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G*" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "直接計算" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "可能であれば並列計算で実行（SCF波動関数計算・DFT計算でのみ有効)\n" #~ "Daltonは現在のリリースではMPIのみサポートしています\n" #~ "（正しいコンパイルとインストールが必要です）\n" #~ "ノード数はdaltonスクリプト実行中に\"-N #\"オプションで指定します。" #~ msgid "Parallel" #~ msgstr "並列計算" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "グリッドの指定" #~ msgid "Partitioning Scheme:" #~ msgstr "分配スキーム" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (オリジナル)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "グリッドの品質:" #~ msgid "coarse" #~ msgstr "粗く" #~ msgid "normal" #~ msgstr "標準" #~ msgid "fine" #~ msgstr "細かく" #~ msgid "ultrafine" #~ msgstr "非常に細かく" #~ msgid "Radial Scheme:" #~ msgstr "動径スキーム" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "すべての汎関数を表示" #~ msgid "Property:" #~ msgstr "プロパティ:" #~ msgid "Polarizability" #~ msgstr "分極率" #~ msgid "Frequency Dependent" #~ msgstr "振動数に依存" #~ msgid "No. excitations:" #~ msgstr "励起なし:" #~ msgid "Group Label:" #~ msgstr "グループラベル:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "詳細セットアップ (&A)" #~ msgid "Hessian" #~ msgstr "ヘシアン" #~ msgid "Stat Point" #~ msgstr "停留点" #~ msgid "System" #~ msgstr "システム" #~ msgid "MO Guess" #~ msgstr "MO 推測" #~ msgid "Misc" #~ msgstr "その他" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "重原子Dタイプ分極関数の数:" #~ msgid "Read" #~ msgstr "読み込み" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "重原子のS殻を diffuse" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "重原子のL殻を diffuse" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Double Zeta Valence" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Triple Zeta Valence" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA Valence" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt Valence" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP タイプ" #~ msgid "Default" #~ msgstr "デフォルト" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "重原子Fタイプ分極関数の数:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "軽原子分極関数の数:" #~ msgid "Polar:" #~ msgstr "極性:" #~ msgid "Max SCF Iterations:" #~ msgstr "SCF 最大反復数:" #~ msgid "Gradient" #~ msgstr "勾配" #~ msgid "Trudge" #~ msgstr "非勾配最適化 (Trunge)" #~ msgid "Saddle Point" #~ msgstr "鞍点" #~ msgid "IRC" #~ msgstr "固有反応座標 (IRC)" #~ msgid "Gradient Extremal" #~ msgstr "グラジエントエクストレマルパス" #~ msgid "DRC" #~ msgstr "動的反応座標 (DRC)" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "光遷移モーメント" #~ msgid "Spin Orbit" #~ msgstr "スピン軌道結合" #~ msgid "Finite Electric Field" #~ msgstr "有限電場" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "グローバル最適化" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO 最適化" #~ msgid "Raman Intensities" #~ msgstr "ラマン強度" #~ msgid "Make EFP" #~ msgstr "EFPを作成" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "なし (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF タイプ:" #~ msgid "Localization Method:" #~ msgstr "局在化法:" #~ msgid "Exec Type:" #~ msgstr "実行タイプ:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinant" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Occupation Restricted Multiple Active Space" #~ msgid "CI Singles" #~ msgstr "CI Singles" #~ msgid "Full Second Order CI" #~ msgstr "完全二次CI" #~ msgid "General CI" #~ msgstr "一般的 CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Linearized CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC with Doubles" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC with Singles and Doubles" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "通常の計算" #~ msgid "Check" #~ msgstr "チェック" #~ msgid "Debug" #~ msgstr "デバッグ" #~ msgid "Molecule Charge:" #~ msgstr "分子の電荷:" #~ msgid "Run Type:" #~ msgstr "計算タイプ:" #~ msgid "Use MP2" #~ msgstr "MP2を使用" #~ msgid "Use DFT" #~ msgstr "DFTを使用" #~ msgid "# of Z-Matrix Variables" #~ msgstr "Z-マトリックス変数の数" #~ msgid "Ǻngstrom" #~ msgstr "オングストローム" #~ msgid "Order of Principal Axis:" #~ msgstr "主軸の位数:" #~ msgid "Coordinate Type:" #~ msgstr "座標タイプ:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "一意なデカルト座標" #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrant internals" #~ msgid "MOPAC Z-Matrix" #~ msgstr "MOPACのZ-マトリックス" #~ msgid "Use Symmetry During Calculation" #~ msgstr "計算を行う際に対称性を利用する" #~ msgid "Point Group:" #~ msgstr "点群:" #~ msgid "Minutes" #~ msgstr "分" #~ msgid "Hours" #~ msgstr "時間" #~ msgid "Days" #~ msgstr "日" #~ msgid "Weeks" #~ msgstr "週" #~ msgid "Years" #~ msgstr "年" #~ msgid "Millenia" #~ msgstr "千年" #~ msgid "MegaWords" #~ msgstr "メガワード" #~ msgid "MegaBytes" #~ msgstr "メガバイト" #~ msgid "GigaWords" #~ msgstr "ギガワード" #~ msgid "GigaBytes" #~ msgstr "ギガバイト" #~ msgid "Force Parallel Methods" #~ msgstr "必ず並列法を実施" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "中止時にコアファイルを生成" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "ヤコビ" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "メモリ:" #~ msgid "Diagonalization Method:" #~ msgstr "対角化の手法:" #~ msgid "Parallel Load Balance Type" #~ msgstr "並列負荷分散タイプ" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "ループ" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "次回の値" #~ msgid "Use External Data Representation for Messages" #~ msgstr "メッセージに外部データ表現を使用" #~ msgid "Initial Guess:" #~ msgstr "初期推定:" #~ msgid "Hückel" #~ msgstr "ヒュッケル" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO Read ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO Saved (DICTNRY)" #~ msgid "Skip" #~ msgstr "スキップ" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "αおよびβ軌道を回転させる" #~ msgid "Print the Initial Guess" #~ msgstr "初期推定を印刷する" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "他のコードとの GAMESS インターフェース" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "必ず CHECK ランを実行" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK 版)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussian 9x" #~ msgid "Solvate with Water" #~ msgstr "水で溶媒和する" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "UHF自然軌道を生成する" #~ msgid "Direct SCF" #~ msgstr "ダイレクトSCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Fock 行列の変更のみを計算" #~ msgid "Slater exchange" #~ msgstr "Slater交換汎関数" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 交換汎関数" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair (VWN5) 相関汎関数" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr 相関汎関数" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater exchange + VWN 相関汎関数" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE exchange + VWN5 相関汎関数" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE exchange + LYP相関汎関数" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill 1996 交換汎関数" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof (PBE) 交換汎関数" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: 1パラメータプログレッシブ相関" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr (LYP) 相関汎関数" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP 相関汎関数" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE exchange + OP 相関汎関数" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL exchange + VWN5 相関汎関数" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL exchange + LYP 相関汎関数" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE 交換 + VWN6 相関汎関数" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE 交換 +LYP 相関汎関数" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE 交換 + OP 相関汎関数" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF and BECKE 交換 + LYP 相関汎関数" #~ msgid "Grid-Free" #~ msgstr "Grid-Free" #~ msgid "DFT Functional:" #~ msgstr "DFT 汎関数" #~ msgid "AO Integral Storage" #~ msgstr "AO積分の保管場所" #~ msgid "Duplicated on Each Node" #~ msgstr "各ノードで複製" #~ msgid "Distributed Across All Nodes" #~ msgstr "すべてのノードに分散させる" #~ msgid "words" #~ msgstr "words" #~ msgid "Compute MP2 Properties" #~ msgstr "MP2特性を計算する" #~ msgid "Integral Retention Cutoff:" #~ msgstr "積分保持カットオフ値:" #~ msgid "Use Localized Orbitals" #~ msgstr "局在化軌道を使用する" #~ msgid "# of Core Electrons:" #~ msgstr "コア電子の数" #~ msgid "Transformation Method" #~ msgstr "変換法" #~ msgid "Two Phase Bin Sort" #~ msgstr "2相2分木ソート" #~ msgid "Segmented Transformation" #~ msgstr "分割変換" #~ msgid "Numeric" #~ msgstr "数値" #~ msgid "Double Differenced Hessian" #~ msgstr "二次微分ヘシアン行列" #~ msgid "Print Internal Force Constants" #~ msgstr "内部座標による力の定数を印刷する" #~ msgid "Displacement Size:" #~ msgstr "変位の大きさ：" #~ msgid "Purify Hessian" #~ msgstr "ヘシアンをクリーンアップ" #~ msgid "Frequency Scale Factor:" #~ msgstr "振動数のスケーリング因子:" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "初期ヘシアン行列" #~ msgid "Guess (+ define)" #~ msgstr "Guess (+ define)" #~ msgid "Read (from $HESS)" #~ msgstr "$HESSから読み込む" #~ msgid "Update Step Size" #~ msgstr "ステップ幅を更新する" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "繰り返しごとに軌道を印刷する" #~ msgid "Jump Size:" #~ msgstr "Jump Size:" #~ msgid "Stationary Point" #~ msgstr "定留点" #~ msgid "Initial:" #~ msgstr "初期値:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Newton-Raphson" #~ msgid "Quadratic Approximation" #~ msgstr "二次近似" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (準i-NR)" #~ msgid "Constrained Optimization" #~ msgstr "制約付き最適化" #~ msgid "Recalculate Hessian Every:" #~ msgstr "毎回ヘシアン行列を再計算する" #~ msgid "Follow Mode:" #~ msgstr "次のモードにしたがう:" #~ msgid "GAMESS-UK Input" #~ msgstr "GAMESS-UK インプット" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Avogadro による GAMESS-UK インプット" #~ msgid "Transition State Search" #~ msgstr "遷移状態検索" #~ msgid "Basis:" #~ msgstr "基底関数:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Z-マトリックス" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "ダイレクトモードでは積分値はディスクに保存されませんが、必要に応じて再計算" #~ "されます。\n" #~ "高速なプロセッサとアクセスの遅いディスクを持つ現代的なシステムでは\n" #~ "ダイレクトモードの方がおおむね高速です。" #~ msgid "Run in direct mode:" #~ msgstr "ダイレクトモードで実行:" #~ msgid "Gaussian Input" #~ msgstr "Gaussianの入力" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "標準" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "チェックポイント:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-マトリックス（コンパクト）" #~ msgid "MOLPRO Input" #~ msgstr "MOLPROの入力" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Molpro バージョン:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "MOPAC インプット" #~ msgid "Quartet" #~ msgstr "カルテット" #~ msgid "Quintet" #~ msgstr "クインテット" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "NWChem インプット" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP5" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem インプット" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "TeraChem インプット" #~ msgid "B3LYP1" #~ msgstr "B3LYP5" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "非制限" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "なし" #~ msgid "yes" #~ msgstr "あり" #~ msgid "D2" #~ msgstr "D2" #~ msgid "D3" #~ msgstr "D3" #~ msgid "Dispersion:" #~ msgstr "分散:" #~ msgid "Load Shaders" #~ msgstr "シェーダをロードする" #~ msgid "Shader Name:" #~ msgstr "シェーダ名:" #~ msgid "Vertex Shader:" #~ msgstr "頂点シェーダ:" #~ msgid "Fragment Shader:" #~ msgstr "フラグメントシェーダ:" #~ msgid "Assign Shader" #~ msgstr "シェーダを指定する" #~ msgid "Display Type:" #~ msgstr "表示タイプ:" #~ msgid "Font:" #~ msgstr "フォント :" #~ msgid "Change Font..." #~ msgstr "フォントを変更..." #~ msgid "Foreground:" #~ msgstr "前景色:" #~ msgid "New..." #~ msgstr "新規..." #~ msgid "Rename..." #~ msgstr "名称変更..." #~ msgid "&Schemes:" #~ msgstr "スキーム(&S)" #~ msgid "&DPI:" #~ msgstr "DPI(&D)" #~ msgid "&Width:" #~ msgstr "幅(&W):" #~ msgid "&Height" #~ msgstr "高さ(&H)" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "px" #~ msgstr "px" #~ msgid "&Save Image..." #~ msgstr "画像を保存(&S)..." #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "スキームが指定したフォントサイズの代わりに最適化された値を使用しまする（画" #~ "面から画像へのポイントサイズの変換はうまくいかない！）" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "フォントサイズの自動調整 (&o)" #~ msgid "Spectra Tab" #~ msgstr "スペクトルタブ" #~ msgid "&Gaussian Width:" #~ msgstr "ガウス関数の幅 (&G) :" #~ msgid "&Label peaks" #~ msgstr "ピークをラベル (&L)" #~ msgid "Rotatory Strength type:" #~ msgstr "回転の強さのタイプ:" #~ msgid "Energy units:" #~ msgstr "エネルギー単位:" #~ msgid "Density units" #~ msgstr "密度単位" #~ msgid "Fermi Energy: " #~ msgstr "フェルミエネルギー: " #~ msgid "States / Cell" #~ msgstr "1セルあたり状態数" #~ msgid "States / Atom" #~ msgstr "1原子あたり状態数" #~ msgid "States / Valence electron" #~ msgstr "1価電子あたり状態数" #~ msgid "Fermi energy at zero" #~ msgstr "ゼロ点フェルミエネルギー" #~ msgid "Scale integrated DOS" #~ msgstr "積算状態密度でスケール" #~ msgid "Show integrated DOS" #~ msgstr "積算状態密度を表示" #~ msgid "tab_IR_Raman" #~ msgstr "IR ラマンラブ" #~ msgid "&Y Axis Units:" #~ msgstr "Y軸の単位(&Y)" #~ msgid "Scaling Type:" #~ msgstr "スケーリングタイプ:" #~ msgid "Relative" #~ msgstr "相対値" #~ msgid "Laser Wavenumber:" #~ msgstr "レーザー波数:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Nucleus:" #~ msgstr "核:" #~ msgid "Gaussian &Width:" #~ msgstr "ガウス関数の幅(&W):" #~ msgid "Reset &Plot Axes" #~ msgstr "軸をリセットしてプロットする" #~ msgid "Label Peaks:" #~ msgstr "ピークをラベル:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "分子振動" #~ msgid "Filter: " #~ msgstr "フィルタ: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "アクティビティ (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "スペクトルを表示 (&S)..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "高振動数の振動を速い運動で表示" #~ msgid "Animation speed set by frequency" #~ msgstr "振動数に応じたアニメーション速度" #~ msgid "Display force &vectors" #~ msgstr "力のベクトルを表示 (&v)" #~ msgid "&Normalize displacements" #~ msgstr "変位を正規化 (&N):" #~ msgid "&Recalculate All" #~ msgstr "すべて再計算 (&R)" #~ msgid "Default &Quality:" #~ msgstr "デフォルトの画質 (&Q):" #~ msgid "Show occupied orbitals first" #~ msgstr "最初に占有軌道を表示" #~ msgid "Limit orbital precalculations to " #~ msgstr "軌道の前計算を " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "個の HOMO/LUMO 周辺軌道に限定" #~ msgid "Surface Type:" #~ msgstr "表面のタイプ:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "低" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "中" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "高" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "最高" #~ msgid "Isosurface cutoff value" #~ msgstr "等値面のカットオフ値" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "表示タイプ:" #~ msgid "New Display" #~ msgstr "新規表示" #~ msgid "Advanced..." #~ msgstr "詳細..." #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "長さ(&L):" #~ msgid "Uni&t:" #~ msgstr "単位(&T)" #~ msgid "periodic units" #~ msgstr "周期単位" #~ msgid "angstrom" #~ msgstr "オングストローム" #~ msgid "bohr radii" #~ msgstr "ボーア半径" #~ msgid "nanometers" #~ msgstr "ナノメートル" #~ msgid "&Cap with hydrogen" #~ msgstr "水素終端(&C)" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "これには時間がかかるおそれがあります。\n" #~ "原子座標のみが必要の場合（量子力学計算に必要な場合など）、\n" #~ "単結合のみによる表示で十分でしょう。" #~ msgid "Find &double bonds" #~ msgstr "二重結合を検出(&D)" #~ msgid "Molecular Symmetry" #~ msgstr "分子の対称性" #~ msgid "Display visual cues" #~ msgstr "3D 矢印を表示" #~ msgid "Python Settings" #~ msgstr "Python 設定" #~ msgid "Z Matrix Editor" #~ msgstr "Z-マトリックスエディタ" avogadrolibs-1.100.0/i18n/ka.po000066400000000000000000010077331474375334400160700ustar00rootroot00000000000000# Translations for the Avogadro molecular builder. # Copyright (C) 2006-2021 The Avogadro Project # This file is distributed under the same license as the Avogadro package. # Temuri Doghonadze , 2022. # Temuri Doghonadze , 2022, 2023, 2024. # Weblate Translation Memory , 2024. msgid "" msgstr "" "Project-Id-Version: Avogadro 1.95.1\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2024-02-24 01:26+0000\n" "Last-Translator: Temuri Doghonadze \n" "Language-Team: Georgian \n" "Language: ka\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.5-dev\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "დავალებების კრებული #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "შეტყობინება მითითებული არაა." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "დაბრუნებული გაფრთხილება სტრიქონი არაა." #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "'გაფრთხილებების' წევრი მასივს არ წარმოადგენს." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "ფაილის (%1) შევსების შეცდომა: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "სკრიპტის გამოტანა:\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "მოლეკულის წარმოდგენის სტრიქონში შენახვის შეცდომა: %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "გაგრძელება" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "დახურვა" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "უცნობი" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "%1 გამოთვნის გადაცემა" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "დავალების შეცდომა" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "დავალება წარმატებით არ დასრულებულა." #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "სკრიპტმა დააბრუნა გაფრთხილებები:\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "გაფრთხილებების &დამალვა" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "გაფრთხილებების &ჩვენება" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "შეცდომა ოპერაციის შესრულებისას:" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "აირჩიეთ გამოტანის ფაილის სახელი" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "შიდა შეცდომა: ტექსტური ვიჯეტის პოვნა ფაილისთვის '%1' შეუძლებელია" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "გამოტანის შეცდომა" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "ფაილის ჩაწერის შეცდომა: %1." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "აირჩეთ გამოტანის საქაღალდე" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: საქაღალდე არ არსებობს!" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: საქაღალდის წაკითხვის შეცდომა!" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: ფაილს თავზე გადაეწერება." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: ფაილი ჩაწერადი არაა." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "დავალების მორგება" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "ლოდინის შეწყვეტა" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "პროგრამა არჩეული არაა." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "შიდა შეცდომა." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "BackgroundFileFormat-ში მოლეკულა დაყენებული არაა!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "BackgroundFileFormat-ში Io::FileFormat დაყენებული არაა!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "BackgroundFileFormat-ში ფაილის სახელი მითითებული არაა!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "ჰორიზონტალურად გაყოფა" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "ვერტიკალურად გაყოფა" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "წყალბადი" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "ჰელიუმი" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "ლითიუმი" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "ბერილიუმი" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "ბორი" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "ნახშირბადი" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "აზოტი" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "ჟანგბადი" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "ფთორი" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "ნეონი" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "ნატრიუმი" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "მაგნიუმი" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "ალუმინი" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "სილიციუმი" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "ფოსფორი" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "გოგირდი" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "ქლორი" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "არგონი" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "კალიუმი" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "კალციუმი" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "სკანდიუმი" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "ტიტანი" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "ვანადიუმი" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "ქრომი" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "მანგანუმი" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "რკინა" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "კობალდი" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "ნიკელი" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "სპილენძი" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "თუთია" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "გალიუმი" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "გერმანიუმი" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "დარიშხანი" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "სელენი" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "ბრომი" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "კრიპტონი" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "რუბიდიუმი" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "სტრონციუმი" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "იტრიუმი" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "ცირკონიუმი" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "ნიობიუმი" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "მოლიბდენი" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "ტექნეციუმი" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "რუთენიუმი" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "როდიუმი" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "პალადიუმი" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "ვერცხლი" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "კადმიუმი" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "ინდიუმი" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "კალა" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "სტიბიუმი" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "ტელური" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "იოდი" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "ქსენონი" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "ცეზიუმი" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "ბარიუმი" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "ლანთანი" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "ცერიუმი" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "პრაზეოდიმიუმი" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "ნეოდიმიუმი" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "პრომეთიუმი" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "სამარიუმი" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "ევროპიუმი" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "გადოლინიუმი" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "ტერბიუმი" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "დისპროზიუმი" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "ჰოლმიუმი" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "ერბიუმი" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "თულიუმი" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "იტერბიუმი" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "ლუტეციუმი" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "ჰაფნიუმი" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "ტანტალი" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "ვოლფრამი" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "რენიუმი" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "ოსმიუმი" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "ირიდიუმი" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "პლატინა" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "ოქრო" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "ვერცხლისწყალი" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "თალიუმი" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "ტყვია" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "ბისმუტი" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "პოლონიუმი" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "ასტატი" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "რადონი" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "ფრანციუმი" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "რადიუმი" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "აქტინიუმი" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "თორიუმი" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "პროტაქტინიუმი" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "ურანი" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "ნეპტუნიუმი" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "პლუტონიუმი" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "ამერიციუმი" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "კურიუმი" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "ბერკლიუმი" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "კალიფორნიუმი" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "აინშტანიუმი" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "ფერმიუმი" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "მენდელეევიუმი" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "ნობელიუმი" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "ლოურენციუმი" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "რეზერფორდიუმი" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "დუბნიუმი" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "სიბორგიუმი" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "ბორიუმი" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "ჰასიუმი" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "მეიტნერიუმი" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "დარმშტადტიუმი" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "რენტგენიუმი" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "კოპერნიციუმი" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "ნიჰონიუმი" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "ფლეროვიუმი" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "მოსკოვიუმი" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "ლივერმორიუმი" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "ტენესინი" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "ოგანესონი" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "დათვალიერება" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "აირჩიეთ ფაილი:" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "აირჩიეთ გამშვები ფაილი:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "დამმუშავებლები" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "სახელური" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "მკითხველები" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "კითხვა" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "ჩამწერები" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "ჩაწერა" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "ყველა ფაილი" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "ყველა მხარდაჭერილი ფორმატი" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "%1 შეტყობინება" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "მოლეკულის წარმოდგენის სტრიქონში ჩაწერის შეცდომა: %1" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "ჩანართი %1" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "სათაური" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "პროცესორის ბირთვები" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "გამოთვლის ტიპი" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "თეორია" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "ბაზისი" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "მუხტი" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "გამრავლებადობა" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "[მოლეკულის გარეშე]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "ფენა %1" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "მულტფილმი" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "კონტაქტების დახურვა" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "კრისტალური მესერი" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "ძალა" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "ჭდეები" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "ბადეები" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "არაკოვალენტური" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "სიმეტრიის ელემენტები" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "ვან დერ ვაალსი" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "მოდელი" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "უსახელო" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "ახალი ხედის შექმნა" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "პერიოდული სისტემა" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "ფრთხილად '%1'" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "სკრიპტის გაშვების შეცდომა." #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "სკრიპტი ავარიულად დასრულდა." #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "სკრიპტის მოლოდინის დრო გავიდა." #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "წაკითხვის შეცდომა." #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "ჩაწერის შეცდომა." #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "უცნობი შეცდომა." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "ფენების ჩასწორება" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "ფენის წაშლა" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "ფენის ინფორმაციის წაშლა" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "ფენის დამატება" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "ფენის ინფორმაციის დამატება" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "ფენების შეცვლა" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "ატომის დამატება" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "ატომის წაშლა" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "ატომის გასუფთავება" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "წყალბადების დალაგება" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "ელემენტების შეცვლა" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "ელემენტის შეცვლა" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "ატომის ჰიბრიდიზაციის შეცვლა" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "ატომის ფორმალური მუხტის შეცვლა" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "ატომის ფერის შეცვლა" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "ატომის ფენის შეცვლა" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "ბმის დამატება" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "წაშლილი მიბმა" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "ბმის გასუფთავება" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "ბმის მიმდევრობის დაყენება" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "ბმის მიმდევრობის შეცვლა" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "ბმების განახლება" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "ბმის განახლება" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "ერთეულის უჯრედის წაშლა" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "ერთეულის უჯრედის ჩასწორება" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "უჯრედის მოცულობის შეცვლა" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "ზეუჯრედის აშენება" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "ატომის მდებარეობების შეცვლა" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "ატომის მდებარეობის შეცვლა" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "ატომის ჭდის შეცვლა" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "მონიშნულის შეცვლა" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "მორგება" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "ვერ ჩავტვირთე სკრიპტი %1" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&ფაილი" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "&გატანა" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "3DMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&აგება" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "ელემენტი:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "სწორება" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "ღერძი:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "გასწორების ხელსაწყო" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "გამოტანის ფაილის გახსნა…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "&შეყვანა" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "გამოტანის ფაილის გახსნა" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX ფაილი (*.dx)" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "შ/გ-ის შეცდომა" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "OpenDX-ის შეცდომა" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "PDB ფაილის გახსნა" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB ფაილები (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "PQR ფაილის გახსნა" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR ფაილები (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "შეცდომა" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "წარმატება" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "ნაწილობრივი მუხტით…" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "მეორადი სტრუქტურით" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "პარულა" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "სითბო" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "ცხელი" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "ნაცრისფერი" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "ჯოჯოხეთი" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "პლაზმა" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "სპექტრალური" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "ნელთბილი" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "ბალანსი" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "ტურბო" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&ხედი" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "ფერადი ატომები" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "აირჩიეთ ფერების რუკა" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "ფერების რუკა:" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "ფერებისგადატარება" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "_გაუმჭვირვალობა" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "წყალბადების ჩვენება" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "%L1°" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "%L1 Å" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "ბმის მიმდევრობის აღქმა" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "ბმების წაშლა" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "მონიშნული ატომების მიბმა" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "ბმა" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "ბმის მიმდევრობის აღქმა." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "მიბმა" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "ტრეისი" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "მილი" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "ლენტა" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "მულტფილმი" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "თოკი" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "ცენტრის მასის დამატება" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "მართვა" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "მაქსიმალური დაშორება:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "ხაზის სიგანე:" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "კონტაქტი" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "მარილის ხიდი" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&გაფართოებები" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "ფერისგაუმჭვირვლობისრუკა" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "სკრიპტები" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "%1-ის დამუშავება" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "ბრძანების სკრიპტები" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "სხვა…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "კოორდინატების რედაქტორი" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "გადავაწერო ცვლილებები?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "ერთ ხაზზე ძალიან ბევრი ელემენტია." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "ელემენტის არასწორი სახელი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "ელემენტის სახელი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "ელემენტის არასწორი სიმბოლო." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "ელემენტის სიმბოლო." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "არასწორი ატომის ჭდე." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "არასწორი ატომური ინდექსი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "ატომური ინდექსი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "არასწორი ატომური ნომერი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "ატომური ნომერი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "არასწორი კოორდინატი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X კოორდინატი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y კოორდინატი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z კოორდინატი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' ბადის კოორდინატი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' ბადის კოორდინატი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' ბადის კოორდინატი." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "გეომეტრიის გადატარების შეცდომა" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "ხელით" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ ფორმატი (სიმბოლოები)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ ფორმატი (სახელები)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ ფორმატი (ატომური ნომრები)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "კოპირება" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "InChI" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "ამოჭრა" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "გასუფთავება" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "&ჩასმა" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "&ჩასწორება" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "კოპირება, როგორც" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "გამოტანის ფორმატი: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "წამკითხველის შეცდომა:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "მოლეკულის ჩასმის შეცდომამ" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "ნაპოვნია ფორმატი: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "კოპირეფა და ჩასმა" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "ბუფერთან ურთიერთობა." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2K შეტანა" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "ენერგია" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "ენერგია და ძალები" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "მოლეკულური დინამიკა" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "გეომეტრიის ოპტიმიზაცია" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "მოლეკულური მექანიკა" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "არცერთი" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "ATOMIC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "ბირთვი" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "სიმკვრივეები" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "შემთხვევითი" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "გადატვირთვა" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "CP2K გამოთვლის გადაცემა" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "ერთეულის უჯრედის ჩასწორება…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "უჯრედის &მოცულობის მასშტაბი…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "&კრისტალი" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "&ერთეულის უჯრედის წაშლა" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "ე&რთეულის უჯრედის დამატება" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "კრისტალი" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "ფერის ღერძები:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "ხაზის ფერი:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "ტექსტის დამუშავების შეცდომა" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "ხატვა" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "ატომის დახატვა" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "ბმის ტიპის შეცვლა" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "ბმის წაშლა" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "მანძილი:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "%1 %L2" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "რედაქტორი" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "ავტომატური" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "ერთი" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "ორმაგი" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "სამმაგი" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "&შემოტანა" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "PDB-ის გადმოწერა" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB კოდი" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "გადმოსაწერი ქიმიური სტრუქტურა." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "%1-ის გამოთხოვა" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "ქსელიდან გადმოწერის შეცდომა" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "ქსელის დრო ამოიწურა ან სხვა შეცდომა." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "PDB-დან გადმოწერა" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "ფოკუსის არჩევა" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "ფოკუსის მოხსნა" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "ფოკუსი" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "გეომეტრიის ოპტიმიზაცია" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "მორგება…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "მონიშნული ატომების გაყინვა" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "მონიშნული ატომების გადნობა" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "&გამოთვლა" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "ძალის ველის ოპტიმიზაცია" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "ავტოამოცნობა (%1)" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "სიხშირეები" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "აირი" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "წყალი" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "ერთი" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "ორმაგი" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "სამმაგი" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "დიკათიონი" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "კათიონი" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "ნეიტრალური" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "ანიონი" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "დიანიონი" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&წყალბადების დალაგება" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "წყალბადების დამატება" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "&ზედმეტი წყალბადების წაშლა" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&ყველა წყალბადის წაშლა" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "&წყალბადები" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "წყალბადები" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "&PQR-ის მოძებნა…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "PQR_დან შემოტანა" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&ჩასმა" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "DNA/RNA-ის ჩასმა…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "ურაცილი" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "ტერა" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "თიმინი" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "მოლეკულის ჩასმა…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "DNA-ის ჩასმა" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "მოლეკულა…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "კრისტალი…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "ფაილის წაკითხვის შეცდომა (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "კრისტალის შემოტანა" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "ფრაგმენტის ჩასმა" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "ფრაგმენტის ჩასმა" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "ფერი:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "მანძილი ცენტრიდან:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "არაფერი" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "ინდექსი" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "ელემენტი" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "ელემენტი და ნომერი" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "ატომის ჭდე:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "სახელი" #: qtplugins/label/label.cpp:236 msgid " & " msgstr " & " #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "ჭდეების გამართვა" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "ჭდის შექმნა" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "გაუმჭვირვალობა:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "გაზომვა" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "კუთხე:" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "კუთხეები:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "მანძილმზომი" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(დარჩენილი)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "უცნობი მოლეკულა" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "&მოლეკულარული…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "&ანალიზი" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&თვისებები" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "მოლეკულური თვისებები" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "მოლეკულის თვისებები" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "CSV-ის გატანა" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV ფაილები (*.csv);;ყველა ფაილი (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "ფაილის ჩასაწერად გახსნა ვერ ხერხდება." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "ფაილში ჩაწერის შეცდომა." #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "გატანა…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "ნავიგაცია" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "ნავიგაციის ხელსაწყო" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "ქიმიური სახელი" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "ქსელური მონაცემთა ბაზები" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "კუთხის თვისებები:" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "ჰალოგენი" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "ქალკოგენი" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "წყალბადების წაშლა" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "გენერაცია…" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "%1-ის გაშვება…" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "მოლეკულის განახლება…" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "%1-ის გაშვება…" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "მწვერვალი" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "სიმართლე" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "დამკვრელი" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "დაკვრა" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "შეჩერება" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "კადრების სიხშირე:" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr " კადრი/წმ" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "ჩარჩო:" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "ვიდეო (*.mp4)" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "Bitmap გრაფიკის ექსპორტი" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "ვიდეო (*.mp4);;ვიდეო (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "ვიდეო (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "ფაილის შენახვის შეცდომა: %1 ." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "შეცდომის შეტყობინება: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "შეცდომა: " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "განახლება" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "ვერსია" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "აღწერა" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "ყოველთვის" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "არასდროს" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "დამატებების გადმოწერა…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "დამატებების გადმოწერა" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "დამატებების გადმოწერა GitHub რეპოზიტორიებიდან." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY რენდერი…" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "ფაილის შენახვა" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.wrl);;ტექსტური ფაილი (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray რენდერი…" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;ტექსტური ფაილი (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "ვალენსი" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "ფორმალური მუხტი" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "ფერი" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "ატომი" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "ტიპი" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "საწყისი ატომი" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "საბოლოო ატომი" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "სიგრძე (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "ჯაჭვი" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "მეორეული სტრუქურა" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "ჰეტეროგენი" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "ატომი 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "წვერო" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "ატომი 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "კუთხე (°)" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "ატომი 2" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "ატომი 3" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "ფრაგმენტის მორგება" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "π სპირალი" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "ბენდი" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "α სპირალი" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "β ფურცელი" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 სპირალი" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "β ხიდი" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "გრუპეტო" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "ატომის თვისებები…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "ბმის თვისებები…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "კუთხის თვისებები…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "ნარჩენების თვისებები…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "ატომის თვისებები" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "ბმის თვისებები" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "კუთხის თვისებები" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "ნარჩენების თვისებები" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN ფაილები (*.wfn);;ყველა ფაილი (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "ცენტრი" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "ხედის სწორება ღერძებზე" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "ხედის სწორება ღერძებზე." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "დამუხტული მოდელების სკრიპტი" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "ყველას მონიშვნა" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "მონიშვნის მოხსნა" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "მონიშვნის ინვერსია" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "ელემენტის მიხედვით მონიშვნა…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "ატომის ინდექსის მიხედვით მონიშვნა…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "აირჩიეთ ხერხემალი ატომები…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "აირჩიეთ გვერდითი ატომები…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "აირჩიეთ წყალი" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "მონიშვნის გადიდება" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "მონიშნულის დაპატარავება" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "მონიშნულების შეცვლა" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&მონიშვნა" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "მონიშნეთ ელემენტი" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "აირჩიეთ ხერხემალი" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "აირჩიეთ გვერდები" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "აირჩიეთ ატომი" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "აირჩიეთ ნარჩენი" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "არჩევა" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "მონიშნული" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "მონიშვნის ხელსაწყო" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "ახალი ფენა" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "წარუმატებელი" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "საერთაშორისო" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "სპექტრის დახაზვა…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "სპექტრები" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "ელექტრონული" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "აირჩიეთ ფონის ფერი" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "აირჩიეთ წინა პლანის ფერი" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "რამანის სპექტრი" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "ინტენსივობა" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "NMR სპექტრი" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "ქიმიური წანაცვლება (პპმ)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "სიმკვრივე" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "სიმეტრია" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "სპინის სიმკვრივე" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "მო %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "ფაილიდან" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "ზედაპირების შექმნა…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "მოლეკულური ორბიტალის რენდერი." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "ელექტრონების სიმკვრივის რენდერი." #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "ელექტრონების სიმკვრივის გამოთვლა" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "სპინის სიმკვრივის გამოთვლა" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "მოლეკულური ორბიტალის %L1 გამოთვლა" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "ვიდეო AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "ვიდეოს გატანა" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "კინო MP4 (*.mp4);;ფილმი AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "ზედაპირები" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "კლასი" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "სიმეტრია…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "ჯგუფი %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "შაბლონი" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "შაბლონის ჩასმა" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "ლიგანდის ჩასმა" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "შაბლონის ხელსაწყო" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "ვიბრაციები" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "VRML რენდერი…" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;ტექსტური ფაილი (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "ფერმის დონე" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "შეცდომა: %1-ის გაშვების შეცდომა" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "ფანჯარა" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "ფორმა" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "საწყისი პარამეტრები" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "გამოთვლის გადაცემა…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "განახლება" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "პროცესორის ბირთვები:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "ფრაგმენტის ჩასმა…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "ფილტრი:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "ჩამატება" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "ბუფერში კოპირება" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB ფაილი:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "ძალის ველი:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "წარმატება!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "ნაწილობრივი მუხტები" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "მუხტის მოდელი:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "მინიმალური დაშორება:" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "კუბი" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "გარემო:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "კოორდინატების რედაქტორი" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "პრესეტი:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "ანგსტრემი" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "ბორი" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "ფორმატი:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "დახმარება…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "ჩასმა" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "დაბრუნება" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "გამოყენება" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2K შეტანა" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "ყველა საწყისი მნიშვნელობის დაბრუნება" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "ნაგულისხმევი მნიშვნელობები" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "ფაილის შენახვა…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "ძ&ირითადი პარამეტრები" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "სათაური:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "დავალება" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "გამოთვლა:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "მეთოდი:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "ფუნქციონალი" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "TRUE" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "OUTER EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "გამოყენება" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&დაბრუნება" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&დამალვა" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "გადიდები&ს მასშტაბი:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "მიმდინარე მოცულობა:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "ტექსტური ჭდე" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "ენერგიის კონვერგენცია:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " ერთეული" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " ნაბიჯები" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "ძალის ველი:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "ავტოამოცნობა" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "გამრავლებადობა:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "მუხტი:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "PQR-დან შემოტანა…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "ძებნა" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "სახელი" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "ჭდე" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "სინონიმი" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "ფორმულა" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "ფორმულა:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "ჩამოტვირთვა" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "სახელი:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "ნუკლეინის მჟავების ჩასმა" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "დნმ /რნმ-ის ამგები" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "დნმ" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "რნმ" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "ნუკლეინის მჟავები:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "ადენინი" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "ციტოზინი" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "გუანინი" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "ტერა" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "მიმდევრობა:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "ზეტა" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "სხვები" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "ერთი" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "ორმაგი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "საზომი ერთეულები" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "რეალი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "ლითონი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "ელექტრონი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "ატომის სტილი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "კუთხე" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "გადაბმა" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "მუხტი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "მთლიანი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "ხაზი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "მოლეკულური" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "სფერო" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "ტრი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "ანსამბლი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "ტემპერატურა" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "დროის ბიჯი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "ზომები" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "პიკო" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "ფ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "მილი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "ფწმ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "ფმ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "რეპლიკაცია" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "სულ ბიჯები" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "ფორმა" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "გამოტანა" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3D" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "ერთი ხაზი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "მრავალხაზიანი" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "ფორმის გამოყენება" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "გენერაცია…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "დესკრიპტორი:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "საწყისი" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X-ღერძი" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y-ღერძი" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z-ღერძი" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "მეთოდი" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "კონფორმერების რაოდენობა:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "შვილები:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "დადუმებადობა:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "კონვერგენცია:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "მარტივი" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "Å" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "ენერგიის კონვერგენცია:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "სკრიპტი" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "პლატფორმა:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "მიბმა" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "სიზუსტე:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "ერთი" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "შერეული" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "ორმაგი" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "შეზღუდვები:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "ტყუილი" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr " ნმ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "ყავისფერი" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "ტემპერატურა:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "მონტე კარლო" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "წნევა:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr " ატმ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "დრო" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "სიჩქარე" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "მიმდინარეობა" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "ტომი" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "წერტილების რაოდენობა:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "მაქს. სიგანე:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "ტალღის სიგრზე:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "მონიშნულის გადმოწერა" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "კოვალენტური" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "კონსტანტის ზომა" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "ფერის გადატარება" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "გადიდების ფაქტორი:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "წანაცვლება:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "მაქს. სიგანე:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&გარეგნობა" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "ჩვენება" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&შემოტანა…" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "ფერის დაყენება…" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&გატანა…" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "ფონი:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "გამოთვლილი სპექტრი:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "ფონტის ზომა:" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "მონაცემების გატანა" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&დახურვა" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&მორგება…" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "ძალიან დაბალი" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "დაბალი" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "საშუალო" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "მაღალი" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "ძალიან მაღალი" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "ზედაპირების შექმნა" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "ზედაპირი:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "ალფა" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "ბეტა" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "გარჩევადობა:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "მოგლუვება:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "ღია" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "ძლიერი" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "გამოთვლა" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "მოლეკულა" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "ოპერაციები" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "სიმეტრიის ელემენტები:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "ქვეჯგუფები" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "ქვეჯგუფები:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "დაშვება:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "ვიწრო" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "ჩვეულებრივი" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "ცენტრები" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "ფორმალური მუხტი:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "0" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "+1" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "+2" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "+3" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "+4" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "+5" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "+6" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "+7" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "კოორდინაცია:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "ლიგანდები" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "ტიპი:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "მონოდენტატური" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "ბიდენტატური" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "ტრიდენტატური" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "ტეტრადენტატური" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "ჰექსადენტატური" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "გაცვლის ბუფერიდან" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "ლიგანდი:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "ჯგუფები" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "ჯგუფი:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "ამიდი" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "კარბოქსილატი" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "ესტერი" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "ნიტრო" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "ფენილ" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "სულფონატი" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "ამპლიტუდა:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "მინ Y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "მაქს y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "

      ფერმის დონე

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "Temuri Doghonadze" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "Temuri.doghonadze@gmail.com" #~ msgid "eV" #~ msgstr "ევ" #~ msgid "eV)" #~ msgstr "ევ)" #~ msgid "Partial Charge" #~ msgstr "ნაწილობრივი მუხტი" #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "ვან დერ ვაალსი (AO)" #~ msgid "Geometry" #~ msgstr "გეომეტრია" #~ msgid "Add Unit Cell" #~ msgstr "ერთეულის უჯრედის დამატება" #~ msgid "By Distance" #~ msgstr "დაშორებით" #~ msgid "Select Water…" #~ msgstr "აირჩიეთ წყალი…" #~ msgid "&Copy" #~ msgstr "&კოპირება" #~ msgid "Molecule Name:" #~ msgstr "მოლეკულის სახელი:" #~ msgid "Chemical Formula:" #~ msgstr "ქიმიური ფორმულა:" #~ msgid "Number of Atoms:" #~ msgstr "ატომების რიცხვი:" #~ msgid "Number of Bonds:" #~ msgstr "ბმების რიცხვი:" #~ msgid "TODO" #~ msgstr "განრიგის სია" #~ msgid "Line Size:" #~ msgstr "ხაზის ზომა:" #~ msgid "Optimize" #~ msgstr "ოპტიმიზაცია" #~ msgid ", " #~ msgstr ", " #~ msgid "Fragment…" #~ msgstr "ფრაგმენტი…" #~ msgid "Help..." #~ msgstr "დახმარება..." #~ msgid "Save File..." #~ msgstr "ფაილის შენახვა..." #~ msgid "Download Plugins..." #~ msgstr "დამატებების გადმოწერა…" #~ msgid "Other..." #~ msgstr "სხვები…" #~ msgid "Client server operations." #~ msgstr "კლიენტ-სერვერის ოპერაციები." #~ msgid "S&erver" #~ msgstr "&სერვერი" #~ msgid "Connection failed" #~ msgstr "დაკავშირება ვერ მოხერხდა" #~ msgid "Remote service error" #~ msgstr "დაშორებული სერვისის შეცდომა" #, qt-format #~ msgid "Connection failed with: %1" #~ msgstr "შეერთების შეცდომა: %1" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*.%1" #~ msgid "Client server" #~ msgstr "კლიენტ-სერვერი" #~ msgid "Connection refused" #~ msgstr "დაკავშირება უარყოფილია" #~ msgid "Filename" #~ msgstr "ფაილის სახელი" #~ msgid "Formula" #~ msgstr "ფორმულა" #~ msgid "InChIKey" #~ msgstr "InChIKey" #~ msgid "&Hostname:" #~ msgstr "&ჰოსტის სახელი:" #~ msgid "Port" #~ msgstr "პორტი" #~ msgid "Look in:" #~ msgstr "ჩაიხედე:" #~ msgid "Navigate Back" #~ msgstr "უკან გადასვლა" #~ msgid "Navigate Forward" #~ msgstr "წინ გადასვლა" #~ msgid "File name:" #~ msgstr "ფაილის სახელი:" #~ msgid "OK" #~ msgstr "დიახ" #~ msgid "Files of type:" #~ msgstr "ტიპები:" #~ msgid "Cancel" #~ msgstr "გაუქმება" #~ msgid "http://localhost:8080/api/v1" #~ msgstr "http://localhost:8080/api/v1" #~ msgid "API Key:" #~ msgstr "API-ის გასაღები:" #~ msgid "Base URL:" #~ msgstr "საბაზისო URL:" #~ msgid "Config" #~ msgstr "კონფიგურაცია" #~ msgid "Upload" #~ msgstr "ატვირთვა" #~ msgid "Docker" #~ msgstr "Docker" #~ msgid "Container:" #~ msgstr "შემადგენლობა:" #~ msgid "Layer" #~ msgstr "ფენა" #~ msgid "Insert Molecule..." #~ msgstr "მოლეკულის ჩასმა..." #~ msgid "Z Å)" #~ msgstr "Z Å)" #, qt-format #~ msgid "%1: File exists and is not writable." #~ msgstr "%1: ფაილი არსებობს და ჩაწერადი არაა." avogadrolibs-1.100.0/i18n/kn.po000066400000000000000000007163231474375334400161060ustar00rootroot00000000000000# Kannada translation for avogadro # Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2010. # Ajith , 2023. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-13 03:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Kannada \n" "Language: kn\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n > 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:02+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "ತಿಳಿಯದ" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "BackgroundFileFormat ನಲ್ಲಿ ಯಾವುದೇ ಅಣುವನ್ನು ಹೊಂದಿಸಲಾಗಿಲ್ಲ!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "BackgroundFileFormat ನಲ್ಲಿ ಯಾವುದೇ ಫೈಲ್ ಹೆಸರನ್ನು ಹೊಂದಿಸಲಾಗಿಲ್ಲ!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "ಹೈಡ್ರೋಜನ್" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "ಹಿಲೀಯಂ" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "ಲಿಥೀಯಮ್" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "ಬೆರಿಲಿಯಂ" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "ಬೋರಾನ್" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "ಇಂಗಾಲ" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "ಸಾರಜನಕ" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "ಆಮ್ಲಜನಕ" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "ಫ್ಲೂರಿನ್" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "ನಿಯಾನ್" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "ಸೋಡಿಯಂ" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "ಮೆಗ್ನಿಷಿಯಮ್" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "ಅಲ್ಯುಮಿನಿಯಂ" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "ಸಿಲಿಕಾನ್" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "ರಂಜಕ" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "ಗಂಧಕ" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "ಕ್ಲೋರಿನ್" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "ಆರ್ಗನ್" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "ಪೊಟ್ಯಷಿಯಮ್" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "ಕ್ಯಾಲ್ಸಿಯಮ್" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "ಸ್ಕ್ಯಾಂಡಿಯಮ್" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "ಟೈಟಾನಿಯಂ" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "ವೆನಡಿಯಂ" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "ಕ್ರೊಮಿಯಂ" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "ಮ್ಯಾಂಗನೀಸ್" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "ಕಬ್ಬಿಣ" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "ಕೋಬಾಲ್ಟ್‌" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "ನಿಕ್ಕೆಲ್" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "ತಾಮ್ರ" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "ಸತು" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "ಗೇಲಿಯಮ್" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "ಜೆರ್ಮೇನಿಯಮ್" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "ಆರ್ಸೆನಿಕ್" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "ಸೆಲೆನಿಯಮ್" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "ಬ್ರೋಮಿನ್" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "ಕ್ರಿಪ್ಟಾನ್" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "ರುಬಿಡಿಯಮ್" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "ಜರ್ಕೋನಿಯಮ್" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "ಮಾಲಿಬ್ಡಿನಮ್" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "ರೋಡಿಯಮ್" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "ಬೆಳ್ಳಿ" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "ಕ್ಯಾಡ್ಮಿಯಮ್" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "ಇಂಡಿಯಮ್" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "ತವರ" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "ಆಂಟಿಮನಿ" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "ಅಯೋಡಿನ್" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "ಝೆನಾನ್" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "ಸೀಸಿಯಮ್" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "ಬೇರಿಯಮ್" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "ಇರಿಡಿಯಮ್" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "ಪ್ಲಾಟಿನಮ್" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "ಬಂಗಾರ" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "ಪಾದರಸ" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "ಸೀಸಾ" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "ಬಿಸ್ಮತ್" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "ಪೊಲೋನಿಯಂ" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "ರೆಡಾನ್" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "ರೇಡಿಯಮ್" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "ಥೋರಿಯಮ್" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "ಯುರೇನಿಯಮ್" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "ನೆಪ್ಚೂನಿಯಮ್" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "ಪ್ಲುಟೋನಿಯಮ್" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "ಕ್ಯುರಿಯಂ" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "ಶೀರ್ಷಿಕೆ" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "ಕಾರ್ಟೂನ್" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "ಒತ್ತಾಯಪೂರ್ವಕ" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "ಗುರುತುಪಟ್ಟಿ" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "ತಲೆಬರಹವಿಲ್ಲದ" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "ಕಡತ(&F)" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "ನನ್ನಿಚ್ಛೆಯ ಬಣ್ಣ:" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "ರಿಬ್ಬನ್" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "ಕಾರ್ಟೂನ್" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "ಕಾರ್ಟೂನ್" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "ವಿಸ್ತರಣೆಗಳು" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 #, fuzzy msgid "&Import" msgstr "ಆಮದು" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "ಅವೊಗಡ್ರೊ" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "ಹೈಡ್ರೋಜನ್" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "ಅವೊಗಡ್ರೊ" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, fuzzy, qt-format msgid "Group %1" msgstr "ಗುಂಪಿನ ಹೆಸರು" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "ಫಾರ್ಮ್" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) #, fuzzy msgid "&Import..." msgstr "ಆಮದು" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " (" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "ಗುಂಪಿನ ಹೆಸರು" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "ಗುಂಪಿನ ಹೆಸರು" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,ಸುಧೀಂದ್ರ,ಸುಭಾಸ್ ಭಟ್(Subhas Bhat), ,Launchpad " "Contributions:,Avogadro Team,ಸುಧೀಂದ್ರ,ಸುಭಾಸ್ ಭಟ್(Subhas Bhat), ,Launchpad " "Contributions:,Avogadro Team,ಸುಧೀಂದ್ರ,ಸುಭಾಸ್ ಭಟ್(Subhas Bhat), ,Launchpad " "Contributions:,Avogadro Team,ಸುಧೀಂದ್ರ,ಸುಭಾಸ್ ಭಟ್(Subhas Bhat), ,Launchpad " "Contributions:,Avogadro Team,ಸುಧೀಂದ್ರ,ಸುಭಾಸ್ ಭಟ್(Subhas Bhat), ,Launchpad " "Contributions:,Avogadro Team,ಸುಧೀಂದ್ರ,ಸುಭಾಸ್ ಭಟ್(Subhas Bhat), ,Launchpad " "Contributions:,Avogadro Team,ಸುಧೀಂದ್ರ,ಸುಭಾಸ್ ಭಟ್(Subhas Bhat), ,Launchpad " "Contributions:,Avogadro Team,ಸುಧೀಂದ್ರ,ಸುಭಾಸ್ ಭಟ್(Subhas Bhat), ,Launchpad " "Contributions:,Avogadro Team,ಸುಧೀಂದ್ರ,ಸುಭಾಸ್ ಭಟ್(Subhas Bhat), ,Launchpad " "Contributions:,Avogadro Team,ಸುಧೀಂದ್ರ,ಸುಭಾಸ್ ಭಟ್(Subhas Bhat)" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,,,avogadro-devel@lists.sourceforge.net,,,,,avogadro-devel@lists." "sourceforge.net,,,,,avogadro-devel@lists.sourceforge.net,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,avogadro-devel@lists.sourceforge.net,,,,," "avogadro-devel@lists.sourceforge.net,,,,,avogadro-devel@lists.sourceforge." "net,,,,,avogadro-devel@lists.sourceforge.net,,,,,avogadro-devel@lists." "sourceforge.net,," #, fuzzy #~ msgid "Partial Charge" #~ msgstr "ಫಾರ್ಮ್" #, fuzzy #~ msgid "Filename" #~ msgstr "ಕಡತ(&F)" #~ msgid "Cancel" #~ msgstr "ರದ್ದುಮಾಡು" #, fuzzy #~ msgid "No" #~ msgstr "ನಿಯಾನ್" #, fuzzy #~ msgid "Import" #~ msgstr "ಆಮದು" #~ msgid "Axes" #~ msgstr "ಅಕ್ಷರೇಖೆಗಳು" #~ msgid "Polygon" #~ msgstr "ಬಹುಭುಜಾಕೃತಿ" #~ msgid "Ring" #~ msgstr "ರಿಂಗ್" #~ msgid "Delete" #~ msgstr "ಅಳಿಸು" #~ msgid ")" #~ msgstr ")" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "ಕಡಿಮೆ" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "ಮಧ್ಯಮ" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "ಹೆಚ್ಚು" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "ಇನ್ನೂ ಹೆಚ್ಚಿನ" avogadrolibs-1.100.0/i18n/ko.po000066400000000000000000011660251474375334400161060ustar00rootroot00000000000000# Korean translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Hoseok Seo , 2022, 2023. # simmon , 2023, 2024. # LibreTranslate , 2024. # Weblate Translation Memory , 2024. # Eisuke Kawashima , 2024. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2024-11-24 19:35+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Korean \n" "Language: ko\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=1; plural=0;\n" "X-Generator: Weblate 5.9-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:02+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "일괄 작업 #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "지정된 메시지가 없습니다." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "script --print-options 출력은 최상위 수준에서 JSON 객체여야 합니다. 접수: \n" "%1" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "문자열이 아닌 경고가 반환되었습니다." #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "'경고' 멤버는 배열이 아닙니다." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "참조 파일 '%1'이(가) 없습니다." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "%1 파일 채우는 중 오류: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "'%1' 파일의 형식이 잘못되었습니다. 문자열 '내용' 또는 '파일경로' 멤버가 누락" "되었습니다." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "형식이 잘못된 파일 항목: 파일 이름/내용이 없거나 문자열이 아님: \n" "%1" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "인덱스 %1의 잘못된 파일 항목: 객체가 아닙니다." #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "'파일' 멤버가 배열이 아닙니다." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "'파일' 멤버가 없습니다." #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "'주요파일' 멤버가 '파일'의 항목을 참조하지 않습니다." #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "'주요파일' 멤버는 문자열이어야 합니다." #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "응답은 최상위 JSON 객체여야 합니다." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "스크립트 출력: \n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "오프셋 %L1에서 구문분석 오류: '%2' \n" "원시 JSON: \n" " \n" "%3" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "분자 표현을 문자열로 저장하는 중 오류 발생: 인식할 수 없는 파일 형식: %1" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "분자 표현을 문자열에 저장하는 동안 오류 발생: %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "cjson 객체 생성 중 오류 발생: 오프셋 %1에서 구문분석 오류: %2 \n" "원시 JSON: \n" " \n" "%3" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "오류 생성기 cjson 객체: 구문 분석된 JSON은 객체가 아님: \n" "%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "입력 생성기 (오류)" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "%1 입력 생성기" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "계속" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "닫기" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "알 수 없음" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "다음 파일이 수정되었습니다: \n" " \n" "%1 \n" " \n" "새로운 기하학 또는 작업 옵션을 반영하도록 변경 사항을 덮어쓰겠습니까?" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "수정된 입력 파일을 덮어쓰겠습니까?" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "입력 생성 중 발생한 문제:" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "저장할 입력 파일이 없습니다!" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "몰큐에 연결할 수 없음" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "몰큐 서버에 연결할 수 없습니다. 실행 중인지 확인하고 다시 시도하세요." #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "%1 계산 제출" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "작업 실패" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "작업이 성공적으로 완료되지 않았습니다." #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "스크립트 경고 반환:\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "경고 숨기기(&W)" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "경고 표시(&W)" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "오류 발생:" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "출력 파일이름 선택" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "내부 오류: 파일이름 '%1'에 대한 텍스트 위젯을 찾을 수 없음" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "출력 오류" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "%1 파일에 쓰지 못했습니다." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "출력 디렉토리 선택" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: 디렉토리가 존재하지 않습니다!" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: 디렉토리를 읽을 수 없습니다!" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: 파일을 덮어씁니다." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: 파일에 쓸 수 없습니다." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "알 수 없는 오류로 인해 입력 파일을 쓸 수 없습니다." #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "입력 파일을 쓸 수 없습니다: \n" " \n" "%1" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "입력 파일을 쓸 수 없습니다: \n" " \n" "%1 \n" " \n" "경고: \n" " \n" "%2" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "경고: \n" " \n" "%1 \n" " \n" "계속하겠습니까?" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "입력 파일 쓰기" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "구성 작업" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "몰큐에 작업 제출 중…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "작업 제출 시간초과" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "아보가드로가 몰큐의 응답을 기다리는 시간이 초과되었습니다." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "작업 %1 \"%2\"이(가) 완료되기를 기다리는 중…" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "대기 중지" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "완료된 작업 정보를 가져오는 중…" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "작업 검색 시간초과" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "아보가드로가 몰큐에서 완료된 작업 세부 정보를 기다리는 시간이 초과되었습니다." #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "작업 제출 중 오류" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "작업이 몰큐에서 거부되었습니다: %1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "선택한 프로그램이 없습니다." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "\"대기열 및 프로그램\" 목록에서 대상 프로그램을 선택하세요." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "클라이언트가 몰큐에 작업을 제출하지 못했습니다." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "내부 오류입니다." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "프로그램 선택을 해결할 수 없습니다. 이것은 버그입니다." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "BackgroundFileFormat에 분자가 설정되지 않았습니다!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "BackgroundFileFormat에 Io::FileFormat이 설정되지 않았습니다!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "BackgroundFileFormat에 설정된 파일 이름이 없습니다!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "수평 분할" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "수직 분할" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "수소" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "헬륨" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "리튬" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "베릴륨" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "붕소" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "탄소" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "질소" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "산소" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "불소(플루오르)" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "네온" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "나트륨" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "마그네슘" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "알루미늄" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "규소" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "인" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "황" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "염소" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "아르곤" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "칼륨" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "칼슘" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "스칸듐" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "티타늄" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "바나듐" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "크롬" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "망간" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "철" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "코발트" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "니켈" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "구리" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "아연" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "갈륨" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "게르마늄" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "비소" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "셀레늄" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "브롬" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "크립톤" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "루비듐" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "스트론튬" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "이트륨" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "지르코늄" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "니오브" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "몰리브덴" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "테크네튬" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "루테늄" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "로듐" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "팔라듐" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "은" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "카드뮴" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "인듐" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "주석" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "안티몬" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "텔루르" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "요오드" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "크세논" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "세슘" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "바륨" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "란탄" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "세륨" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "프라세오디뮴" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "네오디뮴" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "프로메튬" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "사마륨" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "유로퓸" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "가돌리늄" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "테르븀" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "디스프로슘" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "홀뮴" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "에르븀" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "툴륨" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "이테르븀" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "루테튬" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "하프늄" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "탄탈" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "텅스텐" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "레늄" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "오스뮴" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "이리듐" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "백금" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "금" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "수은" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "탈륨" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "납" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "비스무트" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "폴로늄" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "아스타틴" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "라돈" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "프란슘" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "라듐" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "악티늄" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "토륨" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "프로탁티늄" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "우라늄" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "넵투늄" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "플루토늄" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "아메리슘" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "퀴륨" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "버클륨" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "칼리포르늄" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "아인슈타이늄" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "페르뮴" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "멘델레예븀" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "노벨륨" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "로렌슘" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "러더퍼듐" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "더브늄" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "시보귬" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "보륨" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "하슘" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "마이트너륨" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "다름슈타튬" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "뢴트게늄" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "코페르니슘" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "니호늄" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "플레로븀" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "모스코븀" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "리버모륨" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "테네신" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "오가네손" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "찾아보기" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "파일 선택:" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "실행 파일 선택:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "선택한 파일에 적합한 파일 리더를 찾을 수 없습니다." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "파일 확장자가 누락되어 형식을 결정할 수 없습니다. 추가하겠습니까?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "선택한 형식에 적합한 파일 작성기를 찾을 수 없습니다." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "핸들러" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "핸들" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "리더" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "읽기" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "라이터" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "쓰기" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" "이 형식을 %2 할 수 있는 여러 %1을(를) 찾았습니다. 어떤 것을 사용해야 합니까?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "모든 파일" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "지원되는 모든 형식" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "분자 표현을 읽는 중 오류 발생: 인식할 수 없는 파일 형식: %1" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "%1 메시지" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "분자 표현을 문자열에 쓰는 중 오류 발생: 인식할 수 없는 파일 형식: %1" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "분자 표현을 문자열에 쓰는 중 오류: %1" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "'userOptions'가 없습니다." #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "옵션 '%1'은(는) 객체를 참조하지 않습니다." #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type'은 옵션 '%1'에 대한 문자열이 아닙니다." #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "옵션 '%1'을(를) 찾을 수 없습니다." #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "탭 %1" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "제목" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "파일이름 기준" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "프로세서 코어" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "계산 유형" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "이론" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "기초" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "전하" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "다중도" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "오류: 값은 키 '%1'에 대한 객체여야 합니다." #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "옵션 '%2'에 대해 인식할 수 없는 옵션 유형 '%1'입니다." #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" "옵션 '%1'의 기본값을 설정하는 동안 오류가 발생했습니다. 잘못된 위젯 유형입니" "다." #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "옵션 '%1'의 기본값을 설정하는 동안 오류가 발생했습니다. 잘못된 기본값:" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "옵션 '%1'의 기본값을 설정하는 동안 오류가 발생했습니다. 값에서 유효한 콤보 항" "목 인덱스를 찾을 수 없습니다:" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "옵션 '%1'에 대한 collectOptions 처리되지 않은 위젯입니다." #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "[분자 없음]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "레이어 %1" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "공과 막대 모형" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "만화" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "내용물 닫기" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "결정체 격자" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "쌍극자 모멘트" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "힘" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "레이블" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "감초" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "메쉬" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "비공유" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "대칭 원소" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "판 데르 발스" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "와이어프레임" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "제목 없음" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "새로운 보기 만들기" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "주기율표" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "스크립트 '%1 %2' 실행 중 오류: 시작(%3) 대기 시간이 초과되었습니다." #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "스크립트 '%1 %2' 실행 중 오류: 표준 입력(len=%3, %4바이트 쓰기, QProcess 오" "류: %5)에 쓰지 못했습니다." #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "스크립트 '%1 %2' 실행 오류: 완료 (%3) 대기 시간이 초과되었습니다." #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "스크립트 '%1 %2' 실행 중 오류: 비정상적인 종료 상태 %3(%4: %5) \n" " \n" "출력: \n" "%6" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "경고 '%1'" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "스크립트를 시작하지 못했습니다." #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "스크립트가 충돌했습니다." #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "스크립트 시간이 초과되었습니다." #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "읽기 오류입니다." #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "쓰기 오류입니다." #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "알 수 없는 오류입니다." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "레이어 수정" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "레이어 제거" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "레이어 정보 제거" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "레이어 추가" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "레이어 정보 추가" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "레이어 변경" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "원자 추가" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "원자 제거하기" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "원자 지우기" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "수소 추가" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "원소 변경" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "원소 바꾸기" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "원자 혼성화 변경" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "원자 형식 전하 변경" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "원자 색상 변경" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "원자 레이어 변경" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "결합 추가" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "결합 제거됨" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "결합 지우기" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "결합 차수 설정" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "결합 차수 변경" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "결합 업데이트" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "결합 업데이트" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "단위 격자 제거" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "단위 격자 편집" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "원자를 격자로 감싸기" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "격자 부피 스케일" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "슈퍼 격자 빌드" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "니글리 감소" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "표준 방향으로 회전" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "기본으로 축소" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "격자 관습화" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "격자 대칭화" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "단위 격자 채우기" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "격자를 비대칭 단위로 축소" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "원자 위치 변경" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "원자 위치 변경" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "원자 레이블 변경" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "선택 변경" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "분자 수정" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "설정" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "스크립트%1을(를)불러올수없음" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "경로 %2에서 %1 스크립트를 확인하는 중" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3DMol HTML 블록입니다." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "파일(&F)" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "내보내기(&E)" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "3DMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "빌드(&B)" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "원소:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "정렬" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" "Align 분자\n" "\n" "왼쪽 마우스: 최대 2개의 원자를 선택합니다.\n" "첫번째 원자는 원점의 중심에 있습니다.\n" "두 번째 원자는 선택한 축으로 정렬됩니다.\n" "마우스 오른쪽: 정렬 재설정.\n" "Double-Click: 원자를 원점 중심에 나두기." #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "축:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "원점에 정렬" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "축에 정렬" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "원점에 원자를 중심에 두기." #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "지정된 축에 원자를 정렬하는 분자를 회전." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "정렬 도구" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Cartesian 축에 맞추어 분자 정렬" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "APBS 실행…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "WFN 파일 열기…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "입력(&I)" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "APBS(&A)" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "출력 파일 열기" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX 파일 (*.dx)" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "IO 오류" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "구조 파일 (%1)을(를) 읽는 동안 오류가 발생했습니다." #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "OpenDX 오류" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "OpenDX 파일을 읽는 동안 오류 발생: %1" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "OpenDX 파일 읽기 오류: 정육면체를 찾을 수 없음" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "APBS 유틸리티와 상호 작용합니다." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "PDB 파일 열기" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB 파일 (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "PQR 파일 열기" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR 파일 (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "오류" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "APBS 실행 중 오류: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "PDB 파일을 지정하세요" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "APBS 입력 파일 저장" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "APBS 입력 (*.in)" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "성공" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "입력 파일이 '%1'에 기록됨" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "사용자 정의 색상별…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "원소별" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "사슬별" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "부분 전하로…" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "이차 구조별" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "아미노산별" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "균형잡힌 스키마별" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "파룰라" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "열" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "뜨거운" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "회색" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "마그마" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "불" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "플라즈마" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "비리디스" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "시비디스" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "스펙트럼" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "냉온" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "균형" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "파란-어두운 빨강" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "터보" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "원자와 잔류물에 색상 구성표를 적용합니다." #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "보기(&V)" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "원자 색상" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "잔류물 색상" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "색상지도 선택" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "색상지도:" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "적용색상" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "원자 스케일" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "결합 스케일" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "불투명도" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "여러 결합 표시" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "수소 표시" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "원자를 구체로, 결합을 실린더로 렌더링합니다." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "결합 중심 조작" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "%L1°" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "%L1 Å" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "결합 중심 조작 도구입니다." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "결합 길이와 각도를 변경하여 분자 기하학을 편집하는 데 사용되는 도구입니다." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "결합 원자" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "결합 차수 감지" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "결합 제거" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "결합 구성…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "선택된 원자 결합" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "결합" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "모든 또는 선택한 원자에서 결합을 제거합니다." #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "모든 또는 선택한 원자 사이의 결합을 생성합니다." #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "결합 순서를 이해합니다." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "결합" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "결합 작업을 수행합니다." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "중추" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "추척" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "튜브" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "리본" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "단순한 만화" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "만화" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "밧줄" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "생체 분자 리본 / 만화 표시합니다." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "중심 추가" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "질량 중심 추가" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "수직 추가" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "중심" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "중심과 질량 중앙을 추가합니다." #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "최대 거리:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "선의 폭:" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "원자 사이의 밀접한 접촉을 렌더링합니다." #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "연락처" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "염다리" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "반발" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "색상 불투명도 지도 편집…" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "확장(&E)" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "색상불투명도지도" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "주로 부피 렌더링을 위해, 색상 불투명도 지도를 편집합니다." #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "스크립트" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "출력 파일 '%1'을(를) 읽는 동안 오류 발생: \n" "%2" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "%1 처리 중" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "파이썬 해석기에 대한 경로 설정:" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "외부 스크립트를 실행할 파이썬 해석기 인터프리터를 선택합니다. \n" "변경 사항을 적용하려면 아보가드로를 다시 시작해야 합니다." #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "명령어 스크립트" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "외부 스크립트 명령어 실행" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "파이썬 설정…" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "파이썬 설치" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "파이썬은 많은 Avogadro 기능에 사용됩니다. 파이썬을 내려받을까요?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "파이썬구성" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "파이썬 환경을 구성합니다." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "기타…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "원자 좌표 편집기(&C)…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "좌표 편집기" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "원자 좌표의 텍스트 편집입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "변경 사항을 덮어쓰겠습니까?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "텍스트 문서가 수정되었습니다. 변경 사항을 취소하고 현재 분자로 되돌리겠습니" "까?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "선 항목이 너무 적습니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "잘못된 원소 이름입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "원소 이름입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "잘못된 원소 기호입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "원소 기호입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "잘못된 원자 명칭." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "원자 지수가 잘못되었습니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "원자 지수입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "잘못된 원자 번호입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "원자 번호입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "잘못된 좌표입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X 좌표입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y 좌표입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z 좌표입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' 격자 좌표입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' 격자 좌표입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' 격자 좌표입니다." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "기하학 적용 오류" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "기하학 사양을 구문 분석할 수 없습니다. 강조 표시된 오류를 수정하고 다시 시도" "하세요. \n" " \n" "(힌트: 오류에 대한 설명을 보려면 빨간색 텍스트 위에 마우스를 가져가세요.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "원자 좌표 편집" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "커스텀" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ 형식 (기호)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ 형식 (이름)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ 형식(원자 번호)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "격자 좌표 (기호)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "격자 좌표 (이름)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "격자좌표 (원자 번호)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "GAMESS 형식 (기호)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "GAMESS 형식 (이름)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "터보몰 형식" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "복사" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "국제 화학 식별자" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "잘라내기" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "지우기" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "붙여넣기(&P)" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "편집(&E)" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "다른 이름으로 복사" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "분자 클리핑 오류" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "클립보드 데이터를 생성하는 동안 오류가 발생했습니다." #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "출력 형식: %1 \n" "%2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "리더 오류: \n" "%1" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "분자 붙여넣기 오류" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "분자를 붙여넣을 수 없음: 클립보드가 비어 있습니다!" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "클립보드 데이터를 읽는 동안 오류가 발생했습니다." #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "감지된 형식: %1 \n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "복사 및 붙여 넣기" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "클립보드와 상호 작용합니다." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "CP2K(&C)…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2K 입력" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "CP2K에 대한 입력을 생성합니다." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "에너지" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "에너지와 힘" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "분자 동력학" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "기하학 최적화" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "전자 구조 방법 (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "분자 역학" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "하이브리드 양자 클래식 (아직 지원되지 않음)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "없음" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "원자" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "코어" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "밀도" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "HISTORY_RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "무작위" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "재시작" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "희박" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "브로이덴" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "켤레기울기" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "최급강하" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "입력 파일이 수정되었습니다. 새로운 기하학 또는 작업 옵션을 반영하도록 변경 사" "항을 덮어쓰겠습니까?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "수정된 입력 파일을 덮어쓰겠습니까?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "CP2K 입력 파일 저장" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "CP2K 계산 제출" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "클립보드에서 결정체 가져오기…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "단위 격자 전환" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "단위 격자 수정…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "원자를 단위 격자로 감싸기(&W)" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "표준 방향으로 회전(&O)" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "격자 부피 스케일(&V)…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "슈퍼격자 빌드(&S)…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "셀 감소(니글리&N)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "결정체(&C)" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "단위 격자 제거(&U)" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "단위 격자 추가(&U)" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "클립보드에서 결정체 가져오기" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "원자를 단위 셀로 감싸기 ." #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "단위 셀을 표준 방향으로 회전." #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "니글리 감소 결정체" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "단위 격자는 이미 축소되었습니다." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "결정체" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "결정체 전용 편집/분석을 위한 도구입니다." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "색상 축:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "선 색상:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "단위 격자 경계를 렌더링합니다." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "텍스트를 구문 분석할 수 없음" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "제공된 형식으로 데이터를 읽지 못했습니다." #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "단위 격자가 없습니다." #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "사용자 정의 원소 재할당(&C)…" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "현재 분자에서 사용자 정의 원소 유형을 조작합니다." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "사용자 정의 원소" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "그리기" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "원자 그리기" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "결합 유형 변경" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "결합 삭제" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "거리:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "%1 %L2" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "편집기 도구" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "자동" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "단일" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "이중" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "삼중" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "가져오기(&I)" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "PDB 가져오기" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "PDB 분자를 읽을 수 없습니다: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB 코드" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "다운로드할 화학 구조입니다." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "잘못된 PDB 코드" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "PDB 코드는 정확히 4 문자 길이여야 합니다." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "PDB 코드의 첫 번째 문자는 1-9 이어야 합니다." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "%1에 대한 쿼리" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "네트워크 내려받기 실패" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "네트워크 시간 초과 또는 다른 오류입니다." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "지정된 분자를 찾을 수 없습니다: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "PDB에서 가져오기" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "단백질 데이터 뱅크서 PDB 모델 다운로드" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "초점 선택" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "초점 제거" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "초점" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "특정 기능에 초점을 맞춥니다." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "분자의 원자에 대한 역장 시각화를 렌더링합니다." #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "기하학 최적화" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "힘" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "구성…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "선택된 원자 멈춤" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "선택된 원자 멈춤 해제" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "&계산" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "아보가드로" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "최적화를 위해 제공되는 원자 없음" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 에너지 = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 강도 기준 = %L2" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "역장 최적화" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "스크립트를 포함한 역장 최소화" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "자동 감지 (%1)" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "범용 역 장" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "일반화된 호박색 역 장" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "Merck 분자 역 장 94" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "에너지 스크립트에 대한 메타 자료 검색 중 오류: %1" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "에너지 스크립트에 대한 메타 자료 구문 분석 중 오류: %1" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" "에너지 스크립트에 대한 자료 구문 분석 중 오류: %1\n" "결과는 JSON 객체가 아닙니다.\n" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "GAMESS(&G)…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESS 입력" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "GAMESS에 대한 입력을 생성합니다." #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "단일 포인트" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "평형 기하학" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "전이 상태" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "진동수" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "코어 전위" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "기체" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "물" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "단일체" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "이중체" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "삼중체" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "디카티온" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "양이온" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "중성" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "음이온" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "이음이온" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "GAMESS 입력 파일 저장" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "GAMESS 계산 제출" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "수소 조정(&A)" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "수소 추가" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "여분의 수소 제거(&X)" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "모든 수소 제거(&R)" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "현재 분자에서 수소를 추가/제거합니다." #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "수소(&H)" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "수소" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "PQR 검색(&S)…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "PQR에서 가져오기" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "PQR에서 분자를 다운로드합니다." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "삽입(&I)" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "DNA/RNA 삽입…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "우라실" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "티민" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "분자 삽입…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "3D 분자 생성 중…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "삽입DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "대화상자를 통해 DNA/RNA 단편을 삽입합니다." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "분자…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "결정체…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "파일 (%1)을(를) 읽는 동안 오류가 발생했습니다." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "결정체 가져오기" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "조각 삽입" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "조각삽입" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "더 큰 분자를 만들기 위해 분자 조각을 삽입합니다." #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "색상:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "중심으로부터의 거리:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "없음" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "색인" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "고유 ID" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "원소" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "원소 번호" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "성분 & ID" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "원자 레이블:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "이름" #: qtplugins/label/label.cpp:236 msgid " & " msgstr " & " #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "잔류물 레이블:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "볼 및 스틱 스타일에 레이블을 표시합니다." #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "레이블 편집" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "라벨 생성" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "레이블 편집기 도구" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "LAMMPS(&L)…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPS 입력" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "LAMMPS에 대한 입력을 생성합니다." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "미리보기 텍스트를 업데이트하고 Lamps 입력 데크 미리보기 창에서 변경한 사항을 " "모두 잃게 하겠습니까?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "투명도:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "감초 / 스틱으로 원자를 렌더링합니다." #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "국제 화학 식별자…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "설명 구문을 찾을 수 없습니다!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "선 형식 리더를 찾을 수 없습니다!" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "요청한 형식 리더를 불러올 수 없습니다." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "선형식입력" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "입력 대화상자를 통해 단일 선 분자 설명문구를 불러옵니다." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "조작" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "조작 도구" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "측정" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "이면각:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "각도:" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "각도:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "측정 도구" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "다각형 메쉬를 렌더링합니다." #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(보류 중)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "알 수 없는 분자" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "분자(&M)…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "분자의 일반적인 특성을 봅니다." #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "분석(&A)" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "속성(&P)" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "분자 속성" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "분자 정보" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "CSV 내보내기" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV 파일 (*.csv);;모든 파일 (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "쓰기 위한 파일을 열 수 없습니다." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "파일에 오류 쓰기." #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "내보내기…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "탐색" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "X, y, 또는 z 축을 따라 장면 회전." #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "장면 확대/축소." #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "장면 번역." #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "스크롤 시 확대/축소의 반대 방향" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" "기본값:\t 아래로 스크롤하여 축소, 위로 스크롤하여 확대 \n" "역방향:\t 위로 스크롤하여 축소, 아래로 스크롤하여 확대" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "탐색 도구" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "화학명" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "네트워크 데이터베이스" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "온라인 데이터베이스, 쿼리 구조 등과 상호 작용" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "각도 허용 오차:" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "몇 가지 비공유 상호 작용을 렌더링합니다." #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "칼코겐" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "역장 구성…" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "이형태체 검색…" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "결합 감지" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "pH용 수소 추가…" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "수소 제거" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1를 찾을 수 없습니다! 오픈 바벨 플러그인 작업 비활성." #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "바벨 열기(&O)" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "바벨 파일 열기 형식을 추가할 준비가 되지 않았습니다." #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "바벨 열기에서 분자 불러오는 중…" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "내부 오류가 발생했습니다: OpenBabel::readMolecule이 호출되었지만 구문 분석에 " "사용할 수 있는 obabel 출력이 없습니다!" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "바벨 (%1) 열기를 실행하는 동안 오류가 발생했습니다." #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "openbabel 출력을 구문 분석하는 동안 오류가 발생했습니다." #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "지원되는 forcefields 목록을 검색하는 동안 오류가 발생했습니다. ('%1' 사용)." #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "분자가 잘못되었습니다. 기하학을 최적화할 수 없습니다." #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "바벨 열기로 기하학을 최적화할 수 없습니다." #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "기하학 최적화 (바벨 열기)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "생성 중…" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "현재 분자의 바벨 열기 표현을 생성하는 동안 내부 오류가 발생했습니다." #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "%1 시작 중…" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "%2 의 %1 단계 \n" "현재 에너지: %3 \n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "분자 업데이트 중…" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "바벨 열기 출력을 해석하는 동안 오류가 발생했습니다." #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "obabel 출력의 원자 수 (%1)가 원래 분자의 원자 수 (%2)와 일치하지 않습니다." #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "분자가 잘못되었습니다. 이형태체를 생성 할 수 없습니다." #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "오픈 바벨과 함께 이형태체를 생성 할 수 없습니다." #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "이형태체 생성 중 (오픈 바벨)" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "이형태체 생성" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "바벨 열기로 파일을 열 수 없습니다." #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "잘못된 분자: 결합을 인식할 수 없습니다." #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "결합 인식 (바벨 열기)" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "XYZ 표현 생성 중…" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "XYZ 문자열을 생성하는 동안 오류가 발생했습니다." #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "%1을(를) 사용하여 XYZ를 바벨 열기로 변환 중…" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "바벨 열기에서 분자 업데이트 중…" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "바벨 열기로 수소를 추가할 수 없습니다." #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "수소 추가 (바벨 열기)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "바벨 열기 입력 생성 중…" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "바벨 열기 입력을 생성하는 동안 오류가 발생했습니다." #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "%1 실행 중…" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "pH에 대한 수소 추가" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "obabel 입력 생성 중…" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "바벨 열기로 수소를 제거할 수 없습니다." #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "수소 제거 (바벨 열기)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "바벨 열기를 생성하는 동안 오류가 발생했습니다." #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "obabel 출력을 읽는 중…" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "이미 바벨 열기를 실행 중입니다. 다른 작업이 완료될 때까지 기다렸다가 다시 시" "도하세요." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "바벨열기" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "바벨열기 유틸리티와 상호 작용합니다." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "OpenMM 스크립트(&O)…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMM 입력" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "OpenMM에 대한 입력을 생성합니다." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "OpenMM 입력 데크 미리보기 창에서 변경한 내용을 모두 잃고 미리보기 텍스트를 업" "데이트하겠습니까?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "입력.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "입력.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "위" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "참" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "참조 축" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "참조 축 오버레이" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "디스플레이 모서리에 참조 축을 렌더링합니다." #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "플레이어" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "재생" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "중지" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "프레임율:" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "프레임:" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " %0 의" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "역동적인 결합입니까?" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "동영상 녹화…" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "동영상 (*.mp4)" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "비트맵 그래픽 내보내기" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "동영상 (*.mp4);;동영상 (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "GIF FPS 지원 경고" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "GIF 파일 형식은 100 FPS 이상의 프레임 속도를 지원하지 않습니다." #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "동영상 (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "오류: 비디오에 프레임을 추가할 수 없습니다." #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "%1 파일을 저장할 수 없습니다." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "플레이어 도구" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "궤적 재생" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "플롯 쌍 분포 함수…" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "PDF 패턴 생성 실패" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "오류 메시지: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "플롯Pdf" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "쌍 분포 함수 곡선을 생성하고 플로팅합니다." #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "RMSD 곡선 플롯…" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "플롯Rmsd" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "RMSD 곡선을 생성하고 플로팅합니다." #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "이론적인 XRD 패턴 플로팅…" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "XRD 패턴 생성 실패" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "분자를 CIF 형식으로 변환하지 못했습니다." #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "genXrdPattern에서 읽은 데이터가 손상된 것 같습니다!" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "오류: genXrdPattern 실행 파일을 찾을 수 없습니다!" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "오류: " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "플롯Xrd" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "ObjCryst++를 사용하여 이론적 XRD 패턴을 생성하고 플로팅합니다." #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "업데이트" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "버전" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "설명" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "이 플러그인은 설치하는 데 있어 특정 꾸러미가 필요합니다.\n" "이를 설치하시겠습니까?" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "항상" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "절대" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "%1을(를) %2(으)로 다운로드 중\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "%1을(를) %2(으)로 압축해제 중\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "%1개 파일 완료\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "압축해제 성공\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "압축해제 중 오류: %1" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "플러그인 다운로드…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "플러그인 다운로드" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "깃허브 리포지토리에서 플러그인을 다운로드합니다." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY 렌더…" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "파일 저장" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;텍스트 파일 (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "PLY를 사용하여 장면을 렌더링합니다." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray 렌더…" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;텍스트 파일 (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "POV-Ray를 사용하여 장면을 렌더링합니다." #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "원자가" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "형식 전하" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "색상" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "원자" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "형식" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "원자 시작" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "원자 끝" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "결합 차수" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "길이 (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "사슬" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "2차 구조" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "원자 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "꼭지점" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "원자 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "각도 (°)" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "원자 2" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "원자 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "조각 조정" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "π 나선" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "절곡" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "α 나선" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "β 시트" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 나선" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "β 브릿지" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "회전" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "코일" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "원자 속성…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "결합 속성…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "각도 속성…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "비틀림 속성…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "잔류물 속성…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "원자, 결합, 각도 및 비틀림 속성을 표시하고 편집하기 위한 표입니다." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "속성표" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "원자 정보" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "결합 정보" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "각도 속성" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "비틀림 정보" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "이형태체 정보" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "잔류물 속성" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "QTAIM 속성을 사용하여 기본 렌더링" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "분자 그래프…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "고립 전자쌍이 있는 분자 그래프…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "원자 전하…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "WFN 파일 열기" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN 파일 (*.wfn);;모든 파일 (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM 확장" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "양자 입력" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "양자 코드에 대한 입력을 생성합니다." #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "중앙" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "축에 보기 정렬" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "축에 보기 정렬" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "보기 재설정" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "보기 카메라를 조작합니다." #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "스크립트 전하 모델" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "외부 스크립트에서 정전기 모델을 불러옵니다." #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "스크립트 파일 형식" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "외부 스크립트에서 파일 리더/라이터를 불러옵니다." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "모두 선택" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "없음 선택" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "반전 선택" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "원자별 선택…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "원자 색인으로 선택…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "잔류물에 의한 선택…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "중추 원자 선택…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "곁사슬 원자 선택…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "물 선택" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "선택 확대" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "선택 축소" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "선택 항목에서 새로운 레이어 만들기" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "선택 변경" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "선택(&S)" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "원소 선택" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "중추 선택" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "곁사슬 선택" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "색인으로 원자 선택" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "선택할 원자:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "원자 선택" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "잔류물로 원자 선택" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "선택하는 잔류물:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "잔여물 선택" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "선택" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "선택" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "원자 색칠" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "선택 도구" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "새로운 레이어" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "지각 공간 그룹…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "대칭화" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "단위 격자 채우기…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "비대칭 단위로 축소" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "허용 오차 설정…" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "공간 그룹" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "크리스탈 공간 그룹에 기반한 대칭 원자를 채우세요." #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "공간 그룹 인식" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "공간 그룹은 이미 다음으로 설정되어 있습니다: %1.\n" "덮어쓸까요?" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "실패" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "공간 그룹 인식 실패하였습니다. \n" "다른 허용 오차로 다시 시도하겠습니까?" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "원시 감소" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "허용 오차는 현재 다음으로 설정되어 있습니다: %1. \n" "이 허용 오차를 계속하겠습니까?" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "원시 축소에 실패하였습니다. \n" "결정체를 확인하고 다른 허용 오차로 다시 시도하세요." #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "격자를 일반화하지 못했습니다. \n" "결정체를 확인하고 다른 허용 오차로 다시 시도하세요." #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "대칭에 실패했습니다. \n" "결정체를 확인하고 다른 허용 오차로 다시 시도하세요." #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "아보가드로2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "Å에서 허용 오차를 선택하세요:" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "국제적" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "현관" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "헤르만-모갱" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "공간 그룹 선택" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "공간그룹" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "결정체에 대한 공간 그룹 기능입니다." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "스펙트럼 플롯…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "스펙트럼" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "스펙트럼 플롯을 표시합니다." #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "적외선" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "라만" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "전자" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "원편광 이색성" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "상태 밀도" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "배경색상 선택" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "전면 색상 선택" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "계산된 스펙트럼 색상 선택" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "가져온 스펙트럼 색상 선택" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "진동식 스펙트럼" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "파수 (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "전달" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "라만 스펙트럼" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "강도" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "NMR 스펙트럼" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "화학적 이동 (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "전자 스펙트럼" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "에너지 (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "원편광 이색성 스펙트럼" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "밀도" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "오비탈" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "대칭" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "용제 접근 가능" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "용매 제외" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "분자 궤도" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "전자 밀도" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "스핀 밀도" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "파일에서" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "표면 생성…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "반 데르 발스 표면을 렌더링합니다." #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "반 데르 발스 분자 표면을 렌더링합니다." #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "용매에 접근 가능한 분자 표면을 렌더링합니다." #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "용매가 배제된 분자 표면을 렌더링합니다." #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "분자 궤도를 렌더링합니다." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "전자 밀도를 렌더링합니다." #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "회전 밀도를 렌더링합니다." #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "파일과 함께 제공된 큐브를 렌더링합니다." #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "전자 밀도 계산" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "회전 밀도 계산" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "분자 궤도 %L1 계산" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "동영상 AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "동영상 내보내기" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "동영상 MP4 (*.mp4);;동영상 AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "표면" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "표면을 읽고 렌더링합니다." #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "SVG(&S)…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "장면을 SVG 파일로 렌더링합니다." #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "등급" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "대칭…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "대칭 기능을 제공합니다." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "대칭 원소를 렌더링합니다." #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "그룹 %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "템플레이트" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "템플레이트 삽입" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "리간드 삽입" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "템플레이트 도구" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "VdW 구체의 간단한 표시입니다." #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "진동 모드…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "진동 모드 대화상자를 표시합니다." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "진동 모드를 설정합니다." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "진동 진폭을 설정합니다." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "진동 애니메이션을 시작합니다." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "진동 애니메이션을 중지합니다." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "진동" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "진동 방식을 표시합니다." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "VRML 렌더…" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;텍스트 파일 (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "VRML을 사용하여 장면을 렌더링합니다." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "분자를 와이어프레임으로 렌더링합니다." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "밴드 구조 계산…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "야에모프(&Y)" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "밴드 구조를 계산할 수 없음: 단위 격자가 없습니다!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "다음 오류로 야에모프 실행 실패: \n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "야에모프에서 출력된 밴드 구조를 읽지 못했습니다!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "야에모프 출력에서 단 하나의 특수 k 포인트가 발견되었습니다! 2개 이상이 필요합" "니다!" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "밴드 %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "페르미 준위" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "야에모프를 찾을 수 없음" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "오류: %1을(를) 시작하지 못함" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "야에모프 입력" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "야에모프" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "야에모프로 확장된 휘켈 계산을 수행합니다." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "대화상자" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "형식" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "계산 설정" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "플레이스홀더 텍스트…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "재설정" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "디버그 스크립트…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "계산 제출…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "입력 저장…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "대기열 및 프로그램:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "새로 고침" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" "

      이 작업을 위해 예약할 프로세서 코어 수입니다.

      " #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "프로세서 코어:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" "

      작업 완료 시 원격 작업 파일을 삭제합니다. 결과는 여전" "히 로컬 몰큐 작업 캐시에 먼저 복사됩니다.

      " #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "완료되면 원격 파일 삭제:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" "

      이 작업이 기본적으로 몰큐 GUI에 표시되지 않도록 하려면 " "선택합니다.

      " #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "몰큐에서 작업 숨기기:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" "

      작업 상태가 변경되면 시스템 팝업 알림을 표시합니다." #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "진행 알림 표시:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "완료되면 출력 열기:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "원소 이름 바꾸기" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "조각 삽입…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "필터:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "일치하는 파일만 표시하려면 이름 또는 이름의 일부를 입력하세요." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "삽입" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "3DMol HTML 단편 정보" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "클립 보드에 복사(&C)" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "구조 입력 파일" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "PDB에서 입력 생성" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB 파일:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "역장:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "분석" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "PDB2PQR 실행" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "기존 PQR 파일 불러오기" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR 파일:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "APBS 입력 파일" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "입력 파일 저장" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "APBS 실행" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "성공!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "구조 파일 불러오기" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "큐브 파일 불러오기" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "부분 전하" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "전하 모델:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "거리 허용 오차:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "최소 거리:" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "부피 렌더링" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "큐브" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "부피 렌더링 활성화" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "표면 렌더링 활성화" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "등가값" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "“base” conda 환경만 존재합니다.\n" "Avogadro의 새로운 환경을 만들고 싶습니까?\n" "이는 기본 환경의 복사본을 만들 것입니다.\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "환경 이름:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "아보가드로" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "스크립트를 실행하는 데 사용되는 파이썬 버전을 선택합니다.\n" "변경 사항을 적용하려면 Avogadro를 재시작해야 합니다." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "환경:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "좌표 편집기" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "사전 설정:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "거리 단위:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "옹스트롬" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "보어" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "형식:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" "

      형식 사양. 각 문자는 원자당 쓸 값을 나타냅니다:

      # - 원자 색인 (1, 2, ..., " "numAtoms)
      Z - 원자 번호 (예: 탄" "소의 경우 \"6\")
      G - GAMESS-스타" "일 원자 번호 (예: 탄소의 경우 \"6.0\")
      N - 원소 이름 (예: \"탄소\")
      S - 요소 기호 (예: 탄소의 경우 \"C\")
      x - X 위치 좌표
      y - Y 위치 좌표
      z - Z " "위치 좌표
      a - 'a' 격자 좌표 (결" "정체만 해당)
      b - 'b' 격자 좌표 " "(결정체만 해당)
      c - 'c' 격자 좌" "표 (결정체만 해당)
      _ - 정렬에 유" "용한 문자 공백 (\" \")
      0 - 최적" "화 플래그에 유용한 문자 0 (\"0\")
      1 - 최적화 플래그에 유용한 문자 1 (\"1\")

      " #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "도움말…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "붙여넣기" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "되돌림" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "적용" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2K 입력" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "모두 초기화" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "기본값" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "파일 저장…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "기본 설정(&B)" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "제목:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "파일이름 기준:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "작업" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "계산:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "방법:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "기준 설정:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "기능" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Emax 스플라인 회전" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "푸아송 EWALD 유형" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "푸아송 EWALD 알파" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "푸아송 EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "참" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "OUTER EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "바벨 열기 변환을 위한 파일 확장자(기본값 - 아보가드로::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "슈퍼격자 매개변수" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "슈퍼 격자 옵션" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A 반복:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B 반복:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C 반복:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "단위 격자 편집기" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "셀 행렬:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "분수 행렬:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "원자 변환(&T)" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "적용(&A)" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "되돌림(&R)" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "숨기기(&H)" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "단위 격자 부피 스케일" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "새로운 부피(&V):" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "계수 인자(&S):" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "현재 부피:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "텍스트레이블" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "결합 차수:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "기하학 최적화 매개변수" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "수렴 기준" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "에너지 융합:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "단계 제한:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " 단위" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " 단계" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "기울기 수렴:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "최적화 방법" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "역장:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "자동 감지" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS 입력" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "In:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "다중도:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "With:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "전하:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "PQR에서 가져오기…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "검색" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "이름" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "태그" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "동의어" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "공식" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "국제 화학 식별자" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "검색 기준: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "공식:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "다운로드" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "이름:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "핵산 삽입" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "DNA/RNA 빌더" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "핵산:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "아데닌" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "시토신" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "구아닌" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "배열:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "나선 회전당 염기쌍의 수" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "기타" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "턴당 기준:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "가닥:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "단일" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "이중" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPS 입력" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "입력 파일 주석" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "시뮬레이션 중에 사용할 단위 스타일을 선택합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" " \n" " \n" "

      http://lammps.sandia.gov/doc/units.html

      " #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "단위" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "실제" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "금속" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "전자" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "수분 포텐셜" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "데이터 파일에서 사용하는 atom_style을 선택합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" " \n" " \n" "

      http://lammps.sandia.gov/doc/atom_style.html" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "원자 스타일" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "각도" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "원자" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "결합" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "전하" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "쌍극자" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "타원체" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "전체" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "선" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "메소" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "분자" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "구체" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "트라이" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "파속" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "좌표 파일에 사용할 이름을 지정합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "좌표 데이터 파일" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "앙상블" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "온도" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "NVT 앙상블에서 노제-후버 사슬의 수를 선택합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "NH 사슬" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "\"단위\" 사양에 따른 단위 시뮬레이션의 시간 단계입니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "시간 단계" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "시뮬레이션 중에 쓸 XYZ 파일의 파일 이름입니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "XYZ 덤프" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "시스템의 차원 수입니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "차원" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Z 경계 스타일을 변경합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "fm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Y 경계 스타일을 변경합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "X 경계 스타일을 변경합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "X, Y 및 Z 방향의 경계 스타일을 선택합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "경계" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "X, Y 및 Z 방향의 복제 수입니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "복제" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "X 방향을 복제합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Y 방향을 복제합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Z 방향을 복제합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "시뮬레이션을 실행할 총 시간 단계 수입니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "총 단계" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "덤프 간격" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "시뮬레이션을 위한 초기 원자 속도를 설정합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "초기 속도" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "초기 원자 속도의 분포를 선택합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "가우스" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "균일 분포" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "이 온도와 일치하도록 초기 원자 속도를 설정합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "초기 속도에서 시스템 선형 운동량을 제거합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "제로 선형 운동량" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "초기 속도에서 시스템 각운동량을 제거합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "제로 각운동량" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "시뮬레이션 중에 열역학적 출력을 제어합니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "출력" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "출력 간격" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "열역학적 출력 스타일입니다." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "한 선" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "여러 선" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "양식 사용" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "생성…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "설명 문구:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "번역가:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "주위 회전:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "근원" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X 축" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y 축" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z 축" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "이형태체 검색" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "방법" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "이형태체의 수:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "체계적인 회전자 검색" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "임의 회전자 검색" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "가중 회전자 검색" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "유전 알고리즘 검색" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "이형태체별 최적화:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "유전 알고리즘 옵션" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "각 상위 기하학을 위한 자식의 수" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "자식:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "돌연변이 빈도 (lower = 더 빈번한 돌연변이)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "가변성:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "수렴에 도달하기 전의 동일한 세대 수" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "수렴:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "득점 방법:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" "유전 알고리즘에 대한 계산 방법 (RMSD = 기하학 거리, 에너지 = 가장 낮은 에너" "지)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "RMSD" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "최적화 알고리즘:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "선 검색 기술:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "최급강하" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "켤레 기울기" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "간단" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "뉴턴의 법칙" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "비결합 상호작용 제한" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "판 데르 발스 차단 거리:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "쌍 업데이트 주기:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "정전기 차단 거리:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "Å" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "\"에너지\" 수렴:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "OpenMM 스크립트 빌더" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "작업 스크립트:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "스크립트" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "입력 좌표:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "입력.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "입력 위상:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "역장:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "물 모델:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "암시적 용매(OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "플랫폼:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "참조" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "정확성:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "단일" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "혼합" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "이중" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "장치 색인:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "OpenCL 플랫폼 색인:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "비결합 방법:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "차단없음" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "비정기적차단" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "정기적차단" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "에발트" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "에발트 허용 오차:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "제약:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "H결합" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "모두결합" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "H각도" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "제약 허용 오차:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "경수입니까?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "거짓" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "비결합 차단:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr " nm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "무작위 초기 속도:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "생성 온도:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "적분기:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "랑주뱅" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "베를레" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "브라운" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "가변랑주뱅" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "가변베를레" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "시간단계:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr " fs" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "허용 오차 오류:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "충돌 비율:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "/ps" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "온도:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "기압 조절기:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "몬테 카를로" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "기압:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr " atm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "기압 조절기 간격" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "리포터:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "상태데이터" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "보고 간격:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "평형화 단계:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "생산 단계:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "최소화입니까?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "가장 큰 최소화 단계:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "상태데이터 옵션:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "단계 색인" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "시간" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "속도" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "진행" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "잠재 에너지" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "운동 에너지" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "총 에너지" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "부피" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "PDF 플롯 옵션" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "최대 반경:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "단계 (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "이론적 XRD 패턴 옵션" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" "

      베이스에서 피크의 확장 (도)입니다.

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" "

      최대 2세타 값 (도)입니다.

      기본값: 162.00°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" "

      베이스에서 피크의 확장 (도)입니다.

      기본값: " "0.52958°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "포인트 수:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "피크 폭:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "파장:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" "

      옹스트롬 단위의 X선 파장입니다.

      기본값: 1.50560 " "Å

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" "

      생성할 2세타 포인트의 수입니다.

      기본값: 1000" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "최대 2*세타:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "선택 다운로드" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "임계점 반경:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "결합 경로 반경:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "공유" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "일정한 크기" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "색상 적용" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "스펙트럼 시각화" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "척도 인자:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "최소 X-축:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "최대 X-축:" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "오프셋:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "최대 Y-축:" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "최소 Y-축:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "정점 폭:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "정점 임계점:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "모양(&A)" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "보기" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "실험 스펙트럼의 tsv를 가져오고 플롯에 씌우다." #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "가져오기(&I)..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "색상 설정..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "가져온 스펙트럼:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "내보내기(&E)..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "배경:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "계산된 스펙트럼:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "글꼴 크기:" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "선 폭:" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "자료 내보내기" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "닫기(&C)" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&옵션…" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "통제:\n" "두 번 왼쪽 누르기: 기본 축 제한 복원\n" "오른쪽 누르기 + 끌기: 플롯 이동\n" "중간 누르기 + 끌기: 지역으로 확대/축소\n" "스크롤 휠: 커서로 확대/축소" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "데이터 읽기(&L)..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "매우 낮음" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "낮음" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "중간" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "높음" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "매우 높음" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "표면 생성" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "표면:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "알파" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "베타" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "채색:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "정전기 전위" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "해상도:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "등가곡면 값:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "평활화:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "밝게" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "스트론튬" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "계산" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "분자" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "대칭적으로 동등한 원자:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "대칭 잠금" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "운영" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "대칭 원소:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "하위집단" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "하위집단:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "허용 오차:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "단단함" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "보통" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "느슨한" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "매우 느슨한" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "대칭 감지" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "중앙" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "형식 전하:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "0" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "+1" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "+2" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "+3" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "+4" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "+5" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "+6" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "+7" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "조정:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: 팔면체" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: 선형" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: 선형" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: 삼각 평면" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: 사면체" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: 정사각 평면" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: 삼각 쌍뿔" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: 정사각 피라미드" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: 삼각 프리즘" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: 오각 쌍뿔" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: 정사각 엇각기둥" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "리간드" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "유형:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "한 자리" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "두 자리" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "세 자리" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "네 자리" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "여섯 자리" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "촉각" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "클립보드에서" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "리간드:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "그룹" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "그룹:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "아마이드" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "카르복실산염" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "에스테르" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "에틸렌" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "아세틸렌" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "페닐" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "인산염" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "설폰산염" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "진동 모드" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "진폭:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "애니메이션 시작" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "애니메이션 중지" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "야에모프 밴드" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "최소 y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" "

      이 상자를 선택하기 전에 페르미 준위를 알아야 합니다. 상" "태 밀도 계산을 수행하고 데이터를 표시하여 페르미 준위를 발견할 수 있습니다 " "(데이터 맨 위에 있음). 또한, 상태 밀도 계산을 수행하면 여기의 페르미 준위가 " "상태 밀도 계산 중에 감지된 값으로 자동 설정됩니다.

      이 상자가 선택되면 " "오른쪽 회전 상자에 올바른 페르미 준위가 설정되어 있는지 확인하십시오.

      " "기본값: 끔

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "페르미 플롯합니까?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" "

      0이 페르미가 되도록 에너지를 조정하세요. 페르미 준위를 " "플로팅하는 경우에만 사용할 수 있습니다.


      기본값: 끔

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "0 페르미입니까?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "# 특수 k-포인트를 연결하는 k-포인트:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "특수 k-포인트" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "최대 y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "

      페르미 준위

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" "

      다음과 같이 특수 k-포인트를 입력합니다:

      L 0.5 " "0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      즉, <symbol> <" "x> <y> <z> 여기서 x, y, z는 소수 역 공간 좌표입니다. 이 k-" "point를 그래프에 있는 순서대로 연결하는 선이 그려집니다. 격자의 방향은 이러" "한 상호 공간 점의 위치에 영향을 줄 수 있습니다.

      결정체의 공간 그룹이 감" "지되거나 설정되면 특수 k 포인트는 해당 공간 그룹에 대한 기본 격자 높은 대칭 " "포인트로 자동 채워집니다. 몇 개의 공간 그룹은 (a > b 또는 a < b와 같은 " "경우) 격자에 따라 다른 높은 대칭점이 있습니다 - 이는 자동으로 고려됩니다." #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" "

      특수 k-포인트를 연결할 k-포인트의 수를 입력합니다. 이러" "한 k-포인트가 많을수록 그래프가 부드러워지지만 계산 시간이 더 오래 걸릴 수 있" "습니다.

      기본값: 40

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" "

      플롯에서 y 범위를 제한하겠습니까?

      기본값: 끔" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "y 범위를 제한하겠습니까?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" "

      주기적 차원의 수입니다.


      이것이 1로 설" "정되면 재료는 결정체의 A 벡터를 따라 주기적으로만 나타납니다.


      이것이 2로 설정되면 재료는 결정체의 A 및 B 벡터를 따라 주기적으로 됩니" "다.


      이것이 3으로 설정되면 재료는 결정체의 A, B 및 C 벡터를 " "따라 주기적입니다.


      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "차원 수:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "야에모프 입력을 표시하겠습니까?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" "Launchpad Contributions:,Avogadro Team,Bundo,Kim Hanjo,Para, Sang-hyeon Lee," "dlonie, park gong gu, seokhyun an, simmon" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "loniedavid@gmail.com, an6207@gmail.com, simmon@nplob.com" #~ msgid "eV" #~ msgstr "eV" #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "부분 전하" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "결합 중심 조작 도구 \n" #~ " \n" #~ "왼쪽 마우스: \t클릭과 드래그로 보기를 회전합니다. \n" #~ "중간 마우스: \t클릭과 드래그로 확대 또는 축소합니다. \n" #~ "오른쪽 마우스: \t클릭과 드래그로 보기를 이동합니다. \n" #~ "더블 클릭: \t보기를 재설정합니다. \n" #~ " \n" #~ "결합을 마우스 왼쪽 버튼으로 클릭과 드래그로 조작 평면 설정: \n" #~ "결합내 원자 중 하나를 마우스 왼쪽 버튼으로 클릭과 드래그로 각도 변경 \n" #~ "결합내 원자 중 하나를 마우스 오른쪽 버튼으로 클릭과 드래그로 길이 변경" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "그리기 도구 \n" #~ " \n" #~ "왼쪽 마우스: \t클릭 및 드래그로 원자 및 결합 생성 \n" #~ "오른쪽 마우스: \t원자 삭제" #~ msgid "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "원자 레이블 도구 \n" #~ " \n" #~ "왼쪽 마우스: \t사용자 정의 레이블을 추가하려면 원자 클릭" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "측정 도구 \n" #~ " \n" #~ "왼쪽 마우스: \t최대 4개의 원자를 선택합니다. \n" #~ "\t거리는 1-2와 2-3 사이에서 측정 \n" #~ "\t각도는 2를 공통점으로 사용하여 1-3 사이에서 측정 \n" #~ "\t이면체는 1-2-3-4 사이에서 측정 \n" #~ "오른쪽 마우스: \t측정값을 재설정합니다." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "탐색 도구 \n" #~ " \n" #~ "왼쪽 마우스: \t클릭과 드래그로 보기를 회전합니다. \n" #~ "중간 마무스: \t클릭과 드래그로 확대 또는 축소합니다. \n" #~ "오른쪽 마우스: \t클릭과 드래그로 보기를 이동합니다.\n" #~ msgid "Animation Tool" #~ msgstr "애니메이션 도구" #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "선택 도구 \n" #~ " \n" #~ "왼쪽 마우스: \t개별 원자, 잔류물 또는 조각을 선택하려면 클릭 \n" #~ "\t드래그하여 원자 범위 선택 \n" #~ "오른쪽 마우스: \t선택을 취소하려면 분자 외부 클릭 \n" #~ "Ctrl을 사용하여 선택을 전환하고 Shift를 사용하여 선택에 추가합니다. \n" #~ "더블 클릭: \t전체 조각을 선택합니다." #~ msgid "" #~ "Template Tool\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "템플릿 도구\n" #~ "\n" #~ "금속 중심을 포함하여 조각을 넣으세요.\n" #~ "원소와 조정 기하학을 선택하고, 그 다음 눌러 조각을 넣으세요.\n" #~ "\n" #~ "리간드 또는 기능성 그룹을 선택하고 수소 원자를 누르고 이를 부착하세요." #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "판 데르 발스 (AO)" #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "조작 도구 \n" #~ " \n" #~ "왼쪽 마우스: \t클릭과 드래그로 원자 이동 \n" #~ "오른쪽 마무스: \t클릭과 드래그로 선택한 원자 회전합니다.\n" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "주변 폐색이 있는 VdW 구체의 간단한 표시입니다." #~ msgid "Geometry" #~ msgstr "기하학" #~ msgid "Add Unit Cell" #~ msgstr "단위 격자 추가" #~ msgid "By Atomic Index" #~ msgstr "원자 색인별" #~ msgid "By Distance" #~ msgstr "거리별" #~ msgid "Select Water…" #~ msgstr "물 선택…" #~ msgid "&Copy" #~ msgstr "복사(&C)" #~ msgid "Molecule Name:" #~ msgstr "분자 이름:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "분자량 (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "화학 공식:" #~ msgid "Number of Atoms:" #~ msgstr "원자의 수:" #~ msgid "Number of Bonds:" #~ msgstr "결합의 수:" #~ msgid "TODO" #~ msgstr "할 것" #~ msgid "Line Size:" #~ msgstr "선 크기:" #, fuzzy #~| msgid "Optimize Geometry" #~ msgid "Optimize" #~ msgstr "기하학 최적화" #~ msgid "In." #~ msgstr "In." #~ msgid "El." #~ msgstr "El." #~ msgid "El.&No." #~ msgstr "El.&No." #~ msgid ", " #~ msgstr ", " #~ msgid "ABPS Input (*.in)" #~ msgstr "ABPS 입력 (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "입력 생성기 스크립트를 실행하는 데 사용되는 파이썬 해석기를 선택합니다. \n" #~ "변경 사항을 적용하려면 아보가드로를 다시 시작해야 합니다." #~ msgid "Set Python Path…" #~ msgstr "파이썬 경로 설정…" #~ msgid "Fragment…" #~ msgstr "조각…" #~ msgid "Functional Groups" #~ msgstr "기능 그룹" #~ msgid "Help..." #~ msgstr "도움말..." #~ msgid "Submit Calculation..." #~ msgstr "계산 제출..." #~ msgid "Save File..." #~ msgstr "파일 저장..." #~ msgid "Download Plugins..." #~ msgstr "플러그인 다운로드..." #~ msgid "Record Movie..." #~ msgstr "동영상 녹화..." #~ msgid "Other..." #~ msgstr "기타..." #~ msgid "Client server operations." #~ msgstr "클라이언트 서버 작업입니다." #~ msgid "S&erver" #~ msgstr "서버(&E)" #~ msgid "Connection failed" #~ msgstr "연결 실패" #, qt-format #~ msgid "The connection to %2:%3 failed: connection refused." #~ msgstr "%2:%3에 대한 연결 실패: 연결이 거부되었습니다." #~ msgid "Remote service error" #~ msgstr "원격 서비스 오류" #, qt-format #~ msgid "Connection failed with: %1" #~ msgstr "연결 실패: %1" #, qt-format #~ msgid "clientServer/%1:%2/lastOpenDir" #~ msgstr "clientServer/%1:%2/lastOpenDir" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*.%1" #~ msgid "Client server" #~ msgstr "클라이언트 서버" #~ msgid "Connection refused" #~ msgstr "연결 거부" #, qt-format #~ msgid "Connection to %2:%3 succeeded!" #~ msgstr "%2:%3에 연결했습니다!" #~ msgid "Filename" #~ msgstr "파일이름" #~ msgid "Formula" #~ msgstr "공식" #~ msgid "InChIKey" #~ msgstr "국제 화학 식별자키" #~ msgid "&MongoChem" #~ msgstr "몽고켐(&M)" #~ msgid "Mongo Chem Server" #~ msgstr "몽고 켐 서버" #~ msgid "Interface with Mongo Chem Server." #~ msgstr "몽고 켐 서버와의 인터페이스입니다." #~ msgid "YAeHMOP Band Structure" #~ msgstr "야에모프 밴드 구조" #~ msgid "Server settings" #~ msgstr "서버 설정" #~ msgid "&Hostname:" #~ msgstr "호스트이름(&H):" #~ msgid "Port" #~ msgstr "포트" #~ msgid "Test C&onnection..." #~ msgstr "연결 테스트(&O)..." #~ msgid "Look in:" #~ msgstr "살펴보기:" #~ msgid "Navigate Back" #~ msgstr "뒤로 탐색" #~ msgid "Navigate Forward" #~ msgstr "앞으로 탐색" #~ msgid "Navigate Up" #~ msgstr "위로 탐색" #~ msgid "File name:" #~ msgstr "파일 이름:" #~ msgid "OK" #~ msgstr "OK" #~ msgid "Files of type:" #~ msgstr "파일 유형:" #~ msgid "Cancel" #~ msgstr "취소" #~ msgid "MongoChem Config" #~ msgstr "몽고켐 구성" #~ msgid "http://localhost:8080/api/v1" #~ msgstr "http://localhost:8080/api/v1" #~ msgid "API Key:" #~ msgstr "API 키:" #~ msgid "Base URL:" #~ msgstr "기본 URL:" #~ msgid "Config" #~ msgstr "구성" #~ msgid "Upload" #~ msgstr "업로드" #~ msgid "Docker" #~ msgstr "도커" #~ msgid "Singularity" #~ msgstr "특이성" #~ msgid "Container:" #~ msgstr "컨테이너:" #~ msgid "Image:" #~ msgstr "이미지:" #~ msgid "openchemistry/psi4:latest" #~ msgstr "openchemistry/psi4:latest" #~ msgid "" #~ "\n" #~ "\n" #~ "

      {

      \n" #~ "

      \"theory\": \"dft\",

      \n" #~ "

      \"functional\": \"b3lyp\",

      \n" #~ "

      \"basis\": \"6-31g\",

      \n" #~ "

      \"task\": \"energy\"

      \n" #~ "

      }

      " #~ msgstr "" #~ "\n" #~ "\n" #~ "

      {

      \n" #~ "

      \"이론\": \"dft\",

      \n" #~ "

      \"기능\": \"b3lyp\",

      \n" #~ "

      \"기본\": \"6-31g\",

      \n" #~ "

      \"작업\": \"에너지\"

      \n" #~ "

      }

      " #~ msgid "Input Parameters:" #~ msgstr "입력 매개변수:" #~ msgid "Element & Ordinal" #~ msgstr "원소 및 서수" #~ msgid "'c' coordinate." #~ msgstr "'c' 좌표입니다." #, fuzzy #~ msgid "All files (*);;" #~ msgstr "모든 파일" #, fuzzy #~| msgid "Dihedral:" #~ msgid "octahedral" #~ msgstr "이면각:" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "분자" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "설정된 분자 없음" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "pH를 위해 수소 추가..." #~ msgid "Atom Properties..." #~ msgstr "원자 정보..." #~ msgid "Bond Properties..." #~ msgstr "결합 정보..." #~ msgid "Angle Properties..." #~ msgstr "결합각 정보..." #~ msgid "Torsion Properties..." #~ msgstr "비틀림 정보..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "분자 속성..." #~ msgid "Create Surfaces..." #~ msgstr "표면 형성..." #~ msgid "Insert Fragment..." #~ msgstr "파편 삽입..." #~ msgid "Theory:" #~ msgstr "이론:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "거리 (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "회전가능한" #, fuzzy #~| msgid "Conformer %1" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "이형태체 %1" #, fuzzy #~| msgid "Conformer %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "이형태체 %1" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "각 %1" #, fuzzy #~| msgid "Angle:" #~ msgid "Angle" #~ msgstr "각:" #, fuzzy #~| msgid "Conformer %1" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "이형태체 %1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "비틀림 %1" #, fuzzy #~| msgctxt "Degree symbol" #~| msgid "Torsion %1" #~ msgid "Torsion" #~ msgstr "비틀림 %1" #, fuzzy #~| msgid "Energy (kJ/mol):" #~ msgid "Energy (kJ/mol)" #~ msgstr "에너지 (kJ/mol):" #, fuzzy #~| msgid "Years" #~ msgid "Yes" #~ msgstr "년" #, fuzzy #~| msgid "Neon" #~ msgid "No" #~ msgstr "네온" #, fuzzy #~ msgid "Input Generators" #~ msgstr "생성기 입력..." #, fuzzy #~ msgid "Import" #~ msgstr "불러오기" #~ msgid "Insert SMILES" #~ msgstr "SMILES 삽입" #~ msgid "Insert SMILES fragment:" #~ msgstr "SMILES 조각 삽입:" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "조각 삽입" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "더 큰 분자를 만들기 위해 분자 조각 삽입" #~ msgid "E&xtensions" #~ msgstr "확장기능" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&구조 최적화" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "구조 최적화" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "수소 추가" #, fuzzy #~ msgid "Stopped" #~ msgstr "중지" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "표면" #~ msgid "Color by Index" #~ msgstr "색인에 따라 채색" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "색인에 따라 채색 (빨강, 오렌지색, 노랑, 녹색, 파랑, 보라색)" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "부분 전하를 기반으로 채색 (파랑 = 양수, 빨강 = 음수)" #~ msgid "Custom Color:" #~ msgstr "사용자 지정 색:" #~ msgid "Set custom colors for objects" #~ msgstr "개체에 대한 사용자 색상 정의" #~ msgid "Color by Distance" #~ msgstr "거리에 따라 채색" #~ msgid "Color by distance from the first atom." #~ msgstr "첫번째 원자에서부터 거리로 채색" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "색상요소를 기반으로 채색 (탄소 = 회색, 산소 = 빨강, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "잔여부분 채색 (아미노산 타입, 광견병, ..." #~ msgid "Ununtrium" #~ msgstr "운운트리움" #~ msgid "Ununpentium" #~ msgstr "운운펜튬" #~ msgid "Ununseptium" #~ msgstr "운운셉튬" #~ msgid "Ununoctium" #~ msgstr "운운옥튬" #~ msgid "Engines" #~ msgstr "엔진" #~ msgid "Axes" #~ msgstr "축" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "공 (원자)과 막대 (결합)을 기본 요소로 표시" #~ msgid "Hydrogen Bond" #~ msgstr "수소결합" #~ msgid "Renders hydrogen bonds" #~ msgstr "수소결합 표시" #~ msgid "Select Atom Labels Color" #~ msgstr "원자 레이블 색상 선택" #~ msgid "Select Bond Labels Color" #~ msgstr "결합 레이블 색상 선택" #~ msgid "Select Bond Labels Font" #~ msgstr "결합 레이블 글꼴 선택" #~ msgid "Polygon" #~ msgstr "다각형" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "원자를 정사면체, 정팔면체, 기타 다각형으로 표시" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "단백질 골격을 리본형으로 표시" #~ msgid "Ring" #~ msgstr "고리형" #~ msgid "Renders rings with colored planes" #~ msgstr "채색된 평면과 함께 고리형으로 표시" #~ msgid "Simple Wireframe" #~ msgstr "단순한 와이어 프레임" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "거대분자에 최적화된 선으로 결합 나타내기" #~ msgid "Van der Waals Spheres" #~ msgstr "반 데르 발스 구형" #~ msgid "Stick" #~ msgstr "막대기" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "전자 밀도, 등곡면 = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, 등곡면 = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "초거대분자에 최적화된 선형으로 결합 나타내기" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr ".avi 확장기능 추가" #~ msgid "Animation..." #~ msgstr "애니메이션..." #~ msgid "Cannot read file format of file %1." #~ msgstr "%1 파일 포맷을 읽을 수 없습니다." #~ msgid "Read trajectory file %1 failed." #~ msgstr "%1 궤도 파일을 읽는 데에 실패했습니다." #~ msgid "Must specify a valid .avi file name" #~ msgstr "유효한 .avi 파일 이름을 지정해야 합니다" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "GL 위젯이 비디오를 저장하기 위해 올바르게 초기화되지 않았습니다" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "잘못된 비디오 파일이름. 전체 디렉토리 경로를 포함해야 합니다" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "잘못된 비디오 파일이름. 전체 디렉토리 경로와 파일이름을 포함하고, avi 확장" #~ "자로 끝나야 합니다." #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "궤도, 반응, 진동 애니메이션으로 표시" #~ msgid "Number of atoms: %1" #~ msgstr "원자의 수 : %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "회전할 수 있는 결합의 수: %1" #~ msgid "Add constraint" #~ msgstr "구속을 추가" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "분자에 구속을 추가하기 위해서는 최소한 하나의 원자를 포함하고 있어야 합니" #~ "다" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "분자에 결합 구속을 추가하기 위해서는 최소한 두 개의 원자를 포함하고 있어" #~ "야 합니다" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "분자에 각 구속을 추가하기 위해서는 최소한 세 개의 원자를 포함하고 있어야 " #~ "합니다" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "분자에 비틀림 구속를 추가하기 위해서는 최소한 네 개의 원자를 포함하고 있어" #~ "야 합니다" #~ msgid "&Length Unit" #~ msgstr "길이 단위(&L)" #~ msgid "&Angle Unit" #~ msgstr "각도 단위(&A)" #~ msgid "Hide &Property Display" #~ msgstr "속성 창 숨기기(&P)" #~ msgid "Show &Property Display" #~ msgstr "속성 창 보이기(&P)" #~ msgid "&Radian" #~ msgstr "라디안(&R)" #~ msgid "Trajectory..." #~ msgstr "궤도..." #~ msgid "Open chemical file format" #~ msgstr "화학 파일 포맷 열기" #~ msgid "Chemical files (*.xyz)" #~ msgstr "화학 파일 (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "매개 변수 파일 열기" #~ msgid "Import Trajectory" #~ msgstr "궤도 가져오기" #~ msgid "Import trajectory files" #~ msgstr "궤도 파일 불러오기" #~ msgid "Calculate Energy" #~ msgstr "에너지 계산" #~ msgid "Constraints..." #~ msgstr "구속..." #~ msgid "ForceField" #~ msgstr "힘 영역" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "분자역학 힘 영역을 이용하여 분자를 최적화하고 이형태체를 형성" #~ msgid "&Vector Graphics..." #~ msgstr "벡터 그래픽(&V)" #~ msgid "Common vector image formats" #~ msgstr "일반적인 벡터 이미지 포맷" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "벡터 그래픽 내보내기" #~ msgid "Change H to Methyl" #~ msgstr "수소를 메틸로 변경하기" #~ msgid "H to Methyl" #~ msgstr "수소를 메틸로" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "수소를 메틸기로 변경하기" #~ msgid "Add or remove hydrogens" #~ msgstr "수소를 추가하거나 제거" #~ msgid "Peptide..." #~ msgstr "펩티드..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "올리고펩티트 배열 삽입" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "쌍극자 모멘트 추정 (D):" #~ msgid "Display standard molecular properties." #~ msgstr "일반적인 분자 속성을 보여주기" #~ msgid "Fetch from URL..." #~ msgstr "URL로 부터 가져오기..." #~ msgid "PDB Entry" #~ msgstr "PDB 입력" #~ msgid "PDB entry to download." #~ msgstr "다운로드 할 PDB 항목" #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "다운로드할 분자 URL" #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "지정된 분자를 불러올 수 없습니다: %1" #~ msgid "Network Fetch" #~ msgstr "네트워크에서 가져오기" #~ msgid "Fetch molecule files over the network." #~ msgstr "분자 파일을 네트워크로 가져옴" #~ msgid "Show Preview" #~ msgstr "미리보기" #~ msgid "Hide Preview" #~ msgstr "미리보기 숨기기" #~ msgid "Save POV-Ray rendered image" #~ msgstr "렌더링된 POV-Ray 이미지 저장" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "이미지 파일 (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "유효한 파일 이름을 입력하지 않았습니다." #~ msgid "Does not compute." #~ msgstr "계산할 수 없습니다." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "POV-Ray를 사용해서 렌더링하지 않고, POV-Ray 파일을 저장하지도 않도록 요청" #~ "했습니다. 이렇게 하면 아무 결과도 저장되지 않습니다. 정말로 이렇게 할까요?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "파일 %1에 기록할 수 없습니다. 그 장소에 기록할 수 있는 승인을 가지고 있습" #~ "니까?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray를 시작하는데 실패했습니다." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray를 시작하지 못했습니다. 아마도 실행 파일 위치가 잘못 설정되어 있을 " #~ "것입니다." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "POV-Ray 파일을 만들고 POV-Ray 명령행 프로그램을 사용하여 렌더링함" #~ msgid "Conformer Properties..." #~ msgstr "이형태체 정보..." #~ msgid "Python Terminal" #~ msgstr "파이썬 터미널" #~ msgid "pythonTerminalDock" #~ msgstr "파이썬 터미널 도크" #~ msgid "Interactive python scripting terminal" #~ msgstr "쌍방향 파이썬 스크립트 터미널" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP 선택..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM 선택..." #~ msgid "Delete" #~ msgstr "지우기" #~ msgid "You must make a selection!" #~ msgstr "선택을 하여야 합니다" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES 변환이 불가능함" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES 포맷 변환이 불가능합니다!" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "GAMESS 양자 화학 패키지를 위해 입력 파일을 형성" #~ msgid "Advanced Settings Changed" #~ msgstr "고급 설정이 변경됨" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "고급 설정이 변경되었습니다.\n" #~ "저장하지 않으시겠습니까?" #~ msgid "Advanced Settings Reset" #~ msgstr "고급 설정이 초기화됨" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "고급 설정을 초기화 하시겠습니까?\n" #~ "모든 변경사항을 잃게됩니다!" #~ msgid "Basic Settings Reset" #~ msgstr "기본 설정 초기화" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "기본 설정 내용을 초기화 하시겠습니까?\n" #~ "모든 변경사항을 잃게됩니다!" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "가우스 입력 데크 생성기 경고" #~ msgid "Gaussian Running." #~ msgstr "가우스 실행중" #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "가우스가 이미 실행중입니다. 이전의 계산이 끝날 때까지 기다려 주십시오" #~ msgid "Gaussian Not Installed." #~ msgstr "가우스가 설치되지 않았습니다." #~ msgid "The G03 executable, cannot be found." #~ msgstr "실행가능한 G03이 발견되지 않았습니다" #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03이 시작하지 않았습니다. 아마도 완전히 설치되지 않은 것 같습니다." #~ msgid "Running Gaussian calculation..." #~ msgstr "가우스 계산 실행중..." #~ msgid "G03 Crashed." #~ msgstr "G03 충돌" #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "가우스가 정확하게 동작하지 않습니다. 아마도 완전히 설치되지 않은 것으로 보" #~ "입니다." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC 입력 경고" #~ msgid "MOPAC Running." #~ msgstr "MOPAC 실행중." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "MOPAC이 이미 실행중입니다. 이전의 계산이 끝날 때까지 기다려주십시오." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC이 설치되지 않았습니다." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "실행할 수 있는 MOPAC을 찾지 못했습니다" #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC이 시작되지 않았습니다. 아마도 올바르게 설치되지 않은 것 같습니다." #~ msgid "Running MOPAC calculation..." #~ msgstr "MOPAC 계산 실행중..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC 충돌" #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC이 올바르게 실행되지 않았습니다. 아마도 올바르게 설치되지 않은 것 같" #~ "습니다." #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem 입력 데크 생성기 경고" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Q-Chem 입력 데크 미리보기에서 만들어진 모든 변경사항을 잃고, 이전의 텍스트" #~ "를 업데이트 하시겠습니까?" #~ msgid "Select SMARTS..." #~ msgstr "SMARTS 선택..." #~ msgid "SMARTS Selection" #~ msgstr "SMARTS 선택" #~ msgid "SMARTS pattern to select" #~ msgstr "선택할 SMARTS 패턴" #~ msgid "There is no current selection." #~ msgstr "최근에 선택한 것이 없습니다." #~ msgid "Name cannot be empty." #~ msgstr "이름이 비워져서는 안됩니다." #~ msgid "There is already a selection with this name." #~ msgstr "이미 이 이름을 선택한 경우가 있습니다." #~ msgid "Select atoms, bonds, residues..." #~ msgstr "원자, 결합, 잔류물 선택" #~ msgid "Open a vertex shader source file" #~ msgstr "vertex shader 소스 파일 열기" #~ msgid "Open a fragment shader source file" #~ msgstr "fragment shader 소스 파일 열기" #~ msgid "Open a shader parameters file" #~ msgstr "shader 파라미터 파일 열기" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "OpenGL 2.0 GLSL shader를 열고 사용하기" #~ msgid "Transmittance (%)" #~ msgstr "투과율 (%)" #~ msgid "Absorbance (%)" #~ msgstr "흡광도 (%)" #~ msgid "No intensities" #~ msgstr "Intensity 값 없음" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "지금 연 분자의 vibration 데이터에는 intensity 값이 없습니다. Intensity는 " #~ "시각화를 위해 임의의 값이 주어집니다." #~ msgid "X Axis" #~ msgstr "X 축" #~ msgid "Y Axis" #~ msgstr "Y 축" #~ msgid "&Infrared Spectra Settings" #~ msgstr "적외선 스펙트럼 설정" #~ msgid "&NMR Spectra Settings" #~ msgstr "NMR 스펙트럼 설정" #~ msgid "&UV Settings" #~ msgstr "자외선 설정(&U)" #~ msgid "No data" #~ msgstr "데이터 없음" #~ msgid "Dark" #~ msgstr "어둡게" #~ msgid "Publication" #~ msgstr "출판" #~ msgid "New Scheme" #~ msgstr "새 도표" #~ msgid "Confirm Scheme Removal" #~ msgstr "도표 제거 확인" #~ msgid "Really remove current scheme?" #~ msgstr "최근의 도표를 제거하시겠습니까?" #~ msgid "Change Scheme Name" #~ msgstr "도표 이름 변경" #~ msgid "Enter new name for current scheme:" #~ msgstr "최근의 도표에 대한 새로운 이름 입력:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "탭으로 분리된 값 (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "탭으로 분리된 값" #~ msgid "Comma Separated Values" #~ msgstr "쉼표로 분리된 값" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "알려지지 않은 확장자: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR 데이터 (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomole IR 데이터 (control)" #~ msgid "Data Format" #~ msgstr "데이터 형식" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "형식:" #~ msgid "Load Spectral Data" #~ msgstr "스펙트럼 데이터 불러오기" #~ msgid "Portable Network Graphics" #~ msgstr "PNG" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "선택된 이미지 파일 형식" #~ msgid "Windows Bitmap" #~ msgstr "Windows 비트맵" #~ msgid "Portable Pixmap" #~ msgstr "휴대용 픽스맵(PPM)" #~ msgid "X11 Bitmap" #~ msgstr "X11 비트맵" #~ msgid "X11 Pixmap" #~ msgstr "X11 픽스맵" #~ msgid "Save Spectra Image" #~ msgstr "스펙트럼 이미지 저장" #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "양자화학 계산 결과로부터 스펙트럼을 보여줌" #~ msgid "Vibrational Analysis" #~ msgstr "진동 계산" #~ msgid "Pause" #~ msgstr "일시정지" #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "이 문서는 현재 분리된 분자입니다. 유닛 셀을 만들어야 합니다." #~ msgid "Orbitals" #~ msgstr "오비탈" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "없음" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "반 데르 발스" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "전자 밀도" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "오류 - 정의되지 않은 타입" #~ msgid "Insert Nanotube" #~ msgstr "나노튜브 삽입" #~ msgid "GL widget has no molecule" #~ msgstr "GL 위젯은 분자를 가지고 있지 않음" #~ msgid "Building video " #~ msgstr "비디오 만들기 " #~ msgid "Could not run mencoder." #~ msgstr "멘코더를 실행할 수 없음" #~ msgid "Connect" #~ msgstr "연결" #~ msgid "Disconnect" #~ msgstr "연결 해제" #~ msgid "Debug Information" #~ msgstr "디버그 정보" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "보기 크기: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "원자: %L1" #~ msgid "Could not open file '%1' for reading." #~ msgstr "읽기 위한 파일 '%1'을 열 수 없습니다" #~ msgid "File %1 cannot be opened for reading." #~ msgstr "읽기 위한 %1 파일을 열 수 없습니다." #~ msgid "File %1 can not be opened for writing." #~ msgstr "파일 %1을 쓰기 위해 열 수 없습니다" #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "분자 파일 저장 실패 - 새 파일의 이름을 변경할 수 없음" #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "분자 파일 저장 실패 - 이전 파일을 지울 수 없음" #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "파일 '%1'에 분자 기록 실패. OpenBabel 기능 실패." #~ msgid "Molecule %1" #~ msgstr "분자 %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "알수없는 Python 엔진" #~ msgid "PythonEngine: checking " #~ msgstr "Python엔진: 확인중 " #~ msgid " - no module" #~ msgstr " - 모듈이 없음" #~ msgid "Unknown Python Extension" #~ msgstr "알수없는 Python 확장기능" #~ msgid "PythonExtension: checking " #~ msgstr "Python확장기능: 확인중 " #~ msgid "Unknown Python Tool" #~ msgstr "알수없는 Python 도구" #~ msgid "PythonTool: checking " #~ msgstr "Python도구: 확인중 " #~ msgid "Tools" #~ msgstr "도구" #~ msgid "Align:" #~ msgstr "정렬:" #~ msgid "Everything" #~ msgstr "전체" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "자동설정: 힘영역을 설정할 수 없습니다...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "자동설정: E = %1 %2 (dE = %3)" #~ msgid "Algorithm:" #~ msgstr "알고리즘:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "분자동역학 (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "분자동역학 (900K)" #~ msgid "Start" #~ msgstr "시작" #~ msgid "Fixed atoms are movable" #~ msgstr "고정된 원자를 움직일 수 있습니다" #~ msgid "Ignored atoms are movable" #~ msgstr "무시된 원자를 움직일 수 있습니다" #~ msgid "AutoOpt Molecule" #~ msgstr "분자 자동설정" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "분자구조 자동최적화" #~ msgid "AutoOptimization Settings" #~ msgstr "자동최적화 설정" #~ msgid "Auto Rotation Tool" #~ msgstr "자동 회전 도구" #~ msgid "x rotation:" #~ msgstr "x 회전:" #~ msgid "x rotation" #~ msgstr "x 회전" #~ msgid "y rotation:" #~ msgstr "y 회전:" #~ msgid "y rotation" #~ msgstr "y 회전" #~ msgid "z rotation:" #~ msgstr "z 회전:" #~ msgid "z rotation" #~ msgstr "z 회전" #~ msgid "Automatic rotation of molecules" #~ msgstr "분자 자동 회전" #~ msgid "AutoRotate Settings" #~ msgstr "자동 회전 설정" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "결합 길이: %L1" #~ msgid " Show Angles" #~ msgstr " 각 보여주기" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "거리 (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "거리 (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "이면각: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "거리:" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "결합 길이, 각, 이면각 측정" #~ msgid "Draw Bond" #~ msgstr "결합 그리기" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "원자와 결합 그리기 및 편집" #~ msgid "Draw Settings" #~ msgstr "그리기 설정" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "원자와 조각을 해석, 회전 및 조작" #~ msgid "Manipulate Settings" #~ msgstr "조작 설정" #~ msgid "Navigate Settings" #~ msgstr "내비게이션 설정" #~ msgid "Selection Mode:" #~ msgstr "선택 모드:" #~ msgid "Atom/Bond" #~ msgstr "원자/결합" #~ msgid "Residue" #~ msgstr "잔류물" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "원자, 잔류물, 분자 선택" #~ msgid "Symbol" #~ msgstr "기호" #~ msgid "Bond Length" #~ msgstr "결합 길이" #~ msgid "Dihedral Angle" #~ msgstr "이면각" #~ msgid "Create/edit a z-matrix" #~ msgstr "z-matrix 만들기/편집" #~ msgid "Z-Matrix Settings" #~ msgstr "Z-Matrix 설정" #~ msgid "Color residues by:" #~ msgstr "잔류물 채색:" #~ msgid "Hydrophobicity" #~ msgstr "소수성" #~ msgid "Atom Radius:" #~ msgstr "원자 반지름:" #~ msgid "Bond Radius:" #~ msgstr "결합 반지름:" #~ msgid "Shape" #~ msgstr "모양" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "반복" #~ msgid "Dipole:" #~ msgstr "쌍극자:" #~ msgid "Width:" #~ msgstr "폭:" #~ msgid "Cut-off angle:" #~ msgstr "각 잘라내기:" #~ msgid "Symbol & Atom number" #~ msgstr "기호 & 원자 번호" #~ msgid "Custom data" #~ msgstr "사용자 설정 값" #~ msgid "Bond length" #~ msgstr "결합 길이" #~ msgid "Bond number" #~ msgstr "결합 번호" #~ msgid "Bond order" #~ msgstr "결합 차수" #~ msgid "Radius:" #~ msgstr "반지름:" #~ msgid "Include Nitrogens" #~ msgstr "질소 포함" #~ msgid "Orbital:" #~ msgstr "오비탈:" #~ msgid "Render:" #~ msgstr "표현:" #~ msgid "Fill" #~ msgstr "채우기" #~ msgid "Points" #~ msgstr "점" #~ msgid "Draw Box:" #~ msgstr "그리기 상자:" #~ msgid "Positive" #~ msgstr "양수" #~ msgid "Negative" #~ msgstr "음수" #~ msgid "Show Atoms" #~ msgstr "원자 보여주기" #~ msgid "Animate Trajectory" #~ msgstr "궤도 애니메이션 시작" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "반복" #~ msgid "Save as .avi..." #~ msgstr "avi 형식으로 저장하기" #~ msgid "Number of atoms:" #~ msgstr "원자의 수:" #~ msgid "Number of rotatable bonds:" #~ msgstr "회전가능한 결합의 수:" #~ msgid "Ignore Atom" #~ msgstr "무시된 원자" #~ msgid "Fix Atom" #~ msgstr "원자 고정" #~ msgid "Fix Atom X" #~ msgstr "원자 X 고정" #~ msgid "Fix Atom Y" #~ msgstr "원자 Y 고정" #~ msgid "Fix Atom Z" #~ msgstr "원자 Z 고정" #~ msgid "Torsion angle" #~ msgstr "비틀림 각도" #~ msgid "Add" #~ msgstr "추가" #~ msgid "Save" #~ msgstr "저장" #~ msgid "Load" #~ msgstr "불러오기" #~ msgid "File Import..." #~ msgstr "파일 불어오기..." #~ msgid "Setup Force Field" #~ msgstr "힘 영역 설정" #~ msgid "Algorithm" #~ msgstr "알고리즘" #~ msgid "10e-" #~ msgstr "10e-" #~ msgid "Ala" #~ msgstr "알라닌(Ala)" #~ msgid "Arginine" #~ msgstr "아르기닌" #~ msgid "Arg" #~ msgstr "아르기닌(Arg)" #~ msgid "Asparagine" #~ msgstr "아스파라긴" #~ msgid "Asn" #~ msgstr "아스파라긴(Asn)" #~ msgid "Aspartic acid" #~ msgstr "아스파르트 산" #~ msgid "Asp" #~ msgstr "아스파르트 산(Asp)" #~ msgid "Cysteine" #~ msgstr "시스테인" #~ msgid "Cys" #~ msgstr "시스테인(Cys)" #~ msgid "Glutamic acid" #~ msgstr "글루탐산" #~ msgid "Glu" #~ msgstr "글루탐산(Glu)" #~ msgid "Glutamine" #~ msgstr "글루타민" #~ msgid "Gln" #~ msgstr "글루타민(Gln)" #~ msgid "Glycine" #~ msgstr "글리신" #~ msgid "Gly" #~ msgstr "글리신(Gly)" #~ msgid "Histidine" #~ msgstr "히스티딘" #~ msgid "His" #~ msgstr "히스티딘(His)" #~ msgid "Isoleucine" #~ msgstr "이소류신" #~ msgid "Ile" #~ msgstr "이소류신(Ile)" #~ msgid "Val" #~ msgstr "발린(Val)" #~ msgid "Tyr" #~ msgstr "티로신(Tyr)" #~ msgid "Tryptophan" #~ msgstr "트립토판" #~ msgid "Trp" #~ msgstr "트립토판(Trp)" #~ msgid "Threonine" #~ msgstr "트레오닌" #~ msgid "Thr" #~ msgstr "트레오닌(Thr)" #~ msgid "Serine" #~ msgstr "세린" #~ msgid "Ser" #~ msgstr "세린(Ser)" #~ msgid "Proline" #~ msgstr "프롤린" #~ msgid "Phenylalanine" #~ msgstr "페닐알라닌" #~ msgid "Phe" #~ msgstr "페닐알라닌(Phe)" #~ msgid "Methionine" #~ msgstr "메티오닌" #~ msgid "Met" #~ msgstr "메티오닌(Met)" #~ msgid "Lysine" #~ msgstr "리신" #~ msgid "Lys" #~ msgstr "리신(Lys)" #~ msgid "Leucine" #~ msgstr "류신" #~ msgid "Leu" #~ msgstr "류신(Leu)" #~ msgid "Stereochemistry:" #~ msgstr "입체화학:" #~ msgid "L" #~ msgstr "L" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Chain Number:" #~ msgstr "연쇄 번호:" #~ msgid "The chain number for the new peptide" #~ msgstr "새 펩티드에 대한 연쇄번호" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "잔류물의 수:" #~ msgid "Dipole Moment (D):" #~ msgstr "쌍극자 모멘트 (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "Advanced" #~ msgstr "고급" #~ msgid "Grid" #~ msgstr "격자" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray 내보내기" #~ msgid "Select..." #~ msgstr "선택..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "전체 화면 안티앨리어싱 사용" #~ msgid "Antialias" #~ msgstr "안티앨리어싱" #~ msgid "Set the background color to be transparent" #~ msgstr "배경화면 색상 투명하게 설정하기" #~ msgid "Alpha transparency" #~ msgstr "알파 투명" #~ msgid "Compute..." #~ msgstr "계산..." #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "&Advanced Setup" #~ msgstr "고급 설정(&A)" #~ msgid "System" #~ msgstr "시스템" #~ msgid "Read" #~ msgstr "읽기" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "Default" #~ msgstr "기본값" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Debug" #~ msgstr "디버그" #~ msgid "CI" #~ msgstr "CI" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "Minutes" #~ msgstr "분" #~ msgid "Hours" #~ msgstr "시간" #~ msgid "Days" #~ msgstr "일" #~ msgid "Weeks" #~ msgstr "주" #~ msgid "MegaBytes" #~ msgstr "메가바이트" #~ msgid "GigaBytes" #~ msgstr "기가바이트" #~ msgid "Memory:" #~ msgstr "메모리:" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "반복" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "다음 값" #~ msgid "Skip" #~ msgstr "건너뛰기" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "알파와 베타 오비탈 회전" #~ msgid "Grid-Free" #~ msgstr "격자 없애기" #~ msgid "Quadratic Approximation" #~ msgstr "2차 근사치" #~ msgid "Standard" #~ msgstr "표준" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem 입력" #~ msgid "Display Type:" #~ msgstr "표시 형식:" #~ msgid "Font:" #~ msgstr "글꼴:" #~ msgid "Change Font..." #~ msgstr "글꼴 변경..." #~ msgid "New..." #~ msgstr "새로 만들기..." #~ msgid "Rename..." #~ msgstr "이름 바꾸기..." #~ msgid "&Schemes:" #~ msgstr "도표(&S):" #~ msgid "&DPI:" #~ msgstr "DPI(&D):" #~ msgid "&Width:" #~ msgstr "너비(&W):" #~ msgid "&Height" #~ msgstr "높이(&H)" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "&Y Axis Units:" #~ msgstr "Y 축 단위:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "분자 진동" #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "고주파 진동은 빠른 운동을 보여줄 것입니다" #~ msgid "Animation speed set by frequency" #~ msgstr "진동수에 의한 애니메이션 속도 설정" #~ msgid "Display force &vectors" #~ msgstr "힘, 벡터 표시" #~ msgid "Surface Type:" #~ msgstr "표면 형식:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "낮음" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "중간" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "높음" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "매우 높음" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "표시 형식:" #~ msgid "New Display" #~ msgstr "새로운 창" #~ msgid "Advanced..." #~ msgstr "고급..." #~ msgid "Python Settings" #~ msgstr "파이썬 설정" #~ msgid "Z Matrix Editor" #~ msgstr "Z 행렬 편집기" avogadrolibs-1.100.0/i18n/ms.po000066400000000000000000012376001474375334400161120ustar00rootroot00000000000000# Malay translation for avogadro # Copyright (c) 2012 Rosetta Contributors and Canonical Ltd 2012 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2012. # Azuwan , 2021. # Kazuki278 , 2021. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-16 14:01+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Malay \n" "Language: ms\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=1; plural=0;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, fuzzy, qt-format msgid "%1 Input Generator" msgstr "%1 Penjana Input" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Teruskan" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Tutup" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Tidak Diketahui" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Hidrogen" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Litium" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Berilium" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Boron" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Karbon" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Nitrogen" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Oksigen" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Florin" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Natrium" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnesium" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Aluminum" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silikon" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fosforus" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Sulfur" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Klorin" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Kalium" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Kalsium" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Skandium" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titanium" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadium" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Kromium" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Ferum" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nikel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Kuprum" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Zink" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Galium" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsenik" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selenium" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Bromin" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Kripton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Yitrium" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirkonium" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niobium" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molibdenum" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Tektenium" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Rutenium" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rodium" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Paladium" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Argentum" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Kadmium" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Stanum" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimoni" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Telurium" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Iodin" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Sesium" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantanum" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Serium" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodimium" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodimium" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Prometium" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Disprosium" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Tulium" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantalum" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Tungsten" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Rhenium" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platinum" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Emas" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Raksa" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Talium" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Plumbum" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bismut" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astatin" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Fransium" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Aktinium" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Torium" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protaktinium" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uranium" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptinium" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Amerisium" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Kurium" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Kalifornium" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Lawrensium" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Roentgenium" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Copernicium" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moscovium" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tennessin" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Semua Fail" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Tajuk" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 #, fuzzy msgid "Theory" msgstr "Teori" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Asas" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Bebola dan Batang" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Kartun" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Momen Dwikutub" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Daya" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Label" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 #, fuzzy #| msgid "QTAIM" msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Bingkai Wayar" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "Tiada tajuk" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Jadual Berkala" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Tambah Atom" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Buang Atom" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Laras Hidrogen" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Ubah Unsur" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Ubah Unsur" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Tambah Ikatan" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 #, fuzzy msgid "Clear Bonds" msgstr "Padam Ikatan" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Ubah Tertib Ikatan" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 #, fuzzy msgid "Remove Unit Cell" msgstr "Buang Sel Unit" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 #, fuzzy msgid "Wrap Atoms to Cell" msgstr "Lilit Atom ke Sel" #: qtgui/rwmolecule.cpp:522 #, fuzzy msgid "Scale Cell Volume" msgstr "Skalakan Volum Sel Unit" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "Putar ke Orientasi Piawai" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 #, fuzzy msgid "Reduce to Primitive" msgstr "Kurangkan ke Sel Primitif" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Isi Sel Unit" #: qtgui/rwmolecule.cpp:702 #, fuzzy msgid "Reduce Cell to Asymmetric Unit" msgstr "Kurangkan ke Unit Asimetrik" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 #, fuzzy #| msgid "&Settings" msgid "Settings" msgstr "Tetapan" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Fail" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 #, fuzzy msgid "&Export" msgstr "&Eksport" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Bina" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Unsur:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Jajar" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" "Jajar Molekul\n" "\n" "Butang Kiri Tetikus: \tPilih sehingga dua atom.\n" "\tAtom pertama berada dipusat.\n" "\tAtom kedua dijajar mengikut paksi yang dipilih.\n" "Butang Kanan Tetikus: \tTetap semula jajaran.\n" "Dwi-Klik: \tTengah atom dipusat." #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Paksi:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 #, fuzzy #| msgid "selected atom to origin" msgid "Center the atom at the origin." msgstr "atom terpilih ke asalan" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Jajar molekul ke paksi Cartes" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, fuzzy msgid "IO Error" msgstr "Ralat" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Ralat" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "Berjaya" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "Warna Suai…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "Unsur" #: qtplugins/applycolors/applycolors.cpp:72 #, fuzzy msgid "By Chain" msgstr "Rantaian" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy #| msgid "Partial Charge" msgid "By Partial Charge…" msgstr "Cas Separa…" #: qtplugins/applycolors/applycolors.cpp:82 #, fuzzy msgid "By Secondary Structure" msgstr "struktur sekunder" #: qtplugins/applycolors/applycolors.cpp:87 #, fuzzy msgid "By Amino Acid" msgstr "Asid Amino" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 #, fuzzy #| msgid "Spectra" msgctxt "colormap" msgid "Spectral" msgstr "Spektrum" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Lihat" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 #, fuzzy msgid "Color Residues" msgstr "Warna mengikut Baki" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Papar Ikatan Berbilang" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Manipulasi Di Pusat Ikatan" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Manipulasi Di Pusat Ikatan" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "Ikatan" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Tulang Belakang" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Riben" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Kartun" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Tambah Pusat Jisim" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "Sambungan" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #, fuzzy msgid "Scripts" msgstr "Skrip" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 #, fuzzy #| msgid "Other" msgid "Other…" msgstr "Lain-lain…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "Penyunting koordinat…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "Penyunting koordinat" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Nama unsur." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Simbol Unsur." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Indeks Atom." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Nombor Atom." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Suai" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Input Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 #, fuzzy msgid "Copy" msgstr "Salin" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 #, fuzzy msgid "Clear" msgstr "Kosongkan" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Tenaga" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 #, fuzzy msgid "Molecular Dynamics" msgstr "Dinamik Molekul" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 #, fuzzy msgid "Geometry Optimization" msgstr "Pengoptimuman Geometri" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 #, fuzzy msgid "Molecular Mechanics" msgstr "Mekanik Molekul" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "TIADA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 #, fuzzy msgid "Conjugate Gradients" msgstr "Gradien Konjugat" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 #, fuzzy msgid "Steepest descent" msgstr "Penurunan Tercuram" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy msgid "Import Crystal from Clipboard…" msgstr "Import Hablur dari Papan Keratan…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy msgid "Edit Unit Cell…" msgstr "Tambah Sel Unit…" #: qtplugins/crystal/crystal.cpp:57 #, fuzzy msgid "&Wrap Atoms to Unit Cell" msgstr "&Lilit Atom ke Sel" #: qtplugins/crystal/crystal.cpp:63 #, fuzzy msgid "Rotate to Standard &Orientation" msgstr "Putar ke &Orientasi Piawai" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy msgid "Scale Cell &Volume…" msgstr "Skalakan Sel Ke &Volum…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Kurangkan Sel (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "&Crystal" msgstr "Hablur" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Buang Sel &Unit" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Tambah Sel &Unit" #: qtplugins/crystal/crystal.cpp:168 #, fuzzy msgid "Import Crystal from Clipboard" msgstr "Import Hablur dari Papan Keratan" #: qtplugins/crystal/crystal.cpp:175 #, fuzzy #| msgid "&Keep atoms in unit cell" msgid "Wrap atoms into the unit cell." msgstr "Kekalkan atom dalam sel unit." #: qtplugins/crystal/crystal.cpp:177 #, fuzzy #| msgid "Rotate to Standard Orientation" msgid "Rotate the unit cell to the standard orientation." msgstr "Putar ke Orientasi Piawai" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 #, fuzzy msgid "The unit cell is already reduced." msgstr "Unit sel ini sudah dikurangkan." #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "Hablur" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Tidak Dapat Hurai Teks" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Lukis" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Lukis Atom" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Jarak:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Tunggal" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Dubel" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Tripel" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 #, fuzzy msgid "&Import" msgstr "&Import" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Diperoleh dari PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Struktur kimia untuk dimuat turun." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Muat Turun Rangkaian Gagal" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Had masa tamat rangkaian atau ralat lain." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Molekul yang dinyatakan tidak ditemui: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Diperoleh dari PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 #, fuzzy msgid "Optimize Geometry" msgstr "Optimumkan Geometri" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Sediakan…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy #| msgid "Import Selected Atoms" msgid "Freeze Selected Atoms" msgstr "Baiki Atom Terpilih" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "Kira" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Tenaga = %L1 %2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield optimization" msgstr "Pengoptimuman Medan Daya" #: qtplugins/forcefield/forcefield.h:50 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" msgstr "Pengoptimuman Medan Daya" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "&GAMESS" msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Input GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "Tenaga Titik Tunggal" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Geometri Keseimbangan" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Keadaan Peralihan" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Frekuensi" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Keupayaan Teras" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Air" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Dublet" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "DIkation" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Kation" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neutral" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Laras Hidrogen" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Tambah Hidrogen" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Buang Hidrogen" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "&Hidrogen" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrogen" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 #, fuzzy #| msgid "DNA/RNA..." msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "Sis&ip" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy #| msgid "Insert DNA/RNA" msgid "Insert DNA/RNA…" msgstr "Sisip DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "Urasil" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "Tiamina" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 #, fuzzy #| msgid "Molecule" msgid "Insert Molecule…" msgstr "Sisip Molekul…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy #| msgid "Insert DNA" msgid "InsertDNA" msgstr "Sisip DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "Molekul…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Hablur…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "Import Hablur" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Sisip Cebisan" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Sisip Cebisan" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Sisip cebisan molekul untuk membina molekul yang lebih besar" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "Warna:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Tiada" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "ID unik" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Unsur" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 #, fuzzy msgid "Atom Label:" msgstr "Label Atom:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 #, fuzzy #| msgid "&LAMMPS..." msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Anda hendak kemaskini teks pratonton, akan hilang semua perubahan dibuat " "dalam anak tetingkap pratonton dek input Lammps?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Kelegapan:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 #, fuzzy msgid "No descriptors found!" msgstr "Tiada Keterangan!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipulasi" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Ukur" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Dwihedron:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Sudut:" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "Sudut:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(tertangguh)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy #| msgid "Molecular Graph..." msgid "&Molecular…" msgstr "&Molekul…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 #, fuzzy msgid "&Analysis" msgstr "&Analitik" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "Si&fat" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Sifat Molekul" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Sifat Molekul" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 #, fuzzy msgid "Export CSV" msgstr "Eksport CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 #, fuzzy #| msgid "WFN files (*.wfn);;All files (*.*)" msgid "CSV Files (*.csv);;All Files (*)" msgstr "Fail CSV (*.csv);;Semua fail (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 #, fuzzy #| msgid "Could not open file '%1' for writing." msgid "Could not open the file for writing." msgstr "Tidak dapat buka fail '%1' untuk penulisan." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy msgid "Export…" msgstr "Eksport…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigasi" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Nama Kimia" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 #, fuzzy msgid "Configure Force Field…" msgstr "Sediakan Medan Daya…" #: qtplugins/openbabel/openbabel.cpp:59 #, fuzzy #| msgid "Conformer Search" msgid "Conformer Search…" msgstr "Gelintar Konformer…" #: qtplugins/openbabel/openbabel.cpp:65 #, fuzzy msgid "Perceive Bonds" msgstr "Amati ikatan" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Tambah Hidrogen untuk pH…" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "Buang Hidrogen" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "&Optimumkan Geometri (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Fail trajektori %1 tidak serasi dengan bilangan atom yang ada dalam molekul" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Tambah Hidrogen (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "Tambah Hidrogen untuk pH" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Buang Hidrogen (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Anda hendak kemaskini teks pratonton, tetapi hilang semua perubahan dibuat " "dalam anak tetingkap pratonton dek input OpenMM?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Henti" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 #, fuzzy msgid "Dynamic bonding?" msgstr "Ikatan Dinamik" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "fail video (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 #, fuzzy msgid "PLY Render…" msgstr "Sinar-PLY…" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 #, fuzzy msgid "Save File" msgstr "Simpan Fail" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Valens" #: qtplugins/propertytables/propertymodel.cpp:503 #, fuzzy msgid "Formal Charge" msgstr "Cas formal" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "Warna" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Jenis" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "Atom Mula" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Atom Hujung" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Tertib Ikatan" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Panjang (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 #, fuzzy msgid "Chain" msgstr "Rantaian" #: qtplugins/propertytables/propertymodel.cpp:556 #, fuzzy msgid "Secondary Structure" msgstr "Struktur Sekunder" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Atom 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Puncak" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Atom 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Sudut (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Atom 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Atom 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "Heliks" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "Heliks" #: qtplugins/propertytables/propertymodel.cpp:939 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "Lembaran" #: qtplugins/propertytables/propertymodel.cpp:941 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Heliks 3-10" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "Sifat Atom…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "Sifat Ikatan…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Sifat Sudut…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy #| msgid "Torsion Properties" msgid "Torsion Properties…" msgstr "Sifat Kilasan…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "Tetingkap untuk memaparkan sifat atom, ikatan, sudut dan kilasan." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Sifat Atom" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Sifat Ikatan" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Sifat Sudut" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Sifat Kilasan" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Sifat Konformer" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Terap primitif menggunakan sifat QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 #, fuzzy #| msgid "Molecular Graph..." msgid "Molecular Graph…" msgstr "Graf Molekul…" #: qtplugins/qtaim/qtaimextension.cpp:48 #, fuzzy #| msgid "Molecular Graph with Lone Pairs..." msgid "Molecular Graph with Lone Pairs…" msgstr "Graf Molekul dengan Pasangan Tersendiri…" #: qtplugins/qtaim/qtaimextension.cpp:55 #, fuzzy #| msgid "Atomic Charge..." msgid "Atomic Charge…" msgstr "Cas Atom…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Buka Fail WFN" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Fail WFN (*.wfn);;Semua fail (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Sambungan QTAIM" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "Tetap Semula" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Residue…" msgstr "Pilih mengikut Baki…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Pilih" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" msgstr "Pilih Baki" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "Pilih" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Pemilihan" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 #, fuzzy msgid "Paint Atoms" msgstr "Atom Mula" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 #, fuzzy #| msgid "New Label:" msgid "New Layer" msgstr "Label Baru:" #: qtplugins/spacegroup/spacegroup.cpp:50 #, fuzzy msgid "Perceive Space Group…" msgstr "Cerap Kumpulan Ruang…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Isi Sel Unit…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "Kurangkan ke Unit Asimetrik" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "Space Group" msgstr "Kumpulan Ruang" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 #, fuzzy msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Cerapan kumpulan ruang gagal.\n" "Anda hendak cuba lagi dengan toleransi yang berbeza?" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "Antarabangsa" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:385 #, fuzzy msgid "Select Space Group" msgstr "Tetap Kumpulan Ruang" #: qtplugins/spacegroup/spacegroup.h:24 #, fuzzy msgid "SpaceGroup" msgstr "Kumpulan Ruang" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgid "Spectra" msgid "Spectra" msgstr "Spektrum" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "Terinfra Merah" #: qtplugins/spectra/spectradialog.cpp:440 #, fuzzy #| msgctxt "Raman spectrum" #| msgid "Raman" msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 #, fuzzy #| msgid "electron" msgid "Electronic" msgstr "elektron" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 #, fuzzy #| msgid "&Density Of States Settings" msgid "Density of States" msgstr "Tetapan Keadaan" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Pilih Warna Latar Belakang" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Pilih Warna Latar Hadapan" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "Pilih Warna Spektrum Terkira" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "Pilih Warna Spektrum Terimport" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 #, fuzzy #| msgid "Wavenumber (cm-1)" msgid "Wavenumbers (cm⁻¹)" msgstr "Bilangan gelombang (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 #, fuzzy #| msgid "Intensities" msgid "Intensity" msgstr "Keamatan" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 #, fuzzy #| msgid "Shift (ppm)" msgid "Chemical Shift (ppm)" msgstr "Shift (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Tenaga (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Petala" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Simetri" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Status" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Orbital Molekul" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Ketumpatan Elektron" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Create Surfaces" msgid "Create Surfaces…" msgstr "Cipta Permukaan…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 #, fuzzy msgid "Calculating electron density" msgstr "Mengira Ketumpatan Elektron" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Permukaan" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 #, fuzzy #| msgid "Symmetry" msgid "Symmetry…" msgstr "Simetri…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, fuzzy, qt-format msgid "Group %1" msgstr "Kumpulan %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "Getaran" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, fuzzy, qt-format #| msgid "G03 failed to start." msgid "Error: %1 failed to start" msgstr "%1 gagal dimulakan" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dialog" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Bentuk" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "Sisip Cebisan…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Penapis:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "Taip nama atau bahagian nama yang hanya paparkan fail yang sepadan." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Sisip" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Medan Daya:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Berjaya!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial Charge" msgid "Partial Charges" msgstr "Cas Separa" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Laksana" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Tetap Semula Semua" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Lalai" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Simpan Fail…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "Persediaan &Asas" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Tajuk:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Kira:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Kaedah:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Pilihan Sel Super" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Ulang A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Ulang B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Ulang C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Laksana" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Sembunyi" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Skalakan Volum Sel Unit" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Label Teks" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Tertib Ikatan:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Input GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Dalam:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Gandaan:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Dengan:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Cas:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nama" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Sisip Asid Nukliek" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "Pembina DNA/RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Aisid Nukliek:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Sitosina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanina" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy #| msgid "G" msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy #| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Jujukan:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "bilangan pasangan asas per giliran heliks" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other" msgid "Other" msgstr "Lain-lain" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Asas Per Giliran:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Jaluran:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Tunggal" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Dubel" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Pilih gaya unit yang digunakan semasa simulasi." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "sebenar" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "logam" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elektron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Keupayaan Air" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Pilih gaya_atom yang digunakan oleh fail data." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Gaya Atom" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "sudut" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomik" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "ikatan" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "cas" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dwikutub" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "elipsoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "penuh" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "garis" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molekul" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "pero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "sfera" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "paket gelombang" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Nyatakan nama yang digunakan untuk fail koordinat." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Fail Data Koordinat" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Ensembel" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Suhu" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Pilih bilangan rantaian Nosé-Hoover dalam ensembel NVT." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "Rantaian NH" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Langkah masa untuk simulasi dalam unit berdasarkan pada spesifikasi \"Unit\"" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Langkah Masa" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Nama fail bagi fail XYZ untuk ditulis semasa simulasi." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Longgok XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Bilangan dimensi dalam sistem." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensi" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Ubah gaya sempadan Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "fm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Ubah gaya sempadan Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Ubah gaya sempadan X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) #, fuzzy #| msgid "Select bondary Styles in X, Y and Z directions." msgid "Select boundary Styles in X, Y and Z directions." msgstr "Pilih Gaya sempadan dalam arah X, Y dan Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Sempadan" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Bilangan replika dalam arah X, Y dan Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Replika" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Replikakan arah X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Replikakan arah Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Replikakan arah Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Jumlah langkah masa untuk jalani simulasi." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Jumlah Langkah" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Sela Longgok" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Tetapkan halaju atom awalan untuk simulasi." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Halaju Awalan" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Pilih agihan bagi halaju atom awalan." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussian" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "sekata" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "Tetapkan halaju atom awalan unti disepadankan dengan suhu ini." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Buang momentum linear sistem daripada halaju awalan." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Momentum Linear Sifar" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Buang momentum sudut sistem daripada halaju awalan." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Momentum Sudut Sifar" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Kawal output termodinamik semasa simulasi." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Sela Output" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Gaya output termodinamik." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Satu garis" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Berbilang garis" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Guna Bentuk" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Diterjemah oleh:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Putar:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Asalan" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "Paksi-X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Paksi-Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Paksi-Z" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Gelintar Konformer" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Kaedah" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Number of conformers" msgid "Number of conformers:" msgstr "Bilangan konformer:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Gelintar rotor sistematik" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Gelintar rotor rawak" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Gelintar rotor berpemberat" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Gelintar algoritma genetik" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Pilihan Algortima Genetik" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy #| msgid "Children" msgid "Children:" msgstr "Anak:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Mutability" msgid "Mutability:" msgstr "Ketermutasian:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) #, fuzzy #| msgid "Scoring method" msgid "Scoring method:" msgstr "Kaedah penskoran:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "RMSD" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Penurunan Tercuram" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Medan Daya:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Rujukan" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Tunggal" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Dubel" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Kekangan:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Suhu:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Jumlah Tenaga" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Panjang Gelombang:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Jejari Takat Kritikal:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Jejari Laluan Ikatan:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Kovalen" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Saiz Malar" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy #| msgid "Frequency Scale Factor:" msgid "Scale Factor:" msgstr "Faktor Skala:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Width:" msgid "Peak Width:" msgstr "Lebar:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) #, fuzzy #| msgid "Threshold:" msgid "Peak Threshold:" msgstr "Ambang:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "Pen&ilan" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Papar" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "Import tsv bagi spektrum eksperimen untuk tindihan pada plot." #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Import..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Tetapkan Warna..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Spektrum Terimport:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Eksport..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Latar Belakang:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Export Calculated Spectrum" msgid "Calculated Spectra:" msgstr "Spektrum Terkira:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy #| msgid "10e-" msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Eksport Data" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "T&utup" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Kawalan:\n" "Klik kiri dua kali: Pulih had paksi lalai\n" "Klik kanan + seret: Alih plot\n" "Klik tengah + seret: Zum ke kawasan\n" "Roda tatal: Zum ke kursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "&Muat data..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Kualiti: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Rendah" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Sederhana" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Tinggi" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Sangat Tinggi" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Cipta Permukaan" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Warna Mengikut:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy #| msgctxt "Electrostatic potential surface type" #| msgid "Electrostatic Potential" msgid "Electrostatic Potential" msgstr "Keupayaan Elektrostatik" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolusi:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Nilai permukaan-Iso:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " K" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Cerah" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Kira" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekul" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) #, fuzzy msgid "Formal Charge:" msgstr "Cas formal:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "1: Linear" msgstr "Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "2: Linear" msgstr "Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "Jenis:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) #, fuzzy msgid "From Clipboard" msgstr "dari Papan Keratan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Kumpulan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Kumpulan:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitud:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #, fuzzy msgid "Start Animation" msgstr "Mulakan Animasi" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) #, fuzzy msgid "Stop Animation" msgstr "Henti Animasi" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) #, fuzzy msgid " eV" msgstr "eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) #, fuzzy #| msgid "" #| "\n" #| "\n" #| "

      " msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" "\n" "\n" "

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,abuyop, ,Launchpad Contributions:,Avogadro Team," "abuyop, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison,abuyop, ," "Launchpad Contributions:,Avogadro Team,Geoff Hutchison,abuyop" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,,avogadro-devel@lists.sourceforge.net,,,,avogadro-devel@lists." "sourceforge.net,,,,,avogadro-devel@lists.sourceforge.net,," #, fuzzy #~ msgid "eV" #~ msgstr "eV" #, fuzzy #~ msgid "eV)" #~ msgstr "eV" #~ msgid "Partial Charge" #~ msgstr "Cas Separa" #, fuzzy #~| msgid "" #~| "Bond Centric Manipulation Tool\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view.\n" #~| "\n" #~| "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~| "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~| "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Alat Manipulasi Pusat Ikatan\n" #~ "\n" #~ "Butang Kiri Tetikus: \tKlik dan seret untuk putar pandangan.\n" #~ "Butang Tengah Tetikus: Klik dan seret untuk zum masuk dan keluar.\n" #~ "Butang Kanan Tetikus: \tKlik dan seret untuk alih pandangan.\n" #~ "Dwi-Klik: \tTetap semula pandangan.\n" #~ "\n" #~ "Klik Kiri & Seret pada Ikatan untuk tetapkan Satah Manipulasi:\n" #~ "Klik Kiri & Seret pada salah satu Atom dalam Ikatan untuk mengubah sudut\n" #~ "Klik Kanan & Seret pada salah satu Atom dalam Ikatan untuk mengubah " #~ "panjang" #, fuzzy #~| msgid "" #~| "Draw Tool (F8)\n" #~| "\n" #~| "Left Mouse: \tClick and Drag to create Atoms and Bonds\n" #~| "Right Mouse: \tDelete Atom" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Alat Lukis (F8)\n" #~ "\n" #~ "Butang Kiri Tetikus: \tKlik dan Seret untuk cipta Atom dan Ikatan\n" #~ "Butang Kanan Tetikus: \tPadam Atom" #, fuzzy #~| msgid "" #~| "Click to Measure (F12)\n" #~| "\n" #~| "Left Mouse: \tSelect up to three Atoms.\n" #~| "\tDistances are measured between 1-2 and 2-3\n" #~| "\tAngle is measured between 1-3 using 2 as the common point\n" #~| "Right Mouse: \tReset the measurements.Double-Click: \tReset the view." #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Klik untuk Ukur (F12)\n" #~ "\n" #~ "Butang Kiri Tetikus: \tPilih sehingga tiga Atom.\n" #~ "\tJarak diukur diantara 1-2 dan 2-3\n" #~ "\tSudut diukur diantara 1-3 menggunakan 2 sebagai titik umum\n" #~ "Butang Kanan Tetikus: \tTetap semula pengukuran.Dwi-Klik: \tTetap semula " #~ "pandangan." #, fuzzy #~| msgid "" #~| "Navigation Tool (F9)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Alat Navigasi (F9)\n" #~ "\n" #~ "Butang Kiri Tetikus: \tKlik dan seret untuk putar pandangan.\n" #~ "Butang Tengah Tetikus: Klik dan seret untuk zum masuk atau keluar.\n" #~ "Butang Kanan Tetikus: \tKlik dan seret untuk alih pandangan.\n" #~ "Dwi-Klik: \tTetap semula pandangan." #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animasi" #, fuzzy #~| msgid "" #~| "Selection Tool (F11)\n" #~| "\n" #~| "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~| "\tDrag to select a range of atoms\n" #~| "Right Mouse: \tClick outside the molecule to clear selection\n" #~| "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~| "Double-Click: \tSelect an entire fragment." #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Alat Pemilihan (F11)\n" #~ "\n" #~ "Butang Kiri Tetikus: \tKlik untuk ambil atom, baki, atau cebisan secara " #~ "individu\n" #~ "\tSeret untuk pilih julat atom\n" #~ "Butang Kanan Tetikus: \tKlik diluar molekul untuk batalkan pemilihan\n" #~ "Guna Ctrl untuk togol pemilihan dan shift untuk tambah pemilihan.\n" #~ "Dwi-Klik: \tPilih keseluruhan cebisan." #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals" #, fuzzy #~| msgid "" #~| "Manipulation Tool (F10)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to move atoms\n" #~| "Middle Mouse: Click and drag to move atoms further away or closer\n" #~| "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Alat Manipulasi (F10)\n" #~ "\n" #~ "Butang Kiri Tetikus \tKlik dan seret untuk alih atom\n" #~ "Butang Tengah Tetikus: Klik dan seret untuk alih atom lebih jauh atau " #~ "lebih dekat\n" #~ "Butang Kanan Tetikus: \tKlik dan seret untuk putar atom terpilih.\n" #~ "Dwi-Klik: \tTetap semula pandangan." #~ msgid "Geometry" #~ msgstr "Geometri" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Tambah Sel &Unit" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Indeks Atom" #, fuzzy #~ msgid "By Distance" #~ msgstr "Jarak" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Indeks Atom" #, fuzzy #~ msgid "&Copy" #~ msgstr "Salin Semua" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "Nama Molekul IUPAC:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Berat Molekul (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Formula Kimia:" #~ msgid "Number of Atoms:" #~ msgstr "Bilangan Atom:" #~ msgid "Number of Bonds:" #~ msgstr "Bilangan Ikatan:" #~ msgid "TODO" #~ msgstr "TODO" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Saiz Lompat:" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "Pengoptimuman" #, fuzzy #~ msgid "In." #~ msgstr "Dalam:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Cebisan..." #, fuzzy #~| msgid "DFT Functional:" #~ msgid "Functional Groups" #~ msgstr "Kefungsian DFT:" #~ msgid "Other..." #~ msgstr "Lain-lain..." #, fuzzy #~ msgid "Filename" #~ msgstr "Nama Fail:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Struktur:" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navigasi" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navigasi" #~ msgid "OK" #~ msgstr "OK" #~ msgid "Cancel" #~ msgstr "Batal" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Nama unsur" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Semua fail" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Rombohedron" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molekul" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Tiada molekul ditetapkan" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Hablur" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Tambah Hidrogen untuk pH..." #~ msgid "Atom Properties..." #~ msgstr "Sifat Atom..." #~ msgid "Bond Properties..." #~ msgstr "Sifat Ikatan..." #~ msgid "Angle Properties..." #~ msgstr "Sifat Sudut..." #~ msgid "Torsion Properties..." #~ msgstr "Sifat Kilasan..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Sifat Molekul..." #~ msgid "Create Surfaces..." #~ msgstr "Cipta Permukaan..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Simetri" #~ msgid "Insert Fragment..." #~ msgstr "Sisip Cebisan..." #~ msgid "Theory:" #~ msgstr "Teori:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Jarak (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Boleh Diputar" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Panjang %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Sudut %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Sudut %1" #~ msgid "Angle" #~ msgstr "Sudut" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Konformer %1\n" #~ "Kilasan %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Kilasan %1" #~ msgid "Torsion" #~ msgstr "Kilasan" #~ msgid "Energy (kJ/mol)" #~ msgstr "Tenaga (kJ/mol)" #~ msgid "Yes" #~ msgstr "Ya" #~ msgid "No" #~ msgstr "Tidak" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Penjana Input..." #, fuzzy #~ msgid "Import" #~ msgstr "Import" #~ msgid "Insert SMILES" #~ msgstr "Sisip SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Sisip cebisan SMILES:" #~ msgid "Insert Crystal" #~ msgstr "Sisip Hablur" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Sisip cebisan molekul untuk membina molekul yang lebih besar" #~ msgid "E&xtensions" #~ msgstr "Sa&mbungan" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimumkan Geometri" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Pengoptimuman Geometri" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Tambah Hidrogen" #, fuzzy #~ msgid "Stopped" #~ msgstr "Henti" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Permukaan" #~ msgid "Color by Index" #~ msgstr "Warna mengikut Indeks" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Warna mengikut Indeks (merah, jingga, kuning, hijau, biru, ungu)." #~ msgid "Color by Partial Charge" #~ msgstr "Warna mengikut Cas Separa" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "Warna mengikut cas separa atom (biru = positif, merah = negatif)." #~ msgid "Custom Color:" #~ msgstr "Warna Suai:" #~ msgid "Set custom colors for objects" #~ msgstr "Tetapkan warna suai untuk objek" #~ msgid "Color by Distance" #~ msgstr "Warna mengikut Jarak" #~ msgid "Color by distance from the first atom." #~ msgstr "Warna mengikut jarak dari atom pertama." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Warna mengikut Unsur (karbon = kelabu, oksigen = merah, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Warna mengikut sisa (jenis asid amino, kebolehtelapanair, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "Corak SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Warna Sorot:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Warna mengikut Corak SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Sorot fitur tertentu yang sepadan dengan corak SMARTS." #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoktium" #~ msgid "Engines" #~ msgstr "Enjin" #~ msgid "Axes" #~ msgstr "Paksi" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Terap paksi x, y, dan z pada asalan" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Terap primitif menggunakan Bola (atom) dan batang (ikatan)" #~ msgid "Dipole" #~ msgstr "Dwikutub" #~ msgid "Hydrogen Bond" #~ msgstr "Ikatan Hidrogen" #~ msgid "Renders hydrogen bonds" #~ msgstr "Terap ikatan hidrogen" #~ msgid "Select Atom Labels Color" #~ msgstr "Pilih Warna Label Atom" #~ msgid "Select Bond Labels Color" #~ msgstr "Pilih Warna Label Ikatan" #~ msgid "Select Bond Labels Font" #~ msgstr "Pilih Fon Label Ikatan" #~ msgid "Polygon" #~ msgstr "Poligon" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Teram atom sebagai tetrahedra, octahedra, dan lain-lain poligon" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Terap tulang belakang protien sebagai reben" #~ msgid "Ring" #~ msgstr "Gelang" #~ msgid "Renders rings with colored planes" #~ msgstr "Terap gelang dengan satah berwarna" #~ msgid "Simple Wireframe" #~ msgstr "Kerangka Wayar Ringkas" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "" #~ "Terap ikatan sebagai wayar (garis), sesuai untuk molekul bersaiz besar" #~ msgid "Van der Waals Spheres" #~ msgstr "Sfera Van der Waals" #~ msgid "Stick" #~ msgstr "Batang" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Ketumpatan elektron, permukaan-iso = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, permukaan-iso = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Terap ikatan sebagai wayar (garis), sesuai untuk bio-molekul bersaiz " #~ "sangat besar" #~ msgid "Trajectory files" #~ msgstr "Fail trajektori" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Fail SEJARAH DL-POLY" #~ msgid "Open Trajectory File" #~ msgstr "Buka Fail Trajektori" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Menambah sambungan .avi" #~ msgid "Animation..." #~ msgstr "Animasi..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Gagal membaca format fail dari fail %1" #~ msgid "Read trajectory file %1 failed." #~ msgstr "Baca fail trajektori %1 gagal." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Mesti nyatakan nama fail .avi yang sah" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "Widget GL tidak diawalkan dengan betul semasa menyimpan video" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "Nama fail video tidak sah. Mesti sertakan laluan direktori penuh" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Nama fail video tidak sah. Mesti sertakan nama dan laluan direktori " #~ "penuh, berakhir dengan .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Tidak dapat tentukan format dari nama fail: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animasikan trajektori, tindakbalas, dan getaran." #~ msgid "Cartesian Editor" #~ msgstr "Penyunting Cartes" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Tiada sel unit ditakrif untuk molekul -- tidak dapat guna koordinat " #~ "pecahan." #~ msgid "Cartesian Editor..." #~ msgstr "Penyunting Cartes..." #~ msgid "Cartesian editor" #~ msgstr "Penyunting Cartes" #~ msgid "Number of atoms: %1" #~ msgstr "Bilangan atom: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Bilangan ikatan boleh putar: %1" #~ msgid "Add constraint" #~ msgstr "Tambah kekangan" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Molekul anda mesti mengandungi sekurang-kurangnya satu atom untuk " #~ "menambah kekangan ikatan" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Molekul anda mesti mengandungi sekurang-kurangnya dua atom untuk menambah " #~ "kekangan ikatan" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Molekul anda mesti mengandungi sekurang-kurangnya tiga atom untuk " #~ "menambah kekangan sudut" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Molekul anda mesti mengandungi sekurang-kurangnya empat atom untuk " #~ "menambah kekangan kilas" #~ msgid "&Crystallography" #~ msgstr "&Kristalografi" #~ msgid "&Reduce" #~ msgstr "&Kurangkan" #~ msgid "&Length Unit" #~ msgstr "Unit &Panjang" #~ msgid "&Angle Unit" #~ msgstr "Unit &Sudut" #~ msgid "&Coordinate Display" #~ msgstr "Paparan K&oordinat" #~ msgid "Coordinate &Preservation" #~ msgstr "Pengekalan Koor&dinat" #~ msgid "&Matrix Display" #~ msgstr "Paparan &Matriks" #~ msgid "Hide &Editors" #~ msgstr "Sembunyi P&enyunting" #~ msgid "Show &Editors" #~ msgstr "Papar P&enyunting" #~ msgid "Hide &Property Display" #~ msgstr "Sembunyi Paparan S&ifat" #~ msgid "Show &Property Display" #~ msgstr "Papar Paparan S&ifat" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Jenis Kekisi: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Kumpulan Ruang: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Volum sel unit: %L1%2" #~ msgid "Undefined" #~ msgstr "Tidak Ditakrif" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triklinik" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoklinik" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ortorombus" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragon" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Heksagon" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Kiub" #~ msgid "Paste Crystal" #~ msgstr "Hablur Tampal" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "pengurangan-Niggli gagal. Kekisi struktur input yang mengelirukan " #~ "algoritma pengurang-Niggli. Cuba hasilkan usikan kecil (anggaran 2 tetib " #~ "leboh kecil magnitud berbanding toleransi kepada kekisi input dan cuba " #~ "lagi." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Gagal kurangkan sel selepasa 1000 iterasi algortima pengurangan. " #~ "Dihentikan." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Putar Ke &Orientasi Piawai" #~ msgid "&Slab..." #~ msgstr "&Papak..." #~ msgid "Perceive Space&group..." #~ msgstr "Rasai Kumpulan &Ruang..." #~ msgid "Set &Spacegroup..." #~ msgstr "Tetapkan K&umpulan Ruang..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Isi Sel Unit" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Isi sel unit menggunakan kumpulan ruang semasa." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "S&imetrikan Hablur" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Kurangkan Sel (&Primitif)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometer" #~ msgid "&Picometer" #~ msgstr "&Pikometer" #~ msgid "&Degree" #~ msgstr "&Darjah" #~ msgid "&Radian" #~ msgstr "&Radian" #~ msgid "Display &cartesian coordinates" #~ msgstr "Papar koordinat &cartes" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Kekalkan" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Kekalkan Koordinat &Pecahan Semasa Pengubahsuaian Sel" #~ msgid "Display &cartesian matrix" #~ msgstr "Papar matriks &cartes" #~ msgid "Display &fractional matrix" #~ msgstr "Papar matrik pe&cahan" #~ msgid "Display as &column vectors" #~ msgstr "Papar vektor &lajur" #~ msgid "&Crystal View Options..." #~ msgstr "Pilihan Paparan &Hablur..." #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Tiada kumpulan ruang yang ditetapkan untuk dokumen ini.\n" #~ "\n" #~ "Anda hendak tetapkan kumpulan ruang sekarang?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Kumpulan ruang P1 dikesan -- tidak dapat simetrikan ke kumpulan ruang " #~ "ini.\n" #~ "\n" #~ "Anda hendak cuba lagi dengan toleransi yang berbeza?" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Lilit Atom Ke Sel" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Kurangkan ke Sel Niggli" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Pilih toleransi dalam unit cartes semasa:" #~ msgid "Crystallography" #~ msgstr "Kristalografi" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Bina dan analisis struktur berkala." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "Input tidak diformat sebagai salah\n" #~ "satu daripada formata tersokong berikut:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "Format VASP\n" #~ msgid "Bad Compostion" #~ msgstr "Komposisi Teruk" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "Medan identiti mesti mengandungi jumlah ruang masukan bebas had yang sama " #~ "sebagai baris 6 POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Koordinat Cartes" #~ msgid "Fractional Coordinates" #~ msgstr "Koordinat Pecahan" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Matrik Sel (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Tetapkan Matriks Sel Unit" #~ msgid "Set Unit Cell Params" #~ msgstr "Tetapkan Param Sel Unit" #~ msgid "Working..." #~ msgstr "Bekerja..." #~ msgid "Build" #~ msgstr "Binaan" #~ msgid "Cut Slab From Crystal" #~ msgstr "Potong Papak Dari Hablur" #~ msgid "No GLWidget?" #~ msgstr "Tiada GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Sila pilih satu atau lebih atom." #~ msgid "Trajectory..." #~ msgstr "Trajektori..." #~ msgid "Open chemical file format" #~ msgstr "Buka format fail kimia" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Fail kimia (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Buka fail parameter" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Fail kimia (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Import Trajektori" #~ msgid "Import trajectory files" #~ msgstr "Import fail trejektori" #~ msgid "Calculate Energy" #~ msgstr "Kira Tenaga" #~ msgid "Conformer Search..." #~ msgstr "Gelintar Konformer..." #~ msgid "Constraints..." #~ msgstr "Kekangan..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Tidak dapat tetapkan medan daya terpilih semasa untuk molekul ini. " #~ "Menukar ke UFF." #~ msgid "Geometric Optimization" #~ msgstr "Pengoptimuman Geometri" #~ msgid "Systematic Rotor Search" #~ msgstr "Gelintar Rotor Sistematik" #~ msgid "Random Rotor Search" #~ msgstr "Gelintar Rotor Rawak" #~ msgid "Weighted Rotor Search" #~ msgstr "Gelintar Rotor Berpemberat" #~ msgid "Genetic Algorithm Search" #~ msgstr "Gelintar Algoritma Genetik" #~ msgid "ForceField" #~ msgstr "Medan Daya" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimumkan molekul dan jana konformer menggunakan medan daya mekanik " #~ "molekul" #~ msgid "&Vector Graphics..." #~ msgstr "Grafik &Vektor..." #~ msgid "Common vector image formats" #~ msgstr "Format imej vektor umum" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Grafik Vektor dieksport" #~ msgid "Change H to Methyl" #~ msgstr "Ubah H kepada Metil" #~ msgid "H to Methyl" #~ msgstr "H kepada Metil" #~ msgid "H2Methyl" #~ msgstr "HKeMetil" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Ubah hidrogen kepada kumpulan metil" #~ msgid "Add or remove hydrogens" #~ msgstr "Tambah atau buang hidrogen" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Sisip rantaian DNA/RNA" #~ msgid "Peptide..." #~ msgstr "Peptid..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Sisip jujukan oligopeptid" #~ msgid "Invert Chirality" #~ msgstr "Kekiralan Sonsang" #~ msgid "InvertChiral" #~ msgstr "Kekiralan Songsang" #~ msgid "Invert chiral centers" #~ msgstr "Pusat kekiralan songsang" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "tidak diketahui" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Momen Dwipolar Anggaran (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Papar sifat molekul piawai" #~ msgid "Fetch by chemical name..." #~ msgstr "Dapatkan mengikut nama kimia..." #~ msgid "Fetch from URL..." #~ msgstr "Peroleh dari URL..." #~ msgid "PDB Entry" #~ msgstr "Masukan PDB" #~ msgid "PDB entry to download." #~ msgstr "Masukan PDB untuk dimuat turun." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL molekul untuk dimuat turun." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Molekul yang dinyatakan tidak dimuatkan: %1" #~ msgid "Network Fetch" #~ msgstr "Rangkaian Diperoleh" #~ msgid "Fetch molecule files over the network." #~ msgstr "Peroleh fail molekul melalui rangkaian." #~ msgid "OrcaExtension Warning" #~ msgstr "Amaran Sambungan Orca" #~ msgid "OrcaExtension" #~ msgstr "Sambungan Orca" #~ msgid " No vibration data found!" #~ msgstr " Tiada data getaran ditemui!" #~ msgid " No vibration data found or molecule changed outside Orca Plugin!" #~ msgstr "" #~ " Tiada data getaran ditemui atau molekul berubah diluar Pemalam Orca!" #~ msgid "Selected displacement data don't fit to the actual molecule!" #~ msgstr "Data sesaran terpilih tidak muat pada molekul yang sebenar!" #~ msgid "extended Geometry File" #~ msgstr "Fail Geometri lanjutan" #~ msgid "Read Orca Outputfile" #~ msgstr "Baca Fail Output Orca" #~ msgid "no file found" #~ msgstr "tiada fail ditemui" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Ada masalah berlaku dalam struktur fail" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "Ada masalah berlaku dalam struktur fail - sel unit" #~ msgid "Something is wrong in the IR output! " #~ msgstr "Ada masalah berlaku dalam output IR! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "Ada masalah berlaku dalam output raman! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "Ada masalah berlaku dalam output tenaga orbital! " #~ msgid "No geometry found in file!" #~ msgstr "Tiada geometri ditemui dalam fail!" #~ msgid "Could not read file!" #~ msgstr "Tidak dapat baca fail!" #~ msgid "Analyse Orca Output..." #~ msgstr "Analisis Output Orca..." #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "Orca Test Example" #~ msgstr "Contoh Ujian Orca" #~ msgid "Show Preview" #~ msgstr "Papar Pratonton" #~ msgid "Hide Preview" #~ msgstr "Sembunyi Pratonton" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Simpan imej terterap Sinar-POV" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Fail imej (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "Sinar-POV..." #~ msgid "No valid filename was supplied." #~ msgstr "Tiada nama fail dibekal." #~ msgid "Does not compute." #~ msgstr "Tidak dikira." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Anda dipinta untuk penerapan langsung menggunakan Sinar-POV dan jangan " #~ "kekalkan fail Sinar-POV. Ia akan menyebabkan tiada output disimpan. Anda " #~ "pasti hendakkannya?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Tidak dapat tulis ke fail %1. Anda mempunyai keizinan untuk tulis ke " #~ "lokasi tersebut?" #~ msgid "POV-Ray failed to start." #~ msgstr "Sinar-POV gagal dimulakan." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "Sinar-POV gagal dimulakan. Mungkin laluan ke boleh laku tidak ditetapkan " #~ "dengan baik." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Cipta fail Sinar-POV dan terap ia menggunakan progra Sinar-POV berbaris " #~ "perintah." #~ msgid "Conformer Properties..." #~ msgstr "Sifat Konformer..." #~ msgid "Python Terminal" #~ msgstr "Terminal Python" #~ msgid "pythonTerminalDock" #~ msgstr "Dok Terminal python" #~ msgid "Interactive python scripting terminal" #~ msgstr "Terminal penskripan python interaktif" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Amaran Penjana Dek Input Abinit" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Anda hendak kemaskini teks pratonotn, tetapi hilang semua perubahan yang " #~ "dibuat dalam anak tetingkap pratonton dek input Abinit?" #~ msgid "Abinit_Input_Deck" #~ msgstr "Dek_Input_Abinit" #~ msgid "Abinit Running." #~ msgstr "Abinit Berjalan." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Abinit sudah berjalan. Sila tunggu sehingga pengiraan terdahulu selesai." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit Tidak Dipasang." #~ msgid "The abinit executable cannot be found." #~ msgstr "Boleh laku abinit tidak ditemui." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudo (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "abinit tidak dimulakan. Mungkin ia tidak dipasang dengan baik." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit tidak dijalankan dengab baik. Mungkin ia tidak dipasang dengan " #~ "baik." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Amaran Penjana Fail Input Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Anda hendak kemaskini teks pratonton, tetapi hilang semua perubahan yang " #~ "dibuat dalam anak tetingkap pratonton fail input Dalton?" #~ msgid "QM Matches" #~ msgstr "Padanan QM" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Pemilihan EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Pemilihan QM..." #~ msgid "Delete" #~ msgstr "Padam" #~ msgid "You must make a selection!" #~ msgstr "Anda mesti buat pemilihan!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Penukaran SMILES Tidak Tersedia" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Penukaran Format SMILES Tidak Tersedia!" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Cipta fail input untuk pakej kimia kuantum GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Tetapan Lanjutan Berubah" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Tetapan lanjutan telah berubah.\n" #~ "Singkirkan?" #~ msgid "Advanced Settings Reset" #~ msgstr "Tetap Semula Tetapan Lanjutan" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Anda pasti hendak menetap semula tetapan lanjutan?\n" #~ "Semua perubahan akan hilang!" #~ msgid "Basic Settings Reset" #~ msgstr "Tetap Semula Tetapan Asas" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Anda pasti hendak menetap semula tetapan asas?\n" #~ "Semua perubahan akan hilang!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Amaran Penjana Dek Input GAMESS-UK" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Anda hendak kemaskini teks pratonton, tetapi hilang semua perubahan yang " #~ "dibuat dalam anak tetingkap pratonton fail input GAMESS-UK?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Dek Input GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Amaran Penjana Dek Input Gaussian" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Anda hendak kemaskinikan teks pratonton, akan hilang semua perubahan yang " #~ "dibuat dalam anak tetingkap pratonton dek input Gaussian?" #~ msgid "Gaussian Input Deck" #~ msgstr "Dek Input Gaussian" #~ msgid "Gaussian Running." #~ msgstr "Gaussian Berjalan." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian sudah dijalankan. Tunggu sehingga pengiraan terdahulu selesai." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian Tidak Dipasang." #~ msgid "The G03 executable, cannot be found." #~ msgstr "Boleh laku G03 tidak ditemui." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 tidak dimulakan. Mungkin ia tidak dipasang dengan betul." #~ msgid "Running Gaussian calculation..." #~ msgstr "Menjalankan pengiraan Gaussian..." #~ msgid "G03 Crashed." #~ msgstr "G03 Mengalami Kerosakan." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian tidak dijalankan dengan betul. Mungkin ia tidak dipasang dengan " #~ "betul." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "Amaran Penjana Dek Input Lammps" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Amaran Penjana Dek Input Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Anda hendak kemaskini teks pratonton, tetapi hilang semua perubahan yang " #~ "dibuat dalam anak tetingkap pratonton fail input Molpro?" #~ msgid "Molpro Input Deck" #~ msgstr "Dek Input Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Amaran Input MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Dek Input MOPAC" #~ msgid "MOPAC Running." #~ msgstr "MOPAC Dijalankan." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC sudah berjalan. Tunggu sehingga pengiraan terdahulu selesai." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC Tidak Dipasang." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Boleh laku MOPAC tidak ditemui." #~ msgid "MOPAC failed to start." #~ msgstr "MOPAC gagal dimulakan." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC tidak bermula. Mungkin ia tidak dipasang dengan baik." #~ msgid "Running MOPAC calculation..." #~ msgstr "Menjalankan pengiraan MOPAC..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC Mengalami Kerosakan." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC tidak berjalan dengan baik. Mungkin ia tidak dipasang dengan baik." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Amaran Penjana Dek Input NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Anda hendak kemaskini teks pratonton, tetapi hilang semua perubahan " #~ "dibuat dalam anak tetingkap pratonton dek input NWChem?" #~ msgid "NWChem Input Deck" #~ msgstr "Dek Input NWChem" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Amaran Penjana Dek Input Psi4" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Anda hendak kemaskini teks pratonton, akan hilang semua perubahan dibuat " #~ "dalam anak tetingkap pratonton dek input Psi4?" #~ msgid "Psi4 Input Deck" #~ msgstr "Dek Input Psi4" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Amaran Penjana Dek Input Q-Chem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Anda hendak kemaskini teks pratonton, tetapi hilang semua perubahan " #~ "dibuat dalam anak tetingkap pratonton dek input Q-Chem?" #~ msgid "QChem Input Deck" #~ msgstr "Dek Input QChem" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "Amaran Penjana Dek Input TeraChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Anda hendak kemaskini teks pratonton, tetapi hilang semua perubahan yang " #~ "dibuat dalam anak tetingkap pratonton fail input TeraChem?" #~ msgid "TeraChem Input Deck" #~ msgstr "Dek Input TeraChem" #~ msgid "Select SMARTS..." #~ msgstr "Pilih SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Tambah Pemilihan Bernama..." #~ msgid "SMARTS Selection" #~ msgstr "Pemilihan SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Corak SMARTS untuk dipilih" #~ msgid "There is no current selection." #~ msgstr "Tiada pemilihan semasa" #~ msgid "Add Named Selection" #~ msgstr "Tambah Pemilihan Bernama" #~ msgid "Name cannot be empty." #~ msgstr "Nama tidak boleh kosong." #~ msgid "There is already a selection with this name." #~ msgstr "Sudah ada pemilihan dengan nama ini." #~ msgid "Selections" #~ msgstr "Pemilihan" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Pilih atom, ikatan, baki..." #~ msgid "GLSL Shaders..." #~ msgstr "Pelorek GLSL..." #~ msgid "Open a vertex shader source file" #~ msgstr "Buka fail sumber pelorek puncak" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Fail pelorek puncak (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Buka fail sumber pelorek cebisan" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fail pelorek cebisan (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Buka fail parameter pelorek" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Fail parameter pelorek (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "Pelorek GLSL" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Muat dan guna pelorek GLSL OpenGL 2.0" #~ msgid "Intensity (arb. units)" #~ msgstr "Keamatan (unit arb.)" #~ msgid "Density of States (states/cell)" #~ msgstr "Ketumpatan Keadaan (keadaan/sel)" #~ msgid "Density of States (states/atom)" #~ msgstr "Ketumpatan Keadaan (keadaan/atom)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Ketumpatan Keadaan (keadaan/elektron valens)" #~ msgid "Transmittance (%)" #~ msgstr "Kehantaran (%)" #~ msgid "Absorbance (%)" #~ msgstr "Keserapan (%)" #~ msgid "No intensities" #~ msgstr "Tiada keamatan" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Data getaran dalam molekul yang anda muatkan tidak mempunyai data " #~ "keamatan. Keamatan telah ditetapkan kepada nilai arbitari untuk " #~ "pengvisualan." #~ msgid "Activity" #~ msgstr "Aktiviti" #~ msgid "X Axis" #~ msgstr "Paksi X" #~ msgid "Y Axis" #~ msgstr "Paksi Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Tetapan Spektrum Ter&infra Merah" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "Tetapan Spektrum &NMR" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "&UV Settings" #~ msgstr "Tetapan &UV" #~ msgid "&CD Settings" #~ msgstr "Tetapan &CD" #~ msgid "&Raman Settings" #~ msgstr "Tetapan &Raman" #~ msgid "No data" #~ msgstr "Tiada data" #~ msgid "Dark" #~ msgstr "Gelap" #~ msgid "Publication" #~ msgstr "Penerbitan" #~ msgid "Handdrawn" #~ msgstr "Lukis Tangan" #~ msgid "New Scheme" #~ msgstr "Skema Baru" #~ msgid "Confirm Scheme Removal" #~ msgstr "Sahkan Pembuangan Skema" #~ msgid "Really remove current scheme?" #~ msgstr "Pasti hendak buang skema semasa?" #~ msgid "Change Scheme Name" #~ msgstr "Ubah Nama Skema" #~ msgid "Enter new name for current scheme:" #~ msgstr "Masukkan nama baru bagi skema semasa:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Nilai Dipisah Tab (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Nilai Dipisah Tab" #~ msgid "Comma Separated Values" #~ msgstr "Nilai Dipisah Koma" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Spektrum Diimport" #~ msgid "Unknown extension: %1" #~ msgstr "Sambungan tidak diketahui: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "Data IR PWscf (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Data IR Turbomole (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Data UV Turbomole (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Data CD Turbomole (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Format Data" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format:" #~ msgid "Load Spectral Data" #~ msgstr "Muat Data Spektrum" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "CD Turbomole tidak diformat dengan baik: %1" #~ msgid "Portable Network Graphics" #~ msgstr "Grafik Rangkaian Mudahalih" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Format Fail Imej Bertag" #~ msgid "Windows Bitmap" #~ msgstr "Peta Bit Wimdows" #~ msgid "Portable Pixmap" #~ msgstr "Peta Pix Mudahalih" #~ msgid "X11 Bitmap" #~ msgstr "Peta Bit X11" #~ msgid "X11 Pixmap" #~ msgstr "Peta Pix X11" #~ msgid "Save Spectra Image" #~ msgstr "Simpan Imej Spektrum" #~ msgid "Image successfully written to %1" #~ msgstr "Imej berjaya ditulis ke %1" #~ msgid "&Advanced <<" #~ msgstr "&Lanjut <<" #~ msgid "&Advanced >>" #~ msgstr "&Lanjut >>" #~ msgid "&Spectra..." #~ msgstr "&Spektrum..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Visualkan data spektrum dari pengiraan kimia kuantum" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Analisis Getaran" #~ msgid "No vibrational displacements exist." #~ msgstr "Tiada sesaran getaran wujud." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Visualkan mod getaran dari pengiraan kimia kuantum" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Mengisih %1 getaran melalui frekuensi..." #~ msgid "Pause" #~ msgstr "Jeda" #~ msgid "Super Cell Builder..." #~ msgstr "Pembina Sel Super..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Dokumen ini kini merupakan molekul terasing. Anda perlu cipta satu unit " #~ "sel." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Bina dan papar sel super kristalografi" #~ msgid "Molecular Orbitals..." #~ msgstr "Petala Molekul..." #~ msgid "Orbitals" #~ msgstr "Petala" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Tiada apa" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Ketumpatan Elektron" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Ralat - jenis tidak ditakrif" #~ msgid "Calculating VdW Cube" #~ msgstr "Mengira Kiub VdW" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Mengira MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "Permukaan keupayaan elektrostatik belum lagi disokong." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Kira orbital molekul dan lain-lain permukaan" #~ msgid "&Nanotube Builder..." #~ msgstr "Pembina Tiub &Nano..." #~ msgid "Nanotube Builder" #~ msgstr "Pembina Tiub Nano" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Spesifikasi Tiub Nano Tidak Sah" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "Tiub nano yang dipinta tidak dapat dibina kerana sebab berikut:\n" #~ "\n" #~ "Sama ada n atau m mesti lebih besar daripada 1." #~ msgid "Insert Nanotube" #~ msgstr "Sisip Tiub Nano" #~ msgid "SWCNT Builder" #~ msgstr "Pembina SWCNT" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Bina tiub nano karbon dinding tunggal." #~ msgid "Building..." #~ msgstr "Membina..." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "Widget GL tidak diawalkan dengan baik untuk menghasilkan video" #~ msgid "GL widget has no molecule" #~ msgstr "Widget GL tidak mempunyai molekul" #~ msgid "Building video " #~ msgstr "Membina video " #~ msgid "Could not run mencoder." #~ msgstr "Tidak dapat jalankan mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Tetapkan Nisbah Bidang" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Adegan Avogadro semasa adalah sebesar %1x%2, maka ia mempunyai nisbah " #~ "bidang %3.\n" #~ "Anda boleh kekalkan nilai ini, contohnya jika anda berniat menggunakan " #~ "POV-Ray\n" #~ "untuk menghasilkan imej bersaiz %4x1000 piksel, atau anda boleh masukkan " #~ "nilai positif\n" #~ "yang lain, contohnya 2 jika anda berniat menggunakan POV-Ray untuk " #~ "hasilkan imej petak,\n" #~ "bersaiz 1000x1000 piksel." #~ msgid "Connect" #~ msgstr "Sambung" #~ msgid "Disconnect" #~ msgstr "Putuskan" #~ msgid "&WiiTrack" #~ msgstr "Jejak &Wii" #~ msgid "Wii Tracking" #~ msgstr "Penjejakan Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Jejak gerakan menggunakan Wii remote" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Konteks OpenGL tidak sah.\n" #~ "Samada ada sesuatu yang rosak semasa pemasangan OpenGL anda (bolehkah " #~ "anda menjalankan mana-mana aplikasi OpenGL?), atau anda temui pepijat." #~ msgid "Debug Information" #~ msgstr "Maklumat Nyah Pepijat" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Saiz Pandangan: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "Baris Pandangan Model 1: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "Baris Pandangan Model 2: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "Baris Pandangan Model 3: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "Baris Pandangan Model 4: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Atom: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: indeks %1 diluar jangkauan." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Jenis fail '%1' tidak disokong untuk pembacaan." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Jenis fail bagi fail '%1' tidak disokong untuk pembacaan." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "" #~ "Membaca molekul dengan indeks %1 dari fail '%2' mengalami kegagalan." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "Ganti Molekul: indeks %1 diluar jangkauan." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Jenis fail '%1' tidak disokong untuk penulisan." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Jenis fail bagi fail '%1' tidak disokong untuk penulisan." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Tidak dapat buka fail '%1' untuk pembacaan." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "" #~ "Menggantikan molekul dengan indeks %1 dalam fail '%2' mengalami kegagalan." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Fail %1 tidak dapat dibuka untuk pembacaan." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Fail %1 tidak dapat dibuka untuk penulisan." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Menyimpan fail molekul mengalami kegagalan - tidak dapat namakan semula " #~ "fail asal." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Menyimpan fail molekul mengalami kegagalan - tidak dapat namakan semula " #~ "fail baru." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Menyimpan fail molekul mengalami kegagalan - tidak dapat namakan semula " #~ "fail lama." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Menulis molekul ke fail '%1' mengalami kegagalan. Fungsi OpenBabel gagal." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Fail %1 tidak dapat dibuka untuk penulisan." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Menulis konformer ke fail '%1' mengalami kegagalan." #~ msgid "Molecule %1" #~ msgstr "Molekul %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Enjin Python Tidak Diketahui" #~ msgid "N/A" #~ msgstr "T/A" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: memeriksa " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - skrip tiada kelas 'Engine' ditakrifkan" #~ msgid " - no module" #~ msgstr " - modul tiada" #~ msgid "Unknown Python Extension" #~ msgstr "Sambungan Python Tidak Diketahui" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: memeriksa " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - skrip tiada kelas 'Extension' ditakrifkan" #~ msgid "Unknown Python Tool" #~ msgstr "Alat Python Tidak Diketahui" #~ msgid "PythonTool: checking " #~ msgstr "Alat Pyhton: memeriksa " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - skrip tiada kelas 'Tool' ditakrifkan" #~ msgid "Conformer %1" #~ msgstr "Konformer %1" #~ msgid "Tools" #~ msgstr "Alatan" #~ msgid "Align:" #~ msgstr "Jajar:" #~ msgid "Everything" #~ msgstr "Kesemuanya" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Alat Pengoptimuman Automatik\n" #~ "\n" #~ "Fungsi Navigasi bila mengklik dalam ruang kosong.\n" #~ "Butang Kiri Tetikus: \tPutar Ruang\n" #~ "Butang Tengah Tetikus: Zum Ruang\n" #~ "Butang Kanan Tetikus: \tGerak Ruang\n" #~ "Dwi-Klik: \t Tetap Semula Pandangan\n" #~ "\n" #~ "Bila berjalan:\n" #~ "Butang Kiri Tetikus: \tKlik dan seret atom untuk gerakkannya." #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Tidak dapat sediakan medan daya..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Bil Kekangan: %1" #~ msgid "Steps per Update:" #~ msgstr "Langah per Kemaskini:" #~ msgid "Algorithm:" #~ msgstr "Algoritma:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Dinamik Molekul (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dinamik Molekul (900K)" #~ msgid "Start" #~ msgstr "Mula" #~ msgid "Fixed atoms are movable" #~ msgstr "Atom tetap boleh dialih" #~ msgid "Ignored atoms are movable" #~ msgstr "Atom diabaikan boleh dialih" #~ msgid "AutoOpt Molecule" #~ msgstr "Molekul autoOpt" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Pengoptimuman automatik bagi geometri molekul" #~ msgid "AutoOptimization Settings" #~ msgstr "Tetapan Pengoptimuman Automatik" #~ msgid "Auto Rotation Tool" #~ msgstr "Alat Putaran Automatik" #~ msgid "x rotation:" #~ msgstr "putaran x:" #~ msgid "x rotation" #~ msgstr "putaran x" #~ msgid "y rotation:" #~ msgstr "putaran y:" #~ msgid "y rotation" #~ msgstr "putaran y" #~ msgid "z rotation:" #~ msgstr "putaran z:" #~ msgid "z rotation" #~ msgstr "putaran z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Putaran automatik molekul" #~ msgid "AutoRotate Settings" #~ msgstr "Tetapan Putar Sendiri" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Panjang Ikatan: %L1" #~ msgid " Show Angles" #~ msgstr " Papar Sudut" #~ msgid "Snap-to Threshold: " #~ msgstr "Lekat-ke Ambang: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Manipulasi Di Pusat Ikatan" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulasi bagi panjang, sudut, dan kilasan" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Tetapan Manipulasi Di Pusat Ikatan" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Jarak (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Jarak (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Sudut Dwihedron: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Jarak:" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Ukur panjang, sudut, dan dwihedron ikatan" #~ msgid "Draw Bond" #~ msgstr "Lukis Ikatan" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Lukis dan sunting atom dan ikatan" #~ msgid "Draw Settings" #~ msgstr "Tetapan Lukis" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Terjemah, putar, dan laras atom dan cebisan" #~ msgid "Manipulate Settings" #~ msgstr "Tetapan Manipulasi" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Terjemah, putar, dan zum disekitar pandangan semasa" #~ msgid "Navigate Settings" #~ msgstr "Tetapan Navigasi" #~ msgid "Selection Mode:" #~ msgstr "Mod Pemilihan:" #~ msgid "Atom/Bond" #~ msgstr "Atom/Ikatan" #~ msgid "Residue" #~ msgstr "Baki" #~ msgid "Add Center of Atoms" #~ msgstr "Tambah Pusat Atom" #~ msgid "Change color of the atom" #~ msgstr "Ubah warna atom" #~ msgid "Change label of the atom" #~ msgstr "Ubah label atom" #~ msgid "Change label of the bond" #~ msgstr "Ubah label ikatan" #~ msgid "Change radius of the atom" #~ msgstr "Ubah jejari atom" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Jejari Baru, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Pilih atom, baki, dan molekul" #~ msgid "Symbol" #~ msgstr "Simbol" #~ msgid "Bond Length" #~ msgstr "Panjang Ikatan" #~ msgid "Dihedral Angle" #~ msgstr "Sudut Dwihedron" #~ msgid "Z Matrix Editor..." #~ msgstr "Penyunting Matriks Z..." #~ msgid "Z-Matrix" #~ msgstr "Matriks-Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Cipta/sunting matriks-z" #~ msgid "Z-Matrix Settings" #~ msgstr "Tetapan Matriks-Z" #~ msgid "Color residues by:" #~ msgstr "Baki warna mengikut:" #~ msgid "Hydrophobicity" #~ msgstr "Kehidrofobiaan" #~ msgid "Axes:" #~ msgstr "Paksi:" #~ msgid "Cartesian Axes" #~ msgstr "Paksi Cartes" #~ msgid "Orthogonal Axes" #~ msgstr "Paksi Ortogon" #~ msgid "Axis 1:" #~ msgstr "Paksi 1:" #~ msgid "Axis 2:" #~ msgstr "Paksi 2:" #~ msgid "Axis 3:" #~ msgstr "Paksi 3:" #~ msgid "Origin:" #~ msgstr "Asalan:" #~ msgid "Norm" #~ msgstr "Norma" #~ msgid "Preserve vector norms" #~ msgstr "Kekalkan norma vektor" #~ msgid "Atom Radius:" #~ msgstr "Jejari Atom:" #~ msgid "Bond Radius:" #~ msgstr "Jejari Ikatan:" #~ msgid "Shape" #~ msgstr "Bentuk" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Gelung" #~ msgid "Dipole:" #~ msgstr "Dwikutub:" #~ msgid "Custom Vector" #~ msgstr "Vektor Suai" #~ msgid "Custom:" #~ msgstr "Suai:" #~ msgid "Cut-off radius:" #~ msgstr "Jejari terpenggal:" #~ msgid "Cut-off angle:" #~ msgstr "Sudut terpenggal:" #~ msgid "Rendering Engine:" #~ msgstr "Enjin Penerapan:" #~ msgid "TextRenderer" #~ msgstr "Penerap Teks" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Teks:" #~ msgid "Symbol & Number in Group" #~ msgstr "Simbol & Nombor dalam Kumpulan" #~ msgid "Symbol & Atom number" #~ msgstr "Simbol & Nombor Atom" #~ msgid "Partial charge" #~ msgstr "Cas separa" #~ msgid "Residue number" #~ msgstr "Nombor baki" #~ msgid "Custom data" #~ msgstr "Data suai" #~ msgid "Change Font" #~ msgstr "Ubah Fon" #~ msgid "x : " #~ msgstr "x: " #~ msgid "y : " #~ msgstr "y: " #~ msgid "z : " #~ msgstr "z: " #~ msgid "Label Shift:" #~ msgstr "Shift Label:" #~ msgid "Bond length" #~ msgstr "Panjang ikatan" #~ msgid "Bond number" #~ msgstr "Nombor Ikatan" #~ msgid "Bond order" #~ msgstr "Tertib ikatan" #~ msgid "Lines" #~ msgstr "Baris" #~ msgid "Radius:" #~ msgstr "Jejari:" #~ msgid "Include Nitrogens" #~ msgstr "Sertakan Nitrogen" #~ msgid "VdW Opacity:" #~ msgstr "Kelegapan VdW:" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Render:" #~ msgstr "Terap:" #~ msgid "Fill" #~ msgstr "Isian" #~ msgid "Points" #~ msgstr "Titik" #~ msgid "Draw Box:" #~ msgstr "Kotak Lukis:" #~ msgid "Style:" #~ msgstr "Gaya:" #~ msgid "Mapped Colors" #~ msgstr "Warna Terpeta" #~ msgid "Positive" #~ msgstr "Positif" #~ msgid "Negative" #~ msgstr "Negatif" #~ msgid "Show Atoms" #~ msgstr "Tunjukkan Atom" #~ msgid "Animate Trajectory" #~ msgstr "Animasikan Trajektori" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Gelung" #~ msgid "Save as .avi..." #~ msgstr "Simpan sebagai .avi..." #~ msgid "Angstroms" #~ msgstr "Angstrom" #~ msgid "Bohrs" #~ msgstr "Bohr" #~ msgid "Fractional" #~ msgstr "Pecahan" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, koordinat sahaja" #~ msgid "GAMESS Input #2" #~ msgstr "Input GAMESS #2" #~ msgid "Priroda Input" #~ msgstr "Input Priroda" #~ msgid "Apply Changes" #~ msgstr "Laksana Perubahan" #~ msgid "Cut All" #~ msgstr "Potong Semua" #~ msgid "Paste to the End" #~ msgstr "Tampal ke Penghujung" #~ msgid "" #~ "\n" #~ "\n" #~ "

      Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

      " #~ msgstr "" #~ "\n" #~ "\n" #~ "

      Tampal atau sunting " #~ "koordinat atom disini. Anda boleh tampal hampir apa jua cebisan teks, " #~ "yang mengandungi koordinat

      " #~ msgid "(None)" #~ msgstr "(Tiada)" #~ msgid "Sort by " #~ msgstr "Isi mengikut " #~ msgid "Number of atoms:" #~ msgstr "Bilangan atom:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Bilangan ikatan boleh putar:" #~ msgid "Add Constraints" #~ msgstr "Tambah Kekangan" #~ msgid "Ignore Atom" #~ msgstr "Abai Atom" #~ msgid "Fix Atom" #~ msgstr "Baiki Atom" #~ msgid "Fix Atom X" #~ msgstr "Baiki Atom X" #~ msgid "Fix Atom Y" #~ msgstr "Baiki Atom Y" #~ msgid "Fix Atom Z" #~ msgstr "Baiki Atom Z" #~ msgid "Torsion angle" #~ msgstr "Sudut kilasan" #~ msgid "Add" #~ msgstr "Tambah" #~ msgid "Save" #~ msgstr "Simpan" #~ msgid "Load" #~ msgstr "Muat" #~ msgid "Atomic &identites:" #~ msgstr "&Identiti Atom" #~ msgid "Surface Slab Builder" #~ msgstr "Pembina Papak Permukaan" #~ msgid "Plane:" #~ msgstr "Satah:" #~ msgid "&Miller Indices:" #~ msgstr "Indeks &Miller:" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Amaran: Guna Indeks Miller bukan-sifar" #~ msgid "Width (x)" #~ msgstr "Lebar (x)" #~ msgid "Width (y)" #~ msgstr "Lebar (y)" #~ msgid "Height (z)" #~ msgstr "Tinggi (z)" #~ msgid "length" #~ msgstr "panjang" #~ msgid "cell repeats" #~ msgstr "ulang sel" #~ msgid "&Translate " #~ msgstr "&Terjemah " #~ msgid "by arbitrary vector" #~ msgstr "mengikut vektor arbitari" #~ msgid "selected atom to unit cell center" #~ msgstr "atom terpilih ke pusat sel unit" #~ msgid "Translation vector:" #~ msgstr "Vektor terjemahan:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "Unit &vektor:" #~ msgid "Cartesian" #~ msgstr "Cartes" #~ msgid "&Translate" #~ msgstr "&Terjemah" #~ msgid "Crystal View Options" #~ msgstr "Pilihan Pandangan Hablur" #~ msgid "Unit Cell Repeats:" #~ msgstr "Ulang Sel Unit:" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Lukis Sel Unit?" #~ msgid "One" #~ msgstr "Satu" #~ msgid "All" #~ msgstr "Semua" #~ msgid "Color..." #~ msgstr "Warna..." #~ msgid "View Along:" #~ msgstr "Papar Mengikut:" #~ msgid "Default View" #~ msgstr "Paparan Lalai" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Indeks Miller" #~ msgid "File Import..." #~ msgstr "Fail Import..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Cuba mengamati ikatan?" #~ msgid "Setup Force Field" #~ msgstr "Persediaan Medan Daya" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Bilangan langkah" #~ msgid "Algorithm" #~ msgstr "Algoritma" #~ msgid "Alanine" #~ msgstr "Alanina" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Arginina" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Asparagina" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "Asid Aspartik" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Sisteina" #~ msgid "Cys" #~ msgstr "Sis" #~ msgid "Glutamic acid" #~ msgstr "Asid Glutamik" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Glutamina" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Glisina" #~ msgid "Gly" #~ msgstr "Gli" #~ msgid "Histidine" #~ msgstr "Histidina" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "Isoleusina" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Valine" #~ msgstr "Valina" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyrosine" #~ msgstr "Tirosina" #~ msgid "Tyr" #~ msgstr "Tir" #~ msgid "Tryptophan" #~ msgstr "Triptofan" #~ msgid "Trp" #~ msgstr "Trip" #~ msgid "Threonine" #~ msgstr "Treonina" #~ msgid "Thr" #~ msgstr "Treo" #~ msgid "Serine" #~ msgstr "Serina" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Prolina" #~ msgid "Phenylalanine" #~ msgstr "Fenilalanina" #~ msgid "Phe" #~ msgstr "Fe" #~ msgid "Methionine" #~ msgstr "Metionina" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Lisina" #~ msgid "Lys" #~ msgstr "Lis" #~ msgid "Leucine" #~ msgstr "Leusina" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "Jujukan (N ke C):" #~ msgid "Stereochemistry:" #~ msgstr "Stereokimia:" #~ msgid "L" #~ msgstr "L" #~ msgid "N Terminus:" #~ msgstr "Hujung N:" #~ msgid "C Terminus:" #~ msgstr "Hujung C:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Straight Chain" #~ msgstr "Rantai Lurus" #~ msgid "Alpha Helix" #~ msgstr "Heliks Alfa" #~ msgid "Beta Sheet" #~ msgstr "Lembaran Beta" #~ msgid "Pi Helix" #~ msgstr "Heliks Pi" #~ msgid "Phi:" #~ msgstr "Fi:" #~ msgid "Psi:" #~ msgstr "Psi:" #~ msgid "Chain Number:" #~ msgstr "Bilangan Rantai:" #~ msgid "The chain number for the new peptide" #~ msgstr "Bilangan rantai untuk peptid baru" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Bilangan Baki:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Tenaga (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Momen Dwikutub (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Lanjutan" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "Grid" #~ msgstr "Grid" #~ msgid "POV-Ray Export" #~ msgstr "Eksport POV-Ray" #~ msgid "Select..." #~ msgstr "Pilih..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Guna antialias adegan penuh" #~ msgid "Antialias" #~ msgstr "Antialias" #~ msgid "Set the background color to be transparent" #~ msgstr "Tetapkan warna latar belakang kepada lutsinar" #~ msgid "Alpha transparency" #~ msgstr "Kelutsinaran alfa" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Terap molekul secara langsung menggunakan POV-Ray baris perintah" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Kekalkan sumber POV-Ray selepas penerapan selesai" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Kekalkan sumber POV-Ray selepas penerapan" #~ msgid "Path:" #~ msgstr "Laluan:" #~ msgid "Abinit Input" #~ msgstr "Input Abinit" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Cartes (Angstrom)" #~ msgid "Reduced" #~ msgstr "Terkurang" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Keratan Gelombang Satah (Ha):" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Toleransi terhadap daya(Ha/bohr):" #~ msgid "Max lattice expansion:" #~ msgstr "Pengembangan kekisi maksimum:" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "Anjak titik-k:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Bilangan jalur:" #~ msgid "# k-point shifts:" #~ msgstr "# anjak titik-k:" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "Keratan PW grid dubel (Ha):" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Skema kerjaan:" #~ msgid "Wave Function norm" #~ msgstr "Norma Fungsi Gelombang" #~ msgid "Total Potential" #~ msgstr "Jumlah Keupayaan" #~ msgid "Relative Force" #~ msgstr "Daya Relatif" #~ msgid "1 - semiconducting" #~ msgstr "1 - bersemikonduktor" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - Kabusisi Sejuk (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 - Kabusisi Gaussian" #~ msgid "Smearing width (Ha):" #~ msgstr "Lebar kabusisi (Ha):" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - tiada ion bergerak " #~ msgid "1 - viscous damping" #~ msgstr "1 - peredaman ganas" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS dengan tenaga" #~ msgid "# Geometrical time steps:" #~ msgstr "# Langkah masa geometri" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Pelicinan Tenaga Kinetik (Ha):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Kira..." #~ msgid "Dalton Input" #~ msgstr "Input Dalton" #~ msgid "Basics" #~ msgstr "Asas" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Tambah apa yang anda taip di dalam baris taju fail input untuk tujuan\n" #~ "maklumat anda sendiri." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Gaya-Pople" #~ msgid "Jensen's polarization consistent" #~ msgstr "Konsisten pengutuban Jensen" #~ msgid "Dunning's correlation consistent" #~ msgstr "Konsisten kolerasi Dunning" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Fungsi kolerasi teras" #~ msgid "Diffuse functions" #~ msgstr "Fungsi pembauran" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Terus" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Jalan dalam mod selari jika boleh. Ia hanya mungkin untuk fungsi\n" #~ "gelombang SCF dan pengiraan DFT. Dalton hanya menyokong MPI\n" #~ "dalam keluaran semasa dan mesti dikompil dan dipasang dengan betul.\n" #~ "Sebilangan nod ditetapkan menggunakan pilihan \"-N #' bila melakukan " #~ "skrip \"dalton\"." #~ msgid "Parallel" #~ msgstr "Selari" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Spesifikasi Grid" #~ msgid "Partitioning Scheme:" #~ msgstr "Skema Penyekatan:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (asal)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Kualiti Grid:" #~ msgid "coarse" #~ msgstr "kasar" #~ msgid "normal" #~ msgstr "biasa" #~ msgid "fine" #~ msgstr "halus" #~ msgid "ultrafine" #~ msgstr "sangat halus" #~ msgid "Radial Scheme:" #~ msgstr "Skemia Jejari:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Papar semua kefungsian" #~ msgid "Property:" #~ msgstr "Sifat:" #~ msgid "Polarizability" #~ msgstr "Kebolehkutuban" #~ msgid "Frequency Dependent" #~ msgstr "Kebergantungan Frekuensi" #~ msgid "No. excitations:" #~ msgstr "Tiada pengujaan:" #~ msgid "EFP Matches" #~ msgstr "Padanan EFP" #~ msgid "Group Label:" #~ msgstr "Label Kumpulan:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "Persediaan &Lanjutan" #~ msgid "Hessian" #~ msgstr "Hesian" #~ msgid "Stat Point" #~ msgstr "Titik Statistik" #~ msgid "System" #~ msgstr "Sistem" #~ msgid "MO Guess" #~ msgstr "Tekaan MO" #~ msgid "Misc" #~ msgstr "Pelbagai" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Fungsi Pengutuban Atom Berat:" #~ msgid "Read" #~ msgstr "Baca" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Baurkan Shell-S pada Atom Berat" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Baur Shell-L pada Atom Berat" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Valens Dwi Zeta" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Valens Tripel Zeta" #~ msgid "SBKJA Valence" #~ msgstr "Valens SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "Valens Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Jenis ECP:" #~ msgid "Default" #~ msgstr "Lalai" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Fungsi Pengutuban Atom Berat:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#light Fungsi Pengutuban Atom:" #~ msgid "Polar:" #~ msgstr "Kutub:" #~ msgid "Max SCF Iterations:" #~ msgstr "Iterasi SCF Maksimum:" #~ msgid "Gradient" #~ msgstr "Gradien" #~ msgid "Trudge" #~ msgstr "Susah Payah" #~ msgid "Saddle Point" #~ msgstr "Titik Tunggang" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Ekstrumum Gradien" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "mom. Peralihan Radiasi" #~ msgid "Spin Orbit" #~ msgstr "Orbit Putar" #~ msgid "Finite Electric Field" #~ msgstr "Medan Elektrik Terhingga" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Pengoptimuman Sejagat" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Pengoptimuman FMO" #~ msgid "Raman Intensities" #~ msgstr "Keamatan Raman" #~ msgid "Make EFP" #~ msgstr "Buat EFP" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Tiada (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Jenis SCF:" #~ msgid "Localization Method:" #~ msgstr "Kaedah Penyetempatan" #~ msgid "Exec Type:" #~ msgstr "Jenis Boleh Laku:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Penentu Mak. Ames" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Ruang Aktif Berbilang Penghunian Terhad" #~ msgid "CI Singles" #~ msgstr "Tunggal CI" #~ msgid "Full Second Order CI" #~ msgstr "CI Tertib Kedua Penuh" #~ msgid "General CI" #~ msgstr "CI Am" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: CC Terlinear" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC dengan Dubel" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC dengan Tunggal dan Dubel" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Jalan Biasa" #~ msgid "Check" #~ msgstr "Semak" #~ msgid "Debug" #~ msgstr "Nyahpepijat" #~ msgid "Molecule Charge:" #~ msgstr "Cas Molekul:" #~ msgid "Run Type:" #~ msgstr "Jenis Jalan:" #~ msgid "Use MP2" #~ msgstr "Guna MP2" #~ msgid "Use DFT" #~ msgstr "Guna DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# dari Pembolehubah Matriks-Z" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Tertib Paksi Prinsipal:" #~ msgid "Coordinate Type:" #~ msgstr "Jenis Koordinat:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Koord. cartes Unik" #~ msgid "Hilderbrant internals" #~ msgstr "Dalaman Hilderbrant" #~ msgid "MOPAC Z-Matrix" #~ msgstr "Matriks-Z MOPAC" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Guna Pengiraan Semasa Simetri" #~ msgid "Point Group:" #~ msgstr "Kumpulan Titik:" #~ msgid "Minutes" #~ msgstr "Minit" #~ msgid "Hours" #~ msgstr "Jam" #~ msgid "Days" #~ msgstr "Hari" #~ msgid "Weeks" #~ msgstr "Minggu" #~ msgid "Years" #~ msgstr "Tahun" #~ msgid "Millenia" #~ msgstr "Millenium" #~ msgid "MegaWords" #~ msgstr "MegaWords" #~ msgid "MegaBytes" #~ msgstr "MegaBait" #~ msgid "GigaWords" #~ msgstr "GigaWords" #~ msgid "GigaBytes" #~ msgstr "GigaBait" #~ msgid "Force Parallel Methods" #~ msgstr "Paksa Kaedah Selari" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Hasilkan fail \"Teras\" bila henti paksa" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Ingatan:" #~ msgid "Diagonalization Method:" #~ msgstr "Kaedah Pempepenjuruan:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Jenis Imbangan Muat Selari" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Gelung" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Nilai Berikutnya" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Guna Perwakilan Data Luaran untuk Mesej" #~ msgid "Initial Guess:" #~ msgstr "Tekaan Awal:" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO Dibaca ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO Disimpan (DICTNRY)" #~ msgid "Skip" #~ msgstr "Langkau" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Putar Orbital Alfa dan Beta" #~ msgid "Print the Initial Guess" #~ msgstr "Cetak Tekaan Awalan" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Antarmuka GAMESS untuk Kod Lain" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Paksa Jenis Jalan Semakan" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (Versi UK)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussian 9x" #~ msgid "Solvate with Water" #~ msgstr "Larutkan dengan Air" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Jana Orbital Tabii UHF" #~ msgid "Direct SCF" #~ msgstr "SCF Langsung" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Hanya Kira Perubahan dalam Matriks Fock" #~ msgid "Slater exchange" #~ msgstr "Pertukaran Slater" #~ msgid "Becke 1988 exchange" #~ msgstr "Pertukaran Becker 1988" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Kolerasi Vosko-Wilk-Nusair (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Kolerasi Lee-Yang-Parr" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Pertukaran Slater + Kolerasi VWN" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: Pertukaran BECKE + Kolerasi VWN5" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: Pertukaran BECKE + Kolerasi LYP" #~ msgid "Gill 1996 exchange" #~ msgstr "Pertukaran Gill 1996" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Pertukaran Perdew-Burke-Ernzerhof (PBE)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: Kolerasi Progresif Satu-parameter" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Kolerasi Lee-Yang-Parr (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + Kolerasi OP" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: Pertukaran BECKE + Kolerasi OP" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: Pertukaran GILL + Kolerasi VWN5" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: Pertukaran GILL + Kolerasi LYP" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: Pertukaran PBE + Kolerasi VWN6" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: Pertukaran PBE + Kolerasi LYP" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: Pertukaran PBE + Kolerasi OP" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF dan Pertukaran BECKE + Kolerasi LYP" #~ msgid "Grid-Free" #~ msgstr "Bebas-Grid" #~ msgid "AO Integral Storage" #~ msgstr "Storan Kamiran AO" #~ msgid "Duplicated on Each Node" #~ msgstr "Gandaan pada Setiap Nod" #~ msgid "Distributed Across All Nodes" #~ msgstr "Teragih Meliputi Semua Nod" #~ msgid "words" #~ msgstr "perkataan" #~ msgid "Compute MP2 Properties" #~ msgstr "Kira Sifat MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Pangkasan Pengekalan Kamiran:" #~ msgid "Use Localized Orbitals" #~ msgstr "Guna Orbital Setempat" #~ msgid "# of Core Electrons:" #~ msgstr "# dari Elektron Teras:" #~ msgid "Transformation Method" #~ msgstr "Kaedah Transformasi" #~ msgid "Two Phase Bin Sort" #~ msgstr "Isih Dua Fasa Bin" #~ msgid "Segmented Transformation" #~ msgstr "Trasnformasi Tersegmen" #~ msgid "Numeric" #~ msgstr "Numerik" #~ msgid "Double Differenced Hessian" #~ msgstr "Hesian Terbeza Dubel" #~ msgid "Print Internal Force Constants" #~ msgstr "Cetak Pemalar Daya Dalaman" #~ msgid "Displacement Size:" #~ msgstr "Saiz Sesaran:" #~ msgid "Purify Hessian" #~ msgstr "Hesian Tulen" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Hesian Awalan" #~ msgid "Guess (+ define)" #~ msgstr "Tekaan (+ takrif)" #~ msgid "Read (from $HESS)" #~ msgstr "baca (dari $HESS)" #~ msgid "Update Step Size" #~ msgstr "Kemaskini Saiz Langkah" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Cetak Orb pada Setiap Iterasi" #~ msgid "Stationary Point" #~ msgstr "Titik Kekal" #~ msgid "Initial:" #~ msgstr "Awalan:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Pengotimuman Fungsi Rasional" #~ msgid "Quadratic Approximation" #~ msgstr "Penghampiran Kuadratik" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Pengoptimuman Kekangan" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Kira Semula Hesian Setiap:" #~ msgid "Follow Mode:" #~ msgstr "Mod Ikut:" #~ msgid "GAMESS-UK Input" #~ msgstr "Input GAMESS-UK" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Input GAMESS-UK dijana oleh Avogadro" #~ msgid "Transition State Search" #~ msgstr "Gelintar Keadaan Peralihan" #~ msgid "Basis:" #~ msgstr "Asas:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Matriks-Z" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "Dalam mod terus, integral tidak disimpan dalam cakera, tetapi dikira " #~ "semula.\n" #~ "bila diperlukan. Dalam sistem modern dengan pemprosesan pantas dan " #~ "cakera\n" #~ "perlahan, terus adalah lebih pantas." #~ msgid "Run in direct mode:" #~ msgstr "Jalan dalam mod terus:" #~ msgid "Gaussian Input" #~ msgstr "Input Gaussian" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Piawai" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Titik Semak:" #~ msgid "Z-matrix (compact)" #~ msgstr "Matriks-Z (padat)" #~ msgid "MOLPRO Input" #~ msgstr "Input MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Versi Molpro:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "Input MOPAC" #~ msgid "Quartet" #~ msgstr "Kuartet" #~ msgid "Quintet" #~ msgstr "Kuintet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Input NWChem" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Input Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "Input TeraChem" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Tidak disekat" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "tidak" #~ msgid "yes" #~ msgstr "ya" #~ msgid "D2" #~ msgstr "D2" #~ msgid "D3" #~ msgstr "D3" #~ msgid "Dispersion:" #~ msgstr "Serakan:" #~ msgid "Load Shaders" #~ msgstr "Muat Pelorek" #~ msgid "Shader Name:" #~ msgstr "Nama Pelorek:" #~ msgid "Vertex Shader:" #~ msgstr "Pelorek Puncak:" #~ msgid "Fragment Shader:" #~ msgstr "Pelorek Cebisan:" #~ msgid "Assign Shader" #~ msgstr "Umpuk Pelorek" #~ msgid "Display Type:" #~ msgstr "Jenis Paparan:" #~ msgid "Font:" #~ msgstr "Fon:" #~ msgid "Change Font..." #~ msgstr "Ubah Fon..." #~ msgid "Foreground:" #~ msgstr "Latar Hadapan:" #~ msgid "New..." #~ msgstr "Baru..." #~ msgid "Rename..." #~ msgstr "Namakan Semula..." #~ msgid "&Schemes:" #~ msgstr "&Skema:" #~ msgid "&DPI:" #~ msgstr "&DPI..." #~ msgid "&Width:" #~ msgstr "&Lebar:" #~ msgid "&Height" #~ msgstr "&Tinggi" #~ msgid "cm" #~ msgstr "sm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "px" #~ msgstr "px" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Guna nilai teroptimum bagi saiz fon selain dari nilai dinyatakan-skema " #~ "(skrin pada saiz titik imej tidak diterjemah dengan baik!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Saiz F&on Laras-sendiri" #~ msgid "Spectra Tab" #~ msgstr "Tab Spekr=trum" #~ msgid "&Gaussian Width:" #~ msgstr "Lebar &Gaussian:" #~ msgid "&Label peaks" #~ msgstr "Puncak &label" #~ msgid "Rotatory Strength type:" #~ msgstr "Jenis Kekuatan Putaran:" #~ msgid "Energy units:" #~ msgstr "Unit tenaga:" #~ msgid "Density units" #~ msgstr "Unit ketumpatan" #~ msgid "Fermi Energy: " #~ msgstr "Tenaga Fermi: " #~ msgid "States / Cell" #~ msgstr "Keadaan / Sel" #~ msgid "States / Atom" #~ msgstr "Keadaan / Atom" #~ msgid "States / Valence electron" #~ msgstr "Keadaan / Elektron Valens" #~ msgid "Fermi energy at zero" #~ msgstr "Tenaga Fermi pada sifar" #~ msgid "Scale integrated DOS" #~ msgstr "Skala tersepadu DOS" #~ msgid "Show integrated DOS" #~ msgstr "Papar DOS tersepadu" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "Unit Paksi &Y:" #~ msgid "Scaling Type:" #~ msgstr "Jenis Penskalaan:" #~ msgid "Relative" #~ msgstr "Relatif" #~ msgid "Laser Wavenumber:" #~ msgstr "Bilangan Gelombang Laser:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Nucleus:" #~ msgstr "Nukleus:" #~ msgid "Gaussian &Width:" #~ msgstr "&Lebar Gaussian:" #~ msgid "Reset &Plot Axes" #~ msgstr "Tetap Semula Paksi &Plot" #~ msgid "Label Peaks:" #~ msgstr "Puncak Label:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Getaran Molekul" #~ msgid "Filter: " #~ msgstr "Penapis: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "AKtivitI (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Papar Spektrum..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "" #~ "getaran frekuensi lebih tinggi akan paparkan pergerakan lebih pantas" #~ msgid "Animation speed set by frequency" #~ msgstr "Kelajuan animasi ditetapkan mengikut frekuensi" #~ msgid "Display force &vectors" #~ msgstr "Papar &vektor paksa" #~ msgid "&Normalize displacements" #~ msgstr "Penyesaran &normal" #~ msgid "&Recalculate All" #~ msgstr "&Kira Semula Semua" #~ msgid "Default &Quality:" #~ msgstr "K&ualiti Lalai:" #~ msgid "Show occupied orbitals first" #~ msgstr "Papar petala pertama diduduki" #~ msgid "Limit orbital precalculations to " #~ msgstr "Hadkan prapengiraan petala kepada " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "petala disekitar HOME/LUMO" #~ msgid "Surface Type:" #~ msgstr "Jenis Permukaan:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Rendah" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Sederhana" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Tinggi" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Sangat Tinggi" #~ msgid "Isosurface cutoff value" #~ msgstr "Nilai pangkasan permukaan-iso" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Jenis Paparan In:" #~ msgid "New Display" #~ msgstr "Paparan Baru" #~ msgid "Advanced..." #~ msgstr "Lanjutan..." #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "&Panjang:" #~ msgid "Uni&t:" #~ msgstr "Uni&t" #~ msgid "periodic units" #~ msgstr "unit berkala" #~ msgid "angstrom" #~ msgstr "angstrom" #~ msgid "bohr radii" #~ msgstr "jejari bohr" #~ msgid "nanometers" #~ msgstr "nanometer" #~ msgid "&Cap with hydrogen" #~ msgstr "&Tutup dengan hidrogen" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "Ia mungkin mengambil masa. Jika hanya koordinat\n" #~ "atom diperlukan (katakanm untuk pengiraan mekanikal\n" #~ "kuantum), perwakilan hanya satu ikatan tunggal adalah\n" #~ "memadai." #~ msgid "Find &double bonds" #~ msgstr "Cari ikatan &dubel" #~ msgid "Display visual cues" #~ msgstr "Papar cue visual" #~ msgid "Python Settings" #~ msgstr "Tetapan Python" #~ msgid "Z Matrix Editor" #~ msgstr "Penyunting Matriks Z" avogadrolibs-1.100.0/i18n/nb.po000066400000000000000000007604461474375334400161020ustar00rootroot00000000000000# Norwegian Bokmal translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Allan Nordhøy , 2020, 2021, 2022, 2023. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-13 03:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Norwegian Bokmål \n" "Language: nb\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:02+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Ingen melding angitt." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Referansefilen «%1» finnes ikke." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 #, fuzzy msgid "Response must be a JSON object at top-level." msgstr "Svaret må være et JSON-objekt på øverste nivå." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Skriptutdata:\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Fortsett" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Lukk" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Ukjent" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "Send inn %1-beregning" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Klarte ikke å skrive til filen %1." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Velg utdatamappe" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Mappen finnes ikke." #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Mappen er skrivebeskyttet!" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: Filen vil bli overskrevet." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: Filen er skrivebeskyttet." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "Klarte ikke å sende inn jobb" #: molequeue/molequeuedialog.cpp:128 #, fuzzy, qt-format #| msgid "The job has been rejected by MoleQueue: %1" msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "Jobben har blitt avvist av MoleQueue: %1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Velg et program først." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Intern feil." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Klarte ikke å løse valg av program. Dette er en feil." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "Del vannrett" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "Del loddrett" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Hydrogen" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Litium" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Beryllium" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Karbon" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Nitrogen" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Oksygen" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Natrium" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnesium" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Aluminium" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silisium" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Svovel" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Klor" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Kalium" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Kalsium" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Scandium" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titan" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadium" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Krom" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Jern" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Kobolt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nikkel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Kobber" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Sink" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsen" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selen" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Yttrium" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirconium" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niob" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molybden" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Technetium" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Ruthenium" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rhodium" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Sølv" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Kadmium" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Tinn" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Tellur" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Jod" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Cesium" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantan" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cerium" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodym" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodym" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Promethium" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Thulium" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Wolfram" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Rhenium" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platina" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Gull" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Kvikksølv" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Thallium" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Bly" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Vismut" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astat" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Actinium" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Thorium" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protactinium" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uran" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Americium" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Californium" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Røntgenium" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Copernicium" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moscovium" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tenness" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:23 #, fuzzy msgid "Browse" msgstr "Bla gjennom" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "lesere" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "les" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "skrivere" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "skriv" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Alle filer" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "Prosessorkjerner" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "Utregningstype" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "Teori" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "Ladning" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "Lag %1" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Kuler og pinner" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Kartesisk" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Kraft" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Symmetrielementer" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Kantlinjer" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "Uten tittel" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "Opprett en ny visning" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodetabell" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "Skript krasjet." #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "Tidsavbrudd for skript." #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "Skrivefeil." #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Endre lag" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Legg til lag" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Legg til laginfo" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Legg til atom" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Fjern Atom" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "Fjern atomer" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Juster hydrogener" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Endre grunnstoff" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Endre grunnstoff" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Legg til binding" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 #, fuzzy msgid "Clear Bonds" msgstr "Slett binding" #: qtgui/rwmolecule.cpp:335 #, fuzzy msgid "Set Bond Orders" msgstr "Bindingsegenskaper" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:369 #, fuzzy msgid "Update Bonds" msgstr "Slett binding" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 #, fuzzy #| msgid "&UV Settings" msgid "Settings" msgstr "Innstillinger" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Fil" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "&Eksporter" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Bygg" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Grunnstoff:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Akse:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX-fil (*.dx)" #: qtplugins/apbs/apbs.cpp:116 #, fuzzy msgid "IO Error" msgstr "Feil" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "Kunne ikke lese strukturfil (%1)." #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "OpenDX-feil" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Kunne ikke lese OpenDX-fil: %1" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Åpne PDB-fil" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB-filer (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Åpne PQR-fil" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR-filer (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Feil" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Kunne ikke kjøre APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Angi PDB-fil" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Lagre APBS-inndatafil" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "Suksess" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "Selvvalgt farge…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "Grunnstoff" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "Etter kjede" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy #| msgid "Partial charge" msgid "By Partial Charge…" msgstr "Partiell ladning…" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "Etter sekundær struktur" #: qtplugins/applycolors/applycolors.cpp:87 #, fuzzy msgid "By Amino Acid" msgstr "Aminosyrer" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 #, fuzzy #| msgid "Spectra" msgctxt "colormap" msgid "Spectral" msgstr "Spektra" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Vis" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Vis multiple bindinger" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 #, fuzzy #| msgid "Fix Selected Atoms" msgid "Bond Selected Atoms" msgstr "Bind valgte atomer" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "Liaison" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Bakgrunn" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Kartesisk" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Utvidelser" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "Behandler %1" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "Sett sti til Python-fortolker:" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "Kommando-skript" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Ugyldig elementnavn." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Atomnummer." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Ugyldig koordinat." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Egendefinert" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ-format (symboler)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ-format (navn)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "InChi" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Utdataformat: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "Klarte ikke å lese utklippstavledata." #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Oppdaget format: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Kopier og lim inn" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energi" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "&Crystal" msgstr "&Krystallografi" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "Krystallografi" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Tegn" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Tegn atom" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "Automatisk" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Enkel" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Dobbel" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Trippel" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "&Importer" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB-kode" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Nettverksnedlasting mislyktes" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Nettverkstidsavbrudd eller annen feil." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "Optimiser geometri" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy #| msgid "Import Selected Atoms" msgid "Freeze Selected Atoms" msgstr "Bind valgte atomer" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate Energy" msgid "&Calculate" msgstr "Beregn" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Energi = %L1 %2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Oppdag automatisk (%1)" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "Sadelpunkt" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Frekvenser" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gass" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Vann" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Kation" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Nøytral" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Juster hydrogener" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "&Hydrogener" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hydrogener" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 #, fuzzy #| msgctxt "Ultra-Violet spectrum" #| msgid "UV" msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 #, fuzzy #| msgid "Generating 3D molecule..." msgid "Generating 3D molecule…" msgstr "Genererer 3D-molekyl …" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "Molekyl …" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Krystallografi …" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Sett inn fragment" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Sett inn fragment" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 #, fuzzy msgid "Color:" msgstr "Farger:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Grunnstoff" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Ugjennomsiktighet:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 #, fuzzy #| msgid "InChI" msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 #, fuzzy msgid "No descriptors found!" msgstr "Ingen beskrivelse!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "Kunne ikke laste inn forespurt formatleser." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipuler" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Mål" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Vinkel:" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "Vinkel:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Måleverktøy" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy msgid "&Molecular…" msgstr "&Molekyl …" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 #, fuzzy msgid "&Analysis" msgstr "&Analytisk" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Egenskaper" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 #, fuzzy msgid "Molecule Properties" msgstr "Molekylegenskaper" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 #, fuzzy #| msgid "&Export" msgid "Export CSV" msgstr "Eksporter CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy #| msgid "&Export" msgid "Export…" msgstr "Eksporter …" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Naviger" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Navigasjonsverktøy" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Kjemisk navn" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 #, fuzzy #| msgid "°" msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "Fjern hydrogener" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "&Åpne Babel" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 #, fuzzy #| msgid "Generating 3D molecule..." msgid "Generating…" msgstr "Genererer …" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, fuzzy, qt-format #| msgctxt "arg is an executable file." #| msgid "Starting %1..." msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Starter %1 …" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Steg %1 av %2\n" "Nåværende energi: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 #, fuzzy msgid "Updating molecule…" msgstr "Oppdaterer molekyl …" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "Kan ikke åpne fil med Open Babel." #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 #, fuzzy msgid "&OpenMM Script…" msgstr "&OpenMM-inndata …" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMM-inndata" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Generer inndata for OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "Spiller" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "Spill" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Stopp" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr " Førstepersonsskytespill" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "Film (*.mp4)" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Film (*.mp4);;Movie (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "videofiler (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "Feilmelding: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "Versjon" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "Beskrivelse" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Laster ned %1 til %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Pakker ut %1 til %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "Fullførte %1 filer\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 #, fuzzy msgid "Extraction successful\n" msgstr "Utpakket\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "Klarte ikke å pakke ut: %1" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 #, fuzzy #| msgid "Download Plugins" msgid "Download Plugins…" msgstr "Laster ned programtillegg …" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Laster ned programtillegg" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Last ned programtillegg fra GitHub-pakkebrønner." #: qtplugins/ply/ply.cpp:29 #, fuzzy #| msgid "VRML Render" msgid "PLY Render…" msgstr "PLY-opptegner …" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 #, fuzzy msgid "Save File" msgstr "Lagre fil" #: qtplugins/ply/ply.cpp:71 #, fuzzy #| msgid "VRML (*.wrl);;Text file (*.txt)" msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Tekstfil (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 #, fuzzy #| msgid "Render the scene using VRML." msgid "Render the scene using PLY." msgstr "Tegn scenen ved bruk av PLY." #: qtplugins/povray/povray.cpp:29 #, fuzzy #| msgid "VRML Render" msgid "POV-Ray Render…" msgstr "POV-Ray-opptegner…" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Valens" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "Farger:" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Atome" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Sluttatom" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Bindingsegenskaper" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Lengde (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Atom 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Hjørne" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Atom 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Vinkel (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Atom 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Atom 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "Heliks" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "Heliks" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "Atomegenskaper…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy msgid "Bond Properties…" msgstr "Bindingsegenskaper…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Vinkelegenskaper…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Egenskaper" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Atomegenskaper" #: qtplugins/propertytables/propertyview.cpp:47 #, fuzzy msgid "Bond Properties" msgstr "Bindingsegenskaper" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Vinkelegenskaper" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "Skript-filformater" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Velg" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "Velg" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Utvalg" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgid "Spectra" msgid "Spectra" msgstr "Spektra" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "Infrarødt" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 #, fuzzy #| msgctxt "NMR spectra option" #| msgid "NMR" msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Velg bakgrunnsfarge" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Velg forgrunnsfarge" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 #, fuzzy #| msgid "No intensities" msgid "Intensity" msgstr "Intensiteter" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 #, fuzzy #| msgid "Energy" msgid "Energy (eV)" msgstr "Energi (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Symmetri" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Status" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Molekylærorbital" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Flater" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "Klasse" #: qtplugins/symmetry/symmetry.cpp:41 #, fuzzy #| msgid "Symmetry" msgid "Symmetry…" msgstr "Symmetri…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "Gruppe %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "Vibrasjon" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 #, fuzzy #| msgid "VRML Render" msgid "VRML Render…" msgstr "VRML-opptegner …" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Tekstfil (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Tegn scenen ved bruk av VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dialogvindu" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Skjema" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) #, fuzzy #| msgid "Placeholder text..." msgid "Placeholder text…" msgstr "Plassholdertekst …" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) #, fuzzy #| msgid "Debug script..." msgid "Debug Script…" msgstr "Avlus skript …" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #, fuzzy #| msgid "Submit %1 Calculation" msgid "Submit Calculation…" msgstr "Send inn beregning …" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy #| msgid "Save APBS Input File" msgid "Save Input…" msgstr "Lagre inndatafil …" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "Gjenoppfrisk" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Skjul jobb i MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "Sett inn fragment …" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Suksess!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial charge" msgid "Partial Charges" msgstr "Partiell ladning" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Bruk" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Standardverdier" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Lagre fil …" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Tittel:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Metode:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A-gjentagelse:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B-gjentagelse:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C-gjentagelse:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Bruk" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Angre" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Skjul" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Inn:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplisitet:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Med:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Ladning:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "navn" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A:" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C:" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "A:" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "B:" msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Enkel" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Dobbel" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy #| msgid "Generating 3D molecule..." msgid "Generate…" msgstr "Genererer …" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) #, fuzzy #| msgid "Origin:" msgid "Origin" msgstr "Origo" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) #, fuzzy #| msgid "Method:" msgid "Method" msgstr "Metode" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Enkel" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Dobbel" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Skranker:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Temperatur:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Bølgelengde:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Kovalent" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Utseende" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Vis" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) #, fuzzy #| msgid "&Import" msgid "&Import..." msgstr "&Importer ..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) #, fuzzy #| msgid "&Export" msgid "&Export..." msgstr "&Eksporter ..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Background:" msgstr "Bakgrunn:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Eksporter data" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) #, fuzzy #| msgid "Close" msgid "&Close" msgstr "Lukk" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Kvalitet: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Faible" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Moyen" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Élevée" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Farge:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Oppløsning:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " K" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Lys" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekyl" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "1: Linear" msgstr "1: Lineær" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "2: Linear" msgstr "2: Lineær" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy #| msgid "Group %1" msgid "Groups" msgstr "Grupper" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Group %1" msgid "Group:" msgstr "Gruppe:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #, fuzzy msgid "Start Animation" msgstr "Start animasjon" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) #, fuzzy msgid "Stop Animation" msgstr "Stopp animasjon" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) #, fuzzy msgid " eV" msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" "Oversettelse ved Allan Nordhøy\n" "Anders Oftedal, Kenneth Langdalen, Simen Heggestøyl, og Tor Syversen" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" "epost@anotheragency.no, anders.oftedal@gmail.com, simen@simenh.com, " "simenheg@gmail.com, sol-moe@online.no" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #, fuzzy #~ msgid "eV)" #~ msgstr "eV)" #, fuzzy #~| msgid "Partial charge" #~ msgid "Partial Charge" #~ msgstr "Partiell ladning" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animasjon" #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals" #, fuzzy #~| msgid "Optimize Geometry" #~ msgid "Geometry" #~ msgstr "Optimiser geometri" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Atomnummer" #, fuzzy #~ msgid "By Distance" #~ msgstr "Avstand(er):" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Atomnummer" #, fuzzy #~| msgid "Molecule" #~ msgid "Molecule Name:" #~ msgstr "Molekyl" #~ msgid "Number of Atoms:" #~ msgstr "Antall atomer:" #~ msgid "Number of Bonds:" #~ msgstr "Antall bindinger:" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "Optimalisering" #, fuzzy #~ msgid "In." #~ msgstr "Inn:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragment …" #~ msgid "Download Plugins..." #~ msgstr "Laster ned programtillegg …" #~ msgid "S&erver" #~ msgstr "T&jener" #~ msgid "Connection failed" #~ msgstr "Tilkobling mislyktes" #, fuzzy #~ msgid "Filename" #~ msgstr "Filnavn:" #~ msgid "&Hostname:" #~ msgstr "&Vertsnavn:" #~ msgid "Port" #~ msgstr "Port" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Naviger" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Naviger" #~ msgid "OK" #~ msgstr "OK" #~ msgid "Files of type:" #~ msgstr "Filer av type:" #~ msgid "Cancel" #~ msgstr "Avbryt" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Grunnstoff" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Tous les fichiers" #, fuzzy #~ msgid "Layer" #~ msgstr "Spiller" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molekyl" #, fuzzy #~| msgid "Generating 3D molecule..." #~ msgid "Generating 3D molecule..." #~ msgstr "Genererer 3D-molekyl …" #, fuzzy #~ msgid "Crystal..." #~ msgstr "&Krystallografi" #, fuzzy #~ msgid "Write" #~ msgstr "skriv" #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Juster hydrogener" #~ msgid "Atom Properties..." #~ msgstr "Atomegenskaper..." #, fuzzy #~ msgid "Bond Properties..." #~ msgstr "Bindingsegenskaper..." #~ msgid "Angle Properties..." #~ msgstr "Vinkelegenskaper …" #, fuzzy #~ msgid "Torsion Properties..." #~ msgstr "Atomegenskaper" #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Molekylegenskaper..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Symmetri …" #~ msgid "&Exit" #~ msgstr "&Avslutt" #~ msgid "Distance: %L1 Å" #~ msgstr "Avstand: %L1 Å" #~ msgid "Reset to Default Values" #~ msgstr "Gjenopprett forvalgte verdier" #~ msgid "Write files to disk..." #~ msgstr "Skriv filer til disk …" #~ msgid "Rotatable" #~ msgstr "Roterbar" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Vinkel %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsion" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "Energi (eV)" #~ msgid "Yes" #~ msgstr "Ja" #~ msgid "No" #~ msgstr "Nei" #, fuzzy #~ msgid "Import" #~ msgstr "Importer" #, fuzzy #~ msgid "Insert SMILES fragment:" #~ msgstr "Sett inn fragment" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "&Krystallografi" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Juster hydrogener" #, fuzzy #~ msgid "Stopped" #~ msgstr "Stopp" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Flater" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Fargelegg etter indeksering (rød, oransje, gul, blå, fiolett)." #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "Farge etter partiell ladning (blå = positiv, rød = negativ)." #~ msgid "Color by Distance" #~ msgstr "Farge etter avstand" #~ msgid "Color by distance from the first atom." #~ msgstr "Farge etter avstand fra det første atomet." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Farge etter grunnstoff (karbon = grå, oksygen = rød, …)." #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS-mønster:" #~ msgid "Highlight Color:" #~ msgstr "Farge for framheving:" #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Axes" #~ msgstr "Akser" #~ msgid "Hydrogen Bond" #~ msgstr "Hydrogenbinding" #~ msgid "Renders hydrogen bonds" #~ msgstr "Tegner hydrogenbindinger" #~ msgid "Polygon" #~ msgstr "Mangekant" #~ msgid "Ring" #~ msgstr "Ring" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waals-kuler" #~ msgid "%1/%2" #~ msgstr "%1%2" #~ msgid "Adding .avi extension" #~ msgstr "Legger til .avi-utvidelse" #~ msgid "Animation..." #~ msgstr "Animasjon..." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Må spesifisere et gyldig .avi-filnavn" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Kunne ikke fastslå formatet utfra filnavnet: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animer baner, reaksjoner og vibrasjoner." #~ msgid "Number of atoms: %1" #~ msgstr "Antall atomer: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Antall roterbare bindinger: %1" #~ msgid "Add constraint" #~ msgstr "Legg til skranke" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Molekylet ditt må inneholde minst ett atom for å legge til en skranke" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Molekylet ditt må inneholde minst to atomer for å legge til en " #~ "bindingsskranke" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Molekylet ditt må inneholde minst tre atomer for å kunne legge til en " #~ "vinkelbegrensning" #~ msgid "&Reduce" #~ msgstr "&Reduser" #~ msgid "Undefined" #~ msgstr "Indéfini" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Sekskantet" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Kubisk" #~ msgid "Trajectory..." #~ msgstr "Bane …" #~ msgid "Import trajectory files" #~ msgstr "Importer banefiler" #~ msgid "Constraints..." #~ msgstr "Skranker..." #~ msgid "&Vector Graphics..." #~ msgstr "&Graphiques vectoriels..." #~ msgid "Common vector image formats" #~ msgstr "Format d'image vectorielle usuel" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Peptide..." #~ msgstr "Peptid …" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "ukjent" #~ msgid "Show Preview" #~ msgstr "Forhåndsvisning" #~ msgid "Hide Preview" #~ msgstr "Skjul forhåndsvisning" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Bildefiler (*.png *.pbm)" #~ msgid "Does not compute." #~ msgstr "Lar seg ikke beregne." #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Kan ikke skrive til fila %1. Har du skriverettigheter i dette området?" #~ msgid "Python Terminal" #~ msgstr "Python-terminal" #~ msgid "Delete" #~ msgstr "Slett" #~ msgid " (" #~ msgstr " (" #~ msgid ")" #~ msgstr ")" #~ msgid "Gaussian Running." #~ msgstr "Gaussian kjører." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian kjører allerede. Vent til den forrige utregningen er ferdig." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian er ikke installert." #~ msgid "&Dalton..." #~ msgstr "&Dalton …" #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "MOPAC Running." #~ msgstr "MOPAC kjører." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC kjører allerede. Vent til den forrige utregningen er ferdig." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC er ikke installert." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC startet ikke. Kanskje det er installert feil." #~ msgid "Running MOPAC calculation..." #~ msgstr "Kjører MOPAC-utregning …" #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC krasjet." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "MOPAC kjørte ikke som det skal. Kanskje det er installert feil." #~ msgid "X Axis" #~ msgstr "X-akse" #~ msgid "Y Axis" #~ msgstr "Y-akse" #~ msgid "Publication" #~ msgstr "Publikasjon" #~ msgid "Handdrawn" #~ msgstr "Håndtegnet" #~ msgid "Comma Separated Values" #~ msgstr "Kommaseparerte verdier" #~ msgid "Data Format" #~ msgstr "Dataformat" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format:" #~ msgid "Load Spectral Data" #~ msgstr "Last inn spektraldata" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Save Spectra Image" #~ msgstr "Lagre spektralbilde" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Sorterer %1 vibrasjoner etter frekvens …" #~ msgid "Pause" #~ msgstr "Pause" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Ingenting" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgid "Connect" #~ msgstr "Koble til" #~ msgid "Disconnect" #~ msgstr "Koble fra" #~ msgid "Debug Information" #~ msgstr "Feilsøkingsinformasjon" #~ msgid "Atoms: %L1" #~ msgstr "Atomer: %L1" #~ msgid "Molecule %1" #~ msgstr "Molekyl %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Ukjent Python-motor" #~ msgid " - no module" #~ msgstr " - ingen modul" #~ msgid "Unknown Python Extension" #~ msgstr "Ukjent Python-utvidelse" #~ msgid "Tools" #~ msgstr "Verktøy" #~ msgid "Everything" #~ msgstr "Alt" #~ msgid "Algorithm:" #~ msgstr "Algoritme:" #~ msgid "Fixed atoms are movable" #~ msgstr "Faste atomer kan flyttes" #~ msgid "Auto Rotation Tool" #~ msgstr "Automatisk roterings verktøy" #~ msgid "x rotation:" #~ msgstr "x rotasjon:" #~ msgid "x rotation" #~ msgstr "x rotasjon" #~ msgid "y rotation:" #~ msgstr "y rotasjon:" #~ msgid "y rotation" #~ msgstr "y rotasjon" #~ msgid "z rotation:" #~ msgstr "z rotasjon:" #~ msgid "z rotation" #~ msgstr "z rotasjon" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Draw Bond" #~ msgstr "Tegn binding" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Tegn og rediger atomer og bindinger" #~ msgid "Atom/Bond" #~ msgstr "Atom/Binding" #~ msgid "Change color of the atom" #~ msgstr "Endre farge på atomet" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Ny radius, %1:" #~ msgid "Symbol" #~ msgstr "Symbol" #~ msgid "Bond Length" #~ msgstr "Bindingslengde" #~ msgid "Create/edit a z-matrix" #~ msgstr "Lag/rediger en z-matrise" #~ msgid "Axes:" #~ msgstr "Akser:" #~ msgid "Cartesian Axes" #~ msgstr "Kartesiske akser" #~ msgid "Orthogonal Axes" #~ msgstr "Ortogonale akser" #~ msgid "Axis 1:" #~ msgstr "Akse 1:" #~ msgid "Axis 2:" #~ msgstr "Akse 2:" #~ msgid "Axis 3:" #~ msgstr "Akse 3:" #~ msgid "Norm" #~ msgstr "Norm" #~ msgid "Bond Radius:" #~ msgstr "Bindingsradius:" #~ msgid "Text:" #~ msgstr "Tekst:" #~ msgid "Bond length" #~ msgstr "Bindingslengde" #~ msgid "Bond number" #~ msgstr "Bindingsnummer" #~ msgid "Radius:" #~ msgstr "Radius:" #~ msgid "Positive" #~ msgstr "Positiv" #~ msgid "Negative" #~ msgstr "Negativ" #~ msgid "Show Atoms" #~ msgstr "Vis atomer" #~ msgid "0/0" #~ msgstr "0/0" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "Number of atoms:" #~ msgstr "Antall atomer:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Antall roterbare bindinger:" #~ msgid "Ignore Atom" #~ msgstr "Ignorer atom" #~ msgid "Fix Atom" #~ msgstr "Bind atom" #~ msgid "Fix Atom X" #~ msgstr "Bind atom X" #~ msgid "Fix Atom Y" #~ msgstr "Bind atom Y" #~ msgid "Fix Atom Z" #~ msgstr "Bind atom Z" #~ msgid "Add" #~ msgstr "Legg til" #~ msgid "Save" #~ msgstr "Lagre" #~ msgid "Number of steps" #~ msgstr "Antall steg" #~ msgid "Algorithm" #~ msgstr "Algoritme" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Arginin" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Cysteine" #~ msgstr "Cystein" #~ msgid "Glutamine" #~ msgstr "Glutamin" #~ msgid "Glycine" #~ msgstr "Glycin" #~ msgid "Gly" #~ msgstr "Gly" #~ msgid "Histidine" #~ msgstr "Histidin" #~ msgid "His" #~ msgstr "His" #~ msgid "Tryptophan" #~ msgstr "Tryptofan" #~ msgid "Serine" #~ msgstr "Serin" #~ msgid "Phenylalanine" #~ msgstr "Fenylalanin" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "Metionin" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "Leucin" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Path:" #~ msgstr "Sti:" #~ msgid "Parallel" #~ msgstr "Parallell" #~ msgid "Property:" #~ msgstr "Egenskap:" #~ msgid "System" #~ msgstr "System" #~ msgid "Misc" #~ msgstr "Diverse" #~ msgid "Default" #~ msgstr "Standard" #~ msgid "Minutes" #~ msgstr "Minutter" #~ msgid "Hours" #~ msgstr "Timer" #~ msgid "Days" #~ msgstr "Dager" #~ msgid "Weeks" #~ msgstr "Uker" #~ msgid "Years" #~ msgstr "År" #~ msgid "Memory:" #~ msgstr "Minne:" #~ msgid "Skip" #~ msgstr "Hopp over" #~ msgid "Numeric" #~ msgstr "Numerisk" #~ msgid "Stationary Point" #~ msgstr "Stasjonært punkt" #~ msgid "Z-matrix" #~ msgstr "Z-matrise" #~ msgid "New..." #~ msgstr "Ny …" #~ msgid "Rename..." #~ msgstr "Endre navn …" #~ msgid "mm" #~ msgstr "mm" #~ msgid "Relative" #~ msgstr "Relativ" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Lav" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Høy" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Veldig høy" #~ msgid "Advanced..." #~ msgstr "Avansert …" #~ msgid "Python Settings" #~ msgstr "Python-innstillinger" avogadrolibs-1.100.0/i18n/nl.po000066400000000000000000011150771474375334400161070ustar00rootroot00000000000000# Dutch translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Koen Roggemans , 2022, 2024. # Joeri van Limpt , 2023. # LibreTranslate , 2024. # Weblate Translation Memory , 2024. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-16 14:01+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Dutch \n" "Language: nl\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:02+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Batchtaak #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Geen bericht gespecificeerd." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "script --print-options output moet een JSON object at top level zijn. " "Ontvangen:\n" "%1" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "Niet string waarschuwing gegeven." #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "'warnings' onderdeel is geen array." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Referentie bestand '%1' bestaat niet." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "Fout tijdens vullen van bestand %1: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Bestand '%1' is slecht gevormd. Missende string 'contents' of 'filePath' " "onderdeel." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Misvormd bestand invoer: bestandsnaam/inhoud mist of geen strings:\n" "%1" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Misvormd bestand invoer bij index %1: Niet een object." #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "'files' onderdeel is geen array." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "'files' onderdeel mist." #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "'mainFile' onderdeel refereert niet aan een invoer in 'files'." #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "'mainFile' onderdeel moet een string zijn." #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "Antwoord moet een JSON object at top-level zijn." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Script output:\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Parse fout bij offset 22X:\n" "Raw JSON:\n" "\n" "43X" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Fout tijdens opslaan molecuul representatie naar string: Niet herkend " "bestandsformaat: %1" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Fout tijdens opslaan molecuul representatie naar string: %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Error generating cjson object: Parse fout bij offset 53X:\n" "Raw JSON:\n" "\n" "_" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Error generator Cjson object: Geadresseerde JSON is geen object:\n" "%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "Invoer Generator (fout)" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "%1 Ivoer Generator" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Vervolg" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Sluiten" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Onbekend" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "Het volgende bestand is aangepast:\n" "\n" "%1\n" "\n" "Wilt u uw veranderingen overschrijven om de nieuwe geometrie of werkopties " "te reflecteren?" msgstr[1] "" "Volgende bestanden zijn aangepast:\n" "\n" "%1\n" "\n" "Wilt u uw veranderingen overschrijven om de nieuwe geometrie of werkopties " "te reflecteren?" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Overschrijf gewijzigd input bestand?" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "Problemen onstonden tijdens invoer generatie:" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "Geen invoer bestanden om op te slaan!" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "Kan niet verbinden met MoleQueue" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Kan niet verbinden met MoleQueue server. Zorg ervoor dat deze actief is en " "probeer opnieuw." #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "Dien %1 berkening in" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "Taak Mislukt" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "De taak is niet succecvol voltooid." #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "Script geeft waarschuwingen terug:\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "Verberg &Waarschuwingen" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "Toon &Waarschuwingen" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "Er is een fout opgetreden:" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "Interne fouten konden geen tekst-widget vinden voor bestand '%1'" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Output-fout" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Schrijven naar bestand %1 mislukt." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Selecteer uitvoermap" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Geen molecule ingesteld in achtergrondsbestandsformaat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Geen bestandsnaam ingesteld in achtergrondsbestandsformaat!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Waterstof" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Lithium" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Beryllium" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Boor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Koolstof" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Stikstof" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Zuurstof" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Natrium" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnesium" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Aluminium" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silicium" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Zwavel" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Chloor" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Kalium" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Calcium" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Scandium" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titanium" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadium" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Chroom" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Mangaan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Ijzer" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nikkel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Koper" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Zink" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arseen" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selenium" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Broom" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Yttrium" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirkonium" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niobium" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molybdeen" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Technetium" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Ruthenium" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rhodium" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Zilver" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Cadmium" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Tin" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimoon" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Telluur" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Jood" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Cesium" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lanthaan" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cerium" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodymium" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodymium" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Promethium" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Thulium" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantaal" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Wolfraam" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Renium" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platina" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Goud" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Kwik" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Thallium" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Lood" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bismut" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astaat" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Actinium" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Thorium" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protactinium" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uraan" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Americium" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Californium" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Roentgenium" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Copernicium" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moscovium" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tennessine" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "Bladeren" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "Alle bestanden" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "Kon optie '%1' niet vinden." #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Titel" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "Theorie" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Basis" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "[geen molecule]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Bal en staaf" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Cartoons" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipool Moment" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Kracht" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "Labels" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Dradenframe" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "Naamloos" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodiek systeem" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Verwijder laag" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Verwijder laaginfo" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "Wijzig laag" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Voeg Atoom Toe" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "verwijder atoom" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Pas Waterstoffen aan" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Wijzig Elementen" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Wijzig Element" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "Wijzig atoomlaag" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Voeg Binding Toe" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "Verwijder bindingen" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "Bindingsvolgorde instellen" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Wijzig bindings Orde" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "Bindingen bijwerken" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "Verwijder Unit Cell" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 #, fuzzy msgid "Wrap Atoms to Cell" msgstr "Wikkel Atomen om Cel" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "Schaal Celvolume" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "Bouw supercel" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "Draai naar Standaardweergave" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "Verklein naar Primitieve" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "Cel symmetrisch maken" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Vul Celeenheid" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "Verklein cel naar asymmetrische eenheid" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "Wijzig atoompositie" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "Wijzig atoompostitie" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "Wijzig atoomlabel" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 #, fuzzy #| msgid "&CD Settings" msgid "Settings" msgstr "Instellingen" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Bestand" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "&Exporteren" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Bouw" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Uitlijnen" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "As:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "Centreer het atoom op de oorsprong." #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Lijn molecules uit langs een Cartesische as." #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "IO-fout" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "FOUT" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "Succes" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "Op aangepaste kleur…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "Op element" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "Op deellading…" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "Op secundaire structuur" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "Op aminozuren" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "Spectraal" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "Balans" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "Bekijk" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "Kleur atomen" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "Kleurresidus" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "Selecteer kleurkaart" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "Kleurkaart:" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "Kleuren toepassen" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Bindingsschaal" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Toon meervoudige bindingen" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Toon waterstof" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Binding-centrisch manipulatiehulpmiddel" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Binding-centrisch manipulatiehulpmiddel." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "Ruimtegroep Waarnemen" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 #, fuzzy #| msgid "Fix Selected Atoms" msgid "Bond Selected Atoms" msgstr "Herstel geselecteerde atomen" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "Binding" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 #, fuzzy msgid "Perceive bond orders." msgstr "Ruimtegroep Waarnemen" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Hoofdketen" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Lint" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Cartoon" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Cartoon" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "Maximale afstand:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Geef dichte contacten tussen atomen weer." #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Extensies" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #, fuzzy msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 #, fuzzy #| msgid "Other" msgid "Other…" msgstr "Ander…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "&coördinaten editor" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "coördinaten editor" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Elementnaam." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Ongeldig elementsymbool." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Elementsymbool." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy #| msgid "By Atomic Index" msgid "Atomic index." msgstr "Atoomindex." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Atoomnummer." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X -coördinaat." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y-coördintaat." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z-coördinaat." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' roostercoördinaat." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "Kopiëren" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "Knippen" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "Wis" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "B&ewerk" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energie" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 #, fuzzy msgid "Molecular Dynamics" msgstr "Moleculaire Dynamica" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 #, fuzzy msgid "Geometry Optimization" msgstr "Geometrische Optimalisatie" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 #, fuzzy msgid "Molecular Mechanics" msgstr "Moleculaire Mechanica" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 #, fuzzy msgid "Conjugate Gradients" msgstr "Vervoeg Gradienten" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 #, fuzzy msgid "Steepest descent" msgstr "Stijlste Afdaling" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 #, fuzzy msgid "&Wrap Atoms to Unit Cell" msgstr "&Wikkel Atomen om Cel" #: qtplugins/crystal/crystal.cpp:63 #, fuzzy msgid "Rotate to Standard &Orientation" msgstr "Draai naar Standaardweergave" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy msgid "Scale Cell &Volume…" msgstr "Schaal Celeenheids&volume…" #: qtplugins/crystal/crystal.cpp:74 #, fuzzy msgid "Build &Supercell…" msgstr "Bouw &Super Cel" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "&Crystal" msgstr "&Crystallography" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Verwijder &Unit Cell" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Voeg toe &Unit Cell" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 #, fuzzy msgid "Wrap atoms into the unit cell." msgstr "Wikkel Atomen om Cel." #: qtplugins/crystal/crystal.cpp:177 #, fuzzy #| msgid "Rotate to Standard Orientation" msgid "Rotate the unit cell to the standard orientation." msgstr "Draai naar Standaardweergave" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "Crystallography" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Lijnkleur:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Teken" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Teken Atoom" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Afstand:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Enkel" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Dubbel" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Drievoudig" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "&Importeren" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "Haal PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Chemische structuur om te downloaden." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Netwerkdownload mislukt" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Netwerk-timeout of andere fout." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Gespecifieerde molecule is niet gevonden: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Haal van PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 #, fuzzy msgid "Optimize Geometry" msgstr "Optimaliseer geometrie" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Stel Krachtveld op" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy #| msgid "Import Selected Atoms" msgid "Freeze Selected Atoms" msgstr "Importeer geseelecteerde atomen" #: qtplugins/forcefield/forcefield.cpp:115 #, fuzzy #| msgid "Fix Selected Atoms" msgid "Unfreeze Selected Atoms" msgstr "Herstel geselecteerde atomen" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "Bereken" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Energie = %L1 %2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield optimization" msgstr "Krachtveld Optimalisatie" #: qtplugins/forcefield/forcefield.h:50 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" msgstr "Krachtveld Optimalisatie" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "GAMESS" msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "GAMESS Input" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "Enkel Punt Energie" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Evenwichts Geometrie" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Frequenties" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Kern Potentiaal" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Water" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Doublet" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Dication" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Cation" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neutraal" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Pas Waterstoffen aan" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Voeg Waterstoffen" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Verwijder Waterstof" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "Waterstoffen" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Waterstoffen" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "Voeg &In" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 #, fuzzy #| msgctxt "Ultra-Violet spectrum" #| msgid "UV" msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 #, fuzzy #| msgid "T" msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "Molecule…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Crystallography…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "voeg Fragment in" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "voeg Fragment in" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Voeg moleculaire fragmenten in om grotere moleculen te bouwen." #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "Kleur:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "Afstand van midden:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Geen" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "Unieke ID" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 #, fuzzy msgid "Atom Label:" msgstr "Atoomlabel:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "Residu label:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Wilt u de voorbeeld tekst updaten en alle wijzigingen verliezen die gemaakt " "zijn in het Gaussiaans input deck voorbeeld venster?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Ondoorzichtigheid:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "Geen beschrijving gevonden!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Aanpassen" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Meet" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Dihedrale hoek:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Hoek:" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "Hoek:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy msgid "&Molecular…" msgstr "&Moleculaire…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 #, fuzzy msgid "&Analysis" msgstr "&Analytisch" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Eigenschappen" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Moleculaire Eigenschappen" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Molecule Eigenschappen" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 #, fuzzy #| msgid "&Export" msgid "Export CSV" msgstr "Exporteren CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 #, fuzzy #| msgid "Could not open file '%1' for writing." msgid "Could not open the file for writing." msgstr "Kan het bestand '%1' niet openen om te schrijven." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy #| msgid "&Export" msgid "Export…" msgstr "Exporteren…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigeren" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Navigatie-tool" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Chemische naam" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "Hoektolerantie:" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 #, fuzzy msgid "Configure Force Field…" msgstr "Stel Krachtveld op" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 #, fuzzy msgid "Perceive Bonds" msgstr "Ruimtegroep Waarnemen" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Voeg Waterstof toe voor pH…" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "Verwijder Waterstof" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Optimaliseer geometrie (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Aantal atomen in obabel output( %1) komt niet overeen met het aantal atomen " "in de originele molecule (%2)." #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Voeg Waterstoffen (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "Voeg Waterstof toe voor pH" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Verwijder Waterstof (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Wilt u de voorbeeld tekst updaten en alle wijzigingen verliezen die gemaakt " "zijn in het OpenMM invoer-deck voorbeeldvenster?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "Referentieassen" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Stop" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "Dynamische bindingen?" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "Exporteer Bitmap Graphics" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "video bestanden (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "Kan het bestand %1 niet opslaan." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 #, fuzzy msgid "Save File" msgstr "Bestand Opslaan" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Valentie" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "Kleur" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Atoom" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Type" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Beëindig Atoom" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "Bindingsvolgorde" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Lengte (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 #, fuzzy msgid "Secondary Structure" msgstr "Secundaire Structuur" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Atoom 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Vertex" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Atoom 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Hoek (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Atoom 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Atoom 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "Helix" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "Helix" #: qtplugins/propertytables/propertymodel.cpp:939 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "Blad" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "Atoom Eigenschappen…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "Bindings Eigenschappen…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Hoek Eigenschappen…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy #| msgid "Torsion Properties" msgid "Torsion Properties…" msgstr "Torsie Eigenschappen…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "Vensters om atoom, bindings, hoek en torsie eigenschappen te tonen." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Eigenschappen" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Atoom Eigenschappen" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Bindings Eigenschappen" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Hoek Eigenschappen" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Torsie Eigenschappen" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Conformer Eigenschappen" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "(QTAIM) Quantumtheorie van atomen in moleculen" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Renderd primitieven door gebruik te maken van QTAIM eigenschappen" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "Centreren" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "Reset" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Selecteer Alles" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Selecteer niets" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Element…" msgstr "Selecteer per Element…" #: qtplugins/select/select.cpp:58 #, fuzzy msgid "Select by Atom Index…" msgstr "Selecteer per Atoom Indices…" #: qtplugins/select/select.cpp:63 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Residue…" msgstr "Selecteer per Residu…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Selecteer" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" msgstr "Selecteer Residu" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "Selecteer" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Selectie" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 #, fuzzy msgid "Perceive Space Group…" msgstr "Ruimtegroep Waarnemen" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Vul Celeenheid…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "Verkleinen naar Asymmetrische Eenheid" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "Space Group" msgstr "Ruimtegroup" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "Internationaal" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "Hal" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:385 #, fuzzy msgid "Select Space Group" msgstr "Selecteer ruimtegroep" #: qtplugins/spacegroup/spacegroup.h:24 #, fuzzy msgid "SpaceGroup" msgstr "Ruimtegroup" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgctxt "colormap" #| msgid "Spectral" msgid "Spectra" msgstr "Spectraal" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "Infrarood" #: qtplugins/spectra/spectradialog.cpp:440 #, fuzzy #| msgctxt "Raman spectrum" #| msgid "Raman" msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 #, fuzzy #| msgid "Electron Density" msgid "Electronic" msgstr "Elektronen" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Selecteer Achtergrond Kleur" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 #, fuzzy #| msgid "Wavenumber (cm-1)" msgid "Wavenumbers (cm⁻¹)" msgstr "Golfnummer (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 #, fuzzy #| msgctxt "colormap" #| msgid "Spectral" msgid "NMR Spectra" msgstr "NMR-Spectraal" #: qtplugins/spectra/spectradialog.cpp:614 #, fuzzy #| msgid "Shift (ppm)" msgid "Chemical Shift (ppm)" msgstr "Shift (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Energie (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Moleculaire orbitaal" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Elektronen Dichtheid" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Create Surfaces" msgid "Create Surfaces…" msgstr "Creëer Oppervlaktes…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 #, fuzzy msgid "Render a molecular orbital." msgstr "Moleculaire orbitaal" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 #, fuzzy msgid "Calculating electron density" msgstr "Berekenen van Elektronen Dichtheid" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Oppervlaktes" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "Groep %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "Vibratie" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "Fout: %1 starten mislukt" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Vorm" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Bewaar invoer…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "voeg Fragment in…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Krachtveld" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Succes!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Cube-bestand laden" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial charge" msgid "Partial Charges" msgstr "gedeeltelijke verandering" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formaat:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Plakken" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Toepassen" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Reset Alles" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Standaarden" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Bestand Opslaan" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Basis Setup" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Titel" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Methode:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Super Cel Opties" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A herhaal:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B herhaal:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C herhaal:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Schaal Celeenheidsvolume" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Bindings Orde:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS Input" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "In:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multipliciteit:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Breedte" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Lading:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "naam" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) #, fuzzy #| msgid "Nucleus:" msgid "Nucleic Acids:" msgstr "Nucleïnezuren:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy #| msgid "G" msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy #| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other" msgid "Other" msgstr "Ander" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Enkel" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Dubbel" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Gebruiksvorm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) #, fuzzy #| msgid "Origin:" msgid "Origin" msgstr "Oorsprong" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Methode" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Number of conformers" msgid "Number of conformers:" msgstr "Aantal conformers:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) #, fuzzy #| msgid "Systematic Rotor Search" msgid "Systematic rotor search" msgstr "Systematisch Rotor Zoeken" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) #, fuzzy #| msgid "Random Rotor Search" msgid "Random rotor search" msgstr "Willekeurige Rotor Zoeken" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) #, fuzzy #| msgid "Weighted Rotor Search" msgid "Weighted rotor search" msgstr "Gewogen Rotor Zoeken" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Stijlste Afdaling" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Krachtveld:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Referentie" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Enkel" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Dubbel" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Beperkingen:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Golflengte:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Width:" msgid "Peak Width:" msgstr "Breedte:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Uitzicht" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Toon" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Importeren" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Zet Kleur..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Geïmorteerde Spectra" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Exporteren..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Achtergrond:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy #| msgid "10e-" msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "Sluiten" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Controls:\n" "Dubbelklikken: Herstel standaard assen limieten\n" "Rechts klikken + slepen: Verplaats Plot\n" "Midden klikken + slepen: Zoom naar de regio\n" "Scrollen : Zoom naar de cursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "Laad data..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Laag" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Medium" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Hoog" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Creëer Oppervlaktes" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Kleur Per:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy #| msgctxt "Electrostatic potential surface type" #| msgid "Electrostatic Potential" msgid "Electrostatic Potential" msgstr "Elektrostatisch Potentiaal" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolutie:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Isooppervlakte cutoff waarde" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " (" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Licht" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Bereken" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molecule" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) #, fuzzy msgid "Coordination:" msgstr "Coördinaten:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "Type:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy #| msgid "Group %1" msgid "Groups" msgstr "Groep" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Group %1" msgid "Group:" msgstr "Groep:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #, fuzzy msgid "Start Animation" msgstr "Start Animatie" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) #, fuzzy msgid "Stop Animation" msgstr "Stop Animatie" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Kristof Bal,Sander Deryckere,Vincent Tijms,ubby, ," "Launchpad Contributions:,Kristof Bal,Sander Deryckere,Vincent Tijms,ubby, ," "Launchpad Contributions:,Kristof Bal,Sander Deryckere, ,Launchpad " "Contributions:,Kristof Bal,Sander Deryckere,Vincent Tijms,ubby, ,Launchpad " "Contributions:,Joostkam,Kristof Bal,Sander Deryckere,Vincent Tijms,ubby, ," "Launchpad Contributions:,Joostkam,Kristof Bal,Sander Deryckere,Vincent Tijms," "arisos,ubby, ,Launchpad Contributions:,Avogadro Team,Joostkam,Kristof Bal," "Sander Deryckere,Vincent Tijms,arisos,ubby, ,Launchpad Contributions:," "Avogadro Team,Joostkam,Kristof Bal,Sander Deryckere,Vincent Tijms,arisos," "ubby, ,Launchpad Contributions:,Avogadro Team,Joostkam,Kristof Bal,Sander " "Deryckere,Vincent Tijms,arisos,ubby, ,Launchpad Contributions:,Avogadro Team," "Ewout De cat,Joostkam,Kristof Bal,Sander Deryckere,Vincent Tijms,arisos," "ubby, ,Launchpad Contributions:,Avogadro Team,Ewout De cat,Joostkam,Kristof " "Bal,Sander Deryckere,Vincent Tijms,Willem Sonke, ,Launchpad Contributions:," "Avogadro Team,Ewout De cat,Joostkam,Kristof Bal,Sander Deryckere,Vincent " "Tijms,Willem Sonke, ,Launchpad Contributions:,Avogadro Team,Ewout De cat," "Joostkam,Kristof Bal,Maarten van Druten,Sander Deryckere,Vincent Tijms," "Willem Sonke,Koen Roggemans" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,kristof.bal@gmail.com,sanderd17@gmail.com,vincent_tijms@zonnet.nl,,,," "kristof.bal@gmail.com,sanderd17@gmail.com,vincent_tijms@zonnet.nl,,,,kristof." "bal@gmail.com,sanderd17@gmail.com,,,kristof.bal@gmail.com,sanderd17@gmail." "com,vincent_tijms@zonnet.nl,,,,,kristof.bal@gmail.com,sanderd17@gmail.com," "vincent_tijms@zonnet.nl,,,,,kristof.bal@gmail.com,sanderd17@gmail.com," "vincent_tijms@zonnet.nl,,,,,avogadro-devel@lists.sourceforge.net,,kristof." "bal@gmail.com,sanderd17@gmail.com,vincent_tijms@zonnet.nl,,,,,avogadro-" "devel@lists.sourceforge.net,,kristof.bal@gmail.com,sanderd17@gmail.com," "vincent_tijms@zonnet.nl,,,,,avogadro-devel@lists.sourceforge.net,,kristof." "bal@gmail.com,sanderd17@gmail.com,vincent_tijms@zonnet.nl,,,,,avogadro-" "devel@lists.sourceforge.net,,,kristof.bal@gmail.com,sanderd17@gmail.com," "vincent_tijms@zonnet.nl,,,,,avogadro-devel@lists.sourceforge.net,,,kristof." "bal@gmail.com,sanderd17@gmail.com,vtijms@gmail.com,,,,avogadro-devel@lists." "sourceforge.net,,,kristof.bal@gmail.com,sanderd17@gmail.com,vtijms@gmail." "com,,,,avogadro-devel@lists.sourceforge.net,,,kristof.bal@gmail.com,m." "vandruten@smoose.nl,sanderd17@gmail.com,vtijms@gmail.com," #, fuzzy #~| msgid "Partial charge" #~ msgid "Partial Charge" #~ msgstr "gedeeltelijke verandering" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animatie" #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals (AO)" #, fuzzy #~ msgid "Geometry" #~ msgstr "Geometrie" #~ msgid "Add Unit Cell" #~ msgstr "Voeg Unit Cell toe" #~ msgid "By Atomic Index" #~ msgstr "Op atoomindex" #~ msgid "By Distance" #~ msgstr "Op afstand" #, fuzzy #~| msgid "Molecule Charge:" #~ msgid "Molecule Name:" #~ msgstr "Molecule Lading:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molecule Gewicht (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Chemische Formule:" #~ msgid "Number of Atoms:" #~ msgstr "Aantal Atomen:" #~ msgid "Number of Bonds:" #~ msgstr "Aantal bindingen:" #~ msgid "TODO" #~ msgstr "TODO" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Sprong grootte:" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "Optimalisatie" #~ msgid "In." #~ msgstr "In." #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragmenteer…" #~ msgid "Other..." #~ msgstr "Ande..." #~ msgid "Filename" #~ msgstr "Bestandsnaam" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Structuur:" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navigeren" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navigeren" #~ msgid "OK" #~ msgstr "OK" #~ msgid "Cancel" #~ msgstr "Annuleren" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Element naam" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Alle bestanden" #, fuzzy #~| msgid "Dihedral:" #~ msgid "octahedral" #~ msgstr "Dihedrale hoek:" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molecule" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Geen molecule geset" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS" #, fuzzy #~ msgid "Crystal..." #~ msgstr "&Crystallography" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Voeg Waterstof toe voor pH..." #~ msgid "Atom Properties..." #~ msgstr "Atoom Eigenschappen..." #~ msgid "Bond Properties..." #~ msgstr "Bindings Eigenschappen..." #~ msgid "Angle Properties..." #~ msgstr "Hoek Eigenschappen..." #~ msgid "Torsion Properties..." #~ msgstr "Torsie Eigenschappen..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Molecule Eigenschappen..." #~ msgid "Create Surfaces..." #~ msgstr "Creëer Oppervlakten..." #~ msgid "Insert Fragment..." #~ msgstr "Voeg Fragment in..." #~ msgid "Theory:" #~ msgstr "Theorie:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Afstand (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Roteerbaar" #, fuzzy #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "Conformer %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "Conformer %1" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Hoek %1" #, fuzzy #~ msgid "Angle" #~ msgstr "Hoek:" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "Conformer %1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsie %1" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "Energie (kJ/mol)" #~ msgid "Yes" #~ msgstr "Ja" #~ msgid "No" #~ msgstr "Nee" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Input Generator..." #, fuzzy #~ msgid "Import" #~ msgstr "Importeren" #~ msgid "Insert SMILES" #~ msgstr "voeg SMILES in" #~ msgid "Insert SMILES fragment:" #~ msgstr "voeg SMILES fragment in:" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "&Crystallography" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "voeg moleculaire fragmenten in om grotere moleculen te bouwen" #~ msgid "E&xtensions" #~ msgstr "E&xtensies" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimaliseer geometrie" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometrie Optimalisation" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Voeg Waterstoffen" #, fuzzy #~ msgid "Stopped" #~ msgstr "Stop" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Oppervlaktes" #~ msgid "Color by Index" #~ msgstr "Kleur per index" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Kleur per index (rood, oranje, geel, groen, blauw, violet)." #~ msgid "Color by Partial Charge" #~ msgstr "Kleur per Gedeeltelijke Lading" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Kleur door atomische gedeeltelijke lading (blauw = positief, rood = " #~ "nagatief)." #~ msgid "Custom Color:" #~ msgstr "Aangepaste Kleur:" #~ msgid "Set custom colors for objects" #~ msgstr "Stel aangepaste kleuren in voor objecten" #~ msgid "Color by Distance" #~ msgstr "Kleur door afstand" #~ msgid "Color by distance from the first atom." #~ msgstr "Kleur door afstand van het eerste atoom" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Kleur door element (Koolstof = grijs, zoorstof = rood, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Kleur per Residu (aminozuur, hydrofobiteit, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS Patroon:" #~ msgid "Highlight Color:" #~ msgstr "Accentuatiekleur:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Kleur pet SMARTS Patroon" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Markeer particuliere functies die aan een SMARTS patroon voldoen." #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "" #~ "Copy text \n" #~ " Ununoctium" #~ msgid "Engines" #~ msgstr "Engines" #~ msgid "Axes" #~ msgstr "Assen" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "" #~ "Geef primitieven weer door Bollen (atomen) en Stokjes (bindingen) te " #~ "gebruiken" #~ msgid "Hydrogen Bond" #~ msgstr "Waterstofbrug" #~ msgid "Renders hydrogen bonds" #~ msgstr "Maakt waterstofbruggen aan" #~ msgid "Select Atom Labels Color" #~ msgstr "Selecteer Atoom Labels Kleur" #~ msgid "Select Bond Labels Color" #~ msgstr "Selecteer Binding Labels Kleur" #~ msgid "Select Bond Labels Font" #~ msgstr "Selecteer Bindings Labels Lettertype" #~ msgid "Polygon" #~ msgstr "Veelhoek" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Geef atomen als tetraeders, octaeders en andere veelhoeken weer" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Geef proteïne hoofdketens als lintjes weer" #~ msgid "Ring" #~ msgstr "Ring" #~ msgid "Renders rings with colored planes" #~ msgstr "Geef ringen met gekleurde vlakken weer" #~ msgid "Simple Wireframe" #~ msgstr "Eenvoudig Wireframe" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "" #~ "Geef bindingen als draden (lijnen) weer, ideaal voor grote moleculen" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waals Bollen" #~ msgid "Stick" #~ msgstr "Stok" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Elektrondichtheid, isosurface = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, iso-oppervlakte= %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Geef bindingen als draden (lijnen) weer, ideaal voor zeer grote " #~ "(bio)moleculen" #~ msgid "Trajectory files" #~ msgstr "Traject bestanden" #~ msgid "DL-POLY HISTORY files" #~ msgstr "DL-POLY HISTORY bestanden" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr ".avi extensie aan het toevoegen" #~ msgid "Animation..." #~ msgstr "Animatie..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Kan het bestandsformaat van het bestand %1 niet lezen." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Lezen baanbestand %1 mislukt." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Een geldige .avi bestandsnaam moet gespecifieerd worden" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "Het GL widget was niet correct geïnitialiseerd om video op te slaan" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "Ongeldige vidoe bestandsnaam. Het volledige pad moet gegeven worden" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Ongeldige bestandsnaam. Het volledige pad moet gegeven worden, ook de .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Kon het format van het bestandsnaam niet bepalen: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animeer tracecten, reacties en vibraties" #~ msgid "Cartesian Editor" #~ msgstr "Cartesiaanse Editor" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Geen eenheidscel gedefinieerd voor molecule - kan geen gebruik maken van " #~ "de fractionele coördinaten." #~ msgid "Cartesian Editor..." #~ msgstr "Cartesiaanse Bewerker..." #~ msgid "Cartesian editor" #~ msgstr "Cartesiaanse editor" #~ msgid "Number of atoms: %1" #~ msgstr "Aantal atomen: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Aantal roteerbare bindingen: %1" #~ msgid "Add constraint" #~ msgstr "Voeg beperking toe" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Je molecule moet minimum één atoom bevatten om een beperking te mogen " #~ "toevoegen" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Je molecule moet minimum twee atomen bevatten om een bindingsbeperking te " #~ "mogen toevoegen" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Je molecule moet minimum drie atomen bevatten om een hoek beperking te " #~ "mogen toevoegen" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Je molecule moet minimum vier atomen bevatten om een torsie beperking toe " #~ "te voegen" #~ msgid "&Reduce" #~ msgstr "&Reduce" #~ msgid "Show &Editors" #~ msgstr "Toon &Editors" #~ msgid "Hide &Property Display" #~ msgstr "Verberg &Eigenschappen Scherm" #~ msgid "Show &Property Display" #~ msgstr "Toon &Eigenschappen Scherm" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Lattice Type: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Ruimtegroep: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Unit cell volume: %L1%2" #~ msgid "Undefined" #~ msgstr "Ongedefinieerd" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Kristallografie" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Orthorhombische" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Zeshoekig" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Kubiek" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Niggli reductie is mislukt. De ingang structuur van het framework brengt " #~ "het Niggli reductie algoritme in de war.\n" #~ "Probeer daarom een kleine storing aan de ingang van het framework te " #~ "creëren (ongeveer 2 ordes van grootte minder dan wat hij kan verdragen) " #~ "en probeer het opnieuw." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Gefaald om cel na 1000 pogingen van het verkleiningsalgoritme te " #~ "verkleinen. Taak afbreken." #~ msgid "&Slab..." #~ msgstr "&Slab..." #~ msgid "Set Spacegroup" #~ msgstr "Verander Ruimtegroep" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Voor dit document is geen ruimtegroep toegewezen.\n" #~ "\n" #~ "Wilt u nu een ruimtegroep toewijzen?" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Verklein naar Niggli Cell" #~ msgid "Trajectory..." #~ msgstr "Traject..." #~ msgid "Open chemical file format" #~ msgstr "Open chemisch bestandsformaat" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Chemische bestanden (*.xyz)" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Chemische bestanden (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importeer Traject" #~ msgid "Import trajectory files" #~ msgstr "Importeer traject bestanden" #~ msgid "Calculate Energy" #~ msgstr "Bereken Energie" #~ msgid "Constraints..." #~ msgstr "Constraints..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Kan het huidig geselecteerde krachtveld voor deze molecule niet " #~ "instellen. UFF instellen als alternatief." #~ msgid "ForceField" #~ msgstr "Krachtveld" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimaliseer molecules en genereer conformers die moleculaire " #~ "krachtvelden gebruiken" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Change H to Methyl" #~ msgstr "Wijzig H naar Methyl" #~ msgid "H to Methyl" #~ msgstr "H naar Methyl" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transformeer waterstof naar methyl groepen" #~ msgid "Add or remove hydrogens" #~ msgstr "Voeg waterstoffen toe of verwijder ze" #~ msgid "Peptide..." #~ msgstr "Peptide..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Voeg oligopeptide sequenties in" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Geschatte Dipool Moment (D):" #~ msgid "Fetch from URL..." #~ msgstr "Haal vanURL..." #~ msgid "PDB Entry" #~ msgstr "PDB Entry" #~ msgid "PDB entry to download." #~ msgstr "PDB entry om te downloaden." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL van de te downloaden molecule." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Gespecifieerde molecule kon niet geladen worden: %1" #~ msgid "Network Fetch" #~ msgstr "Netwerk Ophalen" #~ msgid "Fetch molecule files over the network." #~ msgstr "Haal molecules op over het netwerk" #~ msgid "Show Preview" #~ msgstr "Toon Voorbeeld" #~ msgid "Hide Preview" #~ msgstr "Verberg Voorbeeld" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Sla met POV-Ray gemaakt beeld op" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Beeld bestand (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Geen geldige bestandsnaam is voorzien." #~ msgid "Does not compute." #~ msgstr "Berekend niet." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Je hebt gevraagd om de resultaten van POV-Ray niet direct weer te geven " #~ "en om het POV-Ray bestand niet op te slaan. Dit zal resulteren in een " #~ "berekening waarbij er geen output opgeslaan wordt. Ben je zeker dat je " #~ "dit wilt?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "Kan bestand %1 niet beschrijven. Heb je toegang tot die locatie?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray start is gefaald." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray start is gefaald. Misschien is het pad naar het uitvoerbaar " #~ "bestand verkeer gezet." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Creëer POV-Ray bestanden en geef ze weer door het POV-Ray programma via " #~ "de command line te gebruiken." #~ msgid "Conformer Properties..." #~ msgstr "conformer Eigenschappen..." #~ msgid "Python Terminal" #~ msgstr "Python Terminal" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "interactieve python scripting terminal" #~ msgid "QM Matches" #~ msgstr "QM Overeenkomsten" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP Selectie..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM Selectie..." #~ msgid "Delete" #~ msgstr "Delete" #~ msgid "You must make a selection!" #~ msgstr "Maak eens een selectie, anders kan ik niet veel doen ;-)" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES Conversie Onbeschikbaar" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES Conversie Onbeschikbaar" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Creëer input bestanden voor het GAMESS quantum chemistry pakket" #~ msgid "Advanced Settings Changed" #~ msgstr "Geavanceerde Instellingen Gewijzigd" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Geavanceerde instellingen zijn gewijzigd\n" #~ "Verwerpen?" #~ msgid "Advanced Settings Reset" #~ msgstr "Reset Geavanceerde Instellingen" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Ben je zeker dat je de geavanceerde instellingen wil resetten?\n" #~ "Alle wijzigingen zullen verloren gaan!" #~ msgid "Basic Settings Reset" #~ msgstr "Reset Basis Instellingen" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Ben je zeker dat je de basis instellingen wil resetten?\n" #~ "Alle wijzigingen zullen verloren gaan." #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussiaana Input Deck Generator Waarschuwing" #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussiaans Input Deck" #~ msgid "Gaussian Running." #~ msgstr "Gaussian Bezig." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian is al bezig. Dat arm beestje van een computer niet opjagen é." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian is niet Geïnstalleerd." #~ msgid "The G03 executable, cannot be found." #~ msgstr "Het uitvoerbaar G03 bestand, kan niet gevonden worden." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 is niet gestart. Misschien is het niet correct geïnstalleerd." #~ msgid "Running Gaussian calculation..." #~ msgstr "Bezig met Gaussiaanse berekening..." #~ msgid "G03 Crashed." #~ msgstr "G03 Crashed." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian is niet correct gestart. Misschien is het niet correct " #~ "geïnstalleerd." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC Input Waarschuwing" #~ msgid "MOPAC Running." #~ msgstr "MOPAC Bezig." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC is al bezig. Ge moet je computertje zo niet opjagen." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC is niet geïnstalleerd" #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Het uitvoerbaar MOPAC bestand is niet gevonden." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC is niet gestart. Misschien is het niet correct geïnstalleerd." #~ msgid "Running MOPAC calculation..." #~ msgstr "Bezig met MOPAC berekening..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC is Gecrashed." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC liep niet zoals het moest. Misschien is het niet correct " #~ "geïnstalleerd." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "NWChem Input Deck Generator Waarschuwing" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Wilt u de voorbeeld tekst updaten en alle wijzigingen verliezen die " #~ "gemaakt zijn in het NWChem input deck voorbeeld venster?" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem Input Deck Generator Waarschuwing" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Wilt u de voorbeeld tekst updaten en alle wijzigingen verliezen die " #~ "gemaakt zijn in het Q-Chem input deck voorbeeld venster?" #~ msgid "Select SMARTS..." #~ msgstr "Selecteer SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Voeg Benoemde Selectie toe" #~ msgid "SMARTS Selection" #~ msgstr "SMARTS Selectie" #~ msgid "SMARTS pattern to select" #~ msgstr "SMARTS patroon om te selecteren" #~ msgid "There is no current selection." #~ msgstr "Er is geen huidige selectie" #~ msgid "Add Named Selection" #~ msgstr "Voeg benoemde selectie toe" #~ msgid "Name cannot be empty." #~ msgstr "Het naam vak mag niet leeg zijn." #~ msgid "There is already a selection with this name." #~ msgstr "Er is al een selectie met deze naam." #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Selecteer atomen, bindingen, residuen..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL Shaders..." #~ msgid "Open a vertex shader source file" #~ msgstr "Open een vertex shader bronbestand" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Vertex shader bestanden (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Open een fragment shader bronbestand" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fragment shader bestanden (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Open een shader parameters bestand" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Shader parameters bestanden (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL Shaders" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Laad en gebruik OpenGL 2.0 GLSL shaders" #~ msgid "Intensity (arb. units)" #~ msgstr "intensiteit (arb. eenh.)" #~ msgid "Transmittance (%)" #~ msgstr "Doorlaatbaarheid (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbatie (%)" #~ msgid "No intensities" #~ msgstr "Geen intenties" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "De Vibratie data in de molecule die je geladen hebt bevat geen " #~ "intensiteit data. De intensiteiten werden gezet naar een arbitraire " #~ "waarde voor visualisatie." #~ msgid "Activity" #~ msgstr "Activiteit" #~ msgid "X Axis" #~ msgstr "X As" #~ msgid "Y Axis" #~ msgstr "Y As" #~ msgid "&Infrared Spectra Settings" #~ msgstr "&Infrarood Spectra instellingen" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "&NMR Spectra instellingen" #~ msgid "&Raman Settings" #~ msgstr "&Raman Instellingen" #~ msgid "No data" #~ msgstr "Geen Data" #~ msgid "Dark" #~ msgstr "Donker" #~ msgid "Publication" #~ msgstr "Publicatie" #~ msgid "Handdrawn" #~ msgstr "Handgetekend" #~ msgid "New Scheme" #~ msgstr "Nieuw Schema" #~ msgid "Confirm Scheme Removal" #~ msgstr "Bevestig Schema Verwijdering" #~ msgid "Really remove current scheme?" #~ msgstr "Wil je echt het huidige schema verwijderen?" #~ msgid "Change Scheme Name" #~ msgstr "Wijzig Schema Naam" #~ msgid "Enter new name for current scheme:" #~ msgstr "Voeg een nieuwe naam toe aan het huidige schema" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Tab Separated Values (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Tab gescheiden waarden" #~ msgid "Comma Separated Values" #~ msgstr "Comma Separated Values" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Onbekende extentie: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR data (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomole IR data (control)" #~ msgid "Data Format" #~ msgstr "Data Formaat" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Formaat:" #~ msgid "Load Spectral Data" #~ msgstr "laad Spectraal Data" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Getagged beeld Bestandsformaat" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "Sla Spectra Beeld op" #~ msgid "&Spectra..." #~ msgstr "&Spectra..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Visualiseer spectraal data van kwantum chemie berekeningen" #~ msgid "No vibrational displacements exist." #~ msgstr "Er bestaat geen vibrationele verplaatsing." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Visualiseer vibrationele modes van kwantum chemische berekeningen" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Sorteer %1 vibraties per frequentie..." #~ msgid "Super Cell Builder..." #~ msgstr "Super Cel Bouwer..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Dit document is momenteel een geïsoleerde molecule. Je moet een cel-" #~ "eenheid creëren." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Bouw en Toon krystallografische super cellen" #~ msgid "Orbitals" #~ msgstr "Orbitalen" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Elektronen Dichtheid" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Fout - ongedefinieerd type" #~ msgid "Calculating VdW Cube" #~ msgstr "Berekenen van VdW Kubus" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "MO berekenen %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "GL widget is niet correct geïnitialiseerd om een video te maken" #~ msgid "GL widget has no molecule" #~ msgstr "GL widget heeft geen molecule" #~ msgid "Building video " #~ msgstr "Video maken " #~ msgid "Could not run mencoder." #~ msgstr "Kon mencoder niet starten." #~ msgid "Set Aspect Ratio" #~ msgstr "Aspectverhouding instellen" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "De huidige Avogadro scene is %1x%2 pixels groot, En heeft dus een aspect " #~ "ratio %3.\n" #~ "Je mag deze waarde behouden, als u bijvoorbeeld POV-Ray wilt gebruiken\n" #~ "om een afbeelding van %4x1000 pixels te maken, of je mag een andere " #~ "positieve waarde ingeven,\n" #~ "bijvoorbeeld 1als je POV-Ray wilt gebruiken om een vierkante afbeelding " #~ "te produceren van bijvoorbeeld 1000x1000 pixels." #~ msgid "Connect" #~ msgstr "Verbinden" #~ msgid "Disconnect" #~ msgstr "Verbinding verbreken" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Wii Tracking" #~ msgid "Track motion using Wii remotes" #~ msgstr "Volg beweging door Wii remotes te gebruiken" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Ongeldige OpenGL context.\n" #~ "Ofwel is er iets totaal gebroken in je OpenGL setup (kan je een andere " #~ "OpenGL applicatie uitvoeren?), of je hebt een bug gevonden." #~ msgid "Debug Information" #~ msgstr "Debug informatie" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Beeld Grootte: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Atomen :%L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: index %1 te groot." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Het bestandstype '%1' is niet ondersteund." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Het bestandstype van bestand '%1' is niet ondersteund." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Het lezen van molecule met index %1 van bestand '%2' is mislukt." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "replaceMolecule: index %1 te groot." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Het bestandstype '%1' is niet ondersteund." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Het bestandstype van bestand '%1' is niet ondersteund." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Kan het bestand '%1' niet openen om te lezen." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Vervangen van molecule met index %1 in het bestand '%2' is mislukt." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Bestand '%1' kan niet geopend worden om te lezen." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Bestand '%1' kan niet geopend worden om te schrijven." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Opslaan van het molecule bestand is gefaald - kon het oorspronkelijke " #~ "bestand niet hernoemen." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Opslaan van het moleculaire bestand gefaald - kon het nieuwe bestand niet " #~ "hernoemen." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Opslaan van het moleculaire bestand gefaald - kon het oude bestand niet " #~ "verwijderen." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "Molecule schrijven naar '%1' gefaald. OpenBabel functie gefaald." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Bestand %1 kon niet geopend worden om te schrijven." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Conformers schrijven naar bestand '%1' mislukt." #~ msgid "Molecule %1" #~ msgstr "Molecule %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Onbekende Python Engine" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: controleren " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - script heeft geen 'Engine' klasse gedefinieerd" #~ msgid " - no module" #~ msgstr " - geen module" #~ msgid "Unknown Python Extension" #~ msgstr "Onbekende Python Extensie" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: Controleren " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - script heeft geen 'Extension' klasse gedefinieerd" #~ msgid "Unknown Python Tool" #~ msgstr "Onbekende Python Tool" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: controleren " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - script heeft geen 'Tool' klasse gedefinieerd" #~ msgid "Tools" #~ msgstr "Tools" #~ msgid "Align:" #~ msgstr "Uitlijning:" #~ msgid "Everything" #~ msgstr "Alles" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Kon het krachtveld niet instellen...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Steps per Update:" #~ msgstr "Stappen per Update:" #~ msgid "Algorithm:" #~ msgstr "Algoritme" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Moleculaire Dynamica (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Moleculaire Dynamica (900K)" #~ msgid "Start" #~ msgstr "Start" #~ msgid "Fixed atoms are movable" #~ msgstr "Gefixeerde atomen zjin beweegbaar" #~ msgid "Ignored atoms are movable" #~ msgstr "Genegeerde atomen zijn beweegbaar" #~ msgid "AutoOpt Molecule" #~ msgstr "AutoOpt Molecule" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Automatische optimalisatie van de moleculaire geometrie" #~ msgid "AutoOptimization Settings" #~ msgstr "AutoOptimalisatie Instellingen" #~ msgid "Auto Rotation Tool" #~ msgstr "Gereedschap voor Automatische Rotatie" #~ msgid "x rotation:" #~ msgstr "x-rotatie:" #~ msgid "x rotation" #~ msgstr "x-rotatie" #~ msgid "y rotation:" #~ msgstr "y-rotatie:" #~ msgid "y rotation" #~ msgstr "y-rotatie" #~ msgid "z rotation:" #~ msgstr "z-rotatie:" #~ msgid "z rotation" #~ msgstr "z-rotatie" #~ msgid "Automatic rotation of molecules" #~ msgstr "Automatische rotatie van de moleculen" #~ msgid "AutoRotate Settings" #~ msgstr "AutoRotatie Instellingen" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Bindings Lengte: %L1" #~ msgid " Show Angles" #~ msgstr " Toon hoeken" #~ msgid "Bond Centric Manipulate" #~ msgstr "Binding-centrische manipulatie" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulatie van bindingslengte, hoek en torso" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Binding-centrische manipulatie Instellingen" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Afstand (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Afstand (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Dihedrale Hoek: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Afstand(en):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Meet bindingslengtes, hoeken en diheralen" #~ msgid "Draw Bond" #~ msgstr "Teken Binding" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Teken en bewerk atomen en bindingen" #~ msgid "Draw Settings" #~ msgstr "Teken Instellingen" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Verschuif, roteer en wijzig atomen en fragmenten" #~ msgid "Manipulate Settings" #~ msgstr "Manipuleer instellingen" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Verschuif, roteer en zoom rond het huidige zicht" #~ msgid "Navigate Settings" #~ msgstr "Navigeer Instellingen" #~ msgid "Selection Mode:" #~ msgstr "Selectie Mode:" #~ msgid "Atom/Bond" #~ msgstr "Atoom/Binding" #~ msgid "Residue" #~ msgstr "Residu" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Selecteer Atomen, residuen en moleculen" #~ msgid "Symbol" #~ msgstr "Symbool" #~ msgid "Bond Length" #~ msgstr "Bindingslengte" #~ msgid "Dihedral Angle" #~ msgstr "Dihedrale Hoek" #~ msgid "Z Matrix Editor..." #~ msgstr "Z Matrix Editor..." #~ msgid "Z-Matrix" #~ msgstr "Z-Matrix" #~ msgid "Create/edit a z-matrix" #~ msgstr "Creëer/bewerk een z-matrix" #~ msgid "Z-Matrix Settings" #~ msgstr "Z-Matrix Instellingen" #~ msgid "Color residues by:" #~ msgstr "Kleur residuen per:" #~ msgid "Hydrophobicity" #~ msgstr "Hydrofobiteit" #~ msgid "Atom Radius:" #~ msgstr "Atoom Straal:" #~ msgid "Bond Radius:" #~ msgstr "Bindingsstraal:" #~ msgid "Shape" #~ msgstr "Vorm" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Lus" #~ msgid "Dipole:" #~ msgstr "Dipool" #~ msgid "Cut-off radius:" #~ msgstr "Afbreek-straal:" #~ msgid "Cut-off angle:" #~ msgstr "Afbreek-hoek:" #~ msgid "Symbol & Atom number" #~ msgstr "Symbool- en atoomnummer" #~ msgid "Residue number" #~ msgstr "Residu nummer" #~ msgid "Bond length" #~ msgstr "Bindings lengte" #~ msgid "Bond number" #~ msgstr "Bindings nummer" #~ msgid "Bond order" #~ msgstr "Bindingsorde" #~ msgid "Radius:" #~ msgstr "Straal" #~ msgid "Include Nitrogens" #~ msgstr "Stikstof tonen" #~ msgid "VdW Opacity:" #~ msgstr "VdW-dekking:" #~ msgid "Orbital:" #~ msgstr "Orbitaal:" #~ msgid "Fill" #~ msgstr "Vul" #~ msgid "Points" #~ msgstr "Punten" #~ msgid "Draw Box:" #~ msgstr "Teken Box:" #~ msgid "Positive" #~ msgstr "Positief" #~ msgid "Negative" #~ msgstr "Negatief" #~ msgid "Show Atoms" #~ msgstr "Toon Atomen" #~ msgid "Animate Trajectory" #~ msgstr "Animeer Baan" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Herhaling" #~ msgid "Save as .avi..." #~ msgstr "Opslaan als .avi..." #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "Number of atoms:" #~ msgstr "Aantal atomen:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Aantal roteerbare bindingen:" #~ msgid "Ignore Atom" #~ msgstr "Negeer Atoom" #~ msgid "Fix Atom" #~ msgstr "Herstel Atoom" #~ msgid "Fix Atom X" #~ msgstr "Herstel Atoom X" #~ msgid "Fix Atom Y" #~ msgstr "Herstel Atoom Y" #~ msgid "Fix Atom Z" #~ msgstr "Herstel Atoom Z" #~ msgid "Torsion angle" #~ msgstr "Torsie hoek" #~ msgid "Add" #~ msgstr "Toevoegen" #~ msgid "Save" #~ msgstr "Opslaan" #~ msgid "Load" #~ msgstr "Laden" #~ msgid "Cartesian" #~ msgstr "Cartesiaans" #~ msgid "All" #~ msgstr "Alle" #~ msgid "File Import..." #~ msgstr "Importeer Bestand..." #~ msgid "Setup Force Field" #~ msgstr "Stel Krachtveld In" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Aantal stappen" #~ msgid "Algorithm" #~ msgstr "Algorithme" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Arginine" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Asparagine" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "Aspartinezuur" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Cysteine" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "Glutaminezuur" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Glutamine" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Glycine" #~ msgid "Gly" #~ msgstr "Gly" #~ msgid "Histidine" #~ msgstr "Histidine" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "Isoleucine" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyr" #~ msgstr "Tyr" #~ msgid "Tryptophan" #~ msgstr "Tryptophan" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "Threonine" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "Serine" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Proline" #~ msgid "Phenylalanine" #~ msgstr "Fenylalanine" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "Methionine" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Lysine" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "Leucine" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "Sequentie (N naar C):" #~ msgid "Stereochemistry:" #~ msgstr "Stereochemie:" #~ msgid "L" #~ msgstr "L" #~ msgid "N Terminus:" #~ msgstr "N Terminus:" #~ msgid "C Terminus:" #~ msgstr "C Terminus:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Straight Chain" #~ msgstr "Rechte Keten" #~ msgid "Alpha Helix" #~ msgstr "Alfa Helix" #~ msgid "Beta Sheet" #~ msgstr "Beta Blad" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "Chain Number:" #~ msgstr "Ketting Nummer:" #~ msgid "The chain number for the new peptide" #~ msgstr "Het Kettingnummer voor de nieuwe peptide" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Aantal Residuen" #~ msgid "Dipole Moment (D):" #~ msgstr "Dipool Moment (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Geavanceerd" #~ msgid "Grid" #~ msgstr "Rooster" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray Export" #~ msgid "Select..." #~ msgstr "Selecteer..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Set the background color to be transparent" #~ msgstr "Zet de achtergrondkleur transparant" #~ msgid "Alpha transparency" #~ msgstr "Alfa transpirantie" #~ msgid "Path:" #~ msgstr "Pad" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Compute..." #~ msgstr "Bereken..." #~ msgid "HF" #~ msgstr "HF" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EFP Matches" #~ msgstr "EFP Overeenkomsten" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "Ge&avanceerde Setup" #~ msgid "Hessian" #~ msgstr "Hessiaan" #~ msgid "Stat Point" #~ msgstr "Stat Punt" #~ msgid "System" #~ msgstr "Systeem" #~ msgid "MO Guess" #~ msgstr "MO Gok" #~ msgid "Misc" #~ msgstr "Misc" #~ msgid "Read" #~ msgstr "Lees" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP Type:" #~ msgid "Default" #~ msgstr "Standaard" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Zware Atoom Polarisatie Functies:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#lichte Atoom Polarisatie Functies:" #~ msgid "Polar:" #~ msgstr "Polair:" #~ msgid "Gradient" #~ msgstr "Gradient" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Gradient Extremum" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Finite Electric Field" #~ msgstr "Eindig Elektrisch Veld" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Globale Optimalisatie" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO Optimalisatie" #~ msgid "Raman Intensities" #~ msgstr "Raman Intensiteit" #~ msgid "Make EFP" #~ msgstr "Maak EFP" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Geen (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF Type:" #~ msgid "Localization Method:" #~ msgstr "Localisatie Methode:" #~ msgid "Exec Type:" #~ msgstr "Exec Type:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinant" #~ msgid "CI Singles" #~ msgstr "CI Singels" #~ msgid "Full Second Order CI" #~ msgstr "Volledige Tweede Orde CI" #~ msgid "General CI" #~ msgstr "Algemene CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Gelineariseerde CC" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Normale Uitvoering" #~ msgid "Check" #~ msgstr "Controle" #~ msgid "Debug" #~ msgstr "Debug" #~ msgid "Run Type:" #~ msgstr "Run Type:" #~ msgid "Use MP2" #~ msgstr "Gebruik MP2" #~ msgid "Use DFT" #~ msgstr "Gebruik DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# Z-Matrix Variabelen" #~ msgid "Order of Principal Axis:" #~ msgstr "Orde van de Hoofdassen:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Unieke cartesische Coördinaten" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Gebruik Symmetrie tijdens Berekeningen" #~ msgid "Minutes" #~ msgstr "Miinuten" #~ msgid "Hours" #~ msgstr "Uren" #~ msgid "Days" #~ msgstr "Dagen" #~ msgid "Weeks" #~ msgstr "Weken" #~ msgid "Years" #~ msgstr "Jaren" #~ msgid "Millenia" #~ msgstr "Millenia" #~ msgid "MegaWords" #~ msgstr "MegaWoorden" #~ msgid "MegaBytes" #~ msgstr "MegaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Forceer Parallelle Methoden" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Geheugen:" #~ msgid "Diagonalization Method:" #~ msgstr "Diagonalisatie Methode:" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Gebruik Externe Data Representatie voor Berichten" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO Lees ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO Opgeslagen (DICTNRY)" #~ msgid "Skip" #~ msgstr "Overslaan" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Roteer Alfa en Beta Orbitalen" #~ msgid "Print the Initial Guess" #~ msgstr "Toon de Begin Gok" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "GAMESS Interface naar Andere Codes" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Forceer een Check Run Type" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK Version)" #~ msgid "Solvate with Water" #~ msgstr "Solveer met water" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Genereer UHF Natuurlijke Orbitalen" #~ msgid "Direct SCF" #~ msgstr "Direct SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Bereken Enkel Gewijzigde in Fock Matrix" #~ msgid "Slater exchange" #~ msgstr "Slater exchange" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 exchange" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr correlatie" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater uitwisseling + VWN correlatie" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE uitwisseling + VWN5 correlatie" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE uitwisseling + LYP correlatie" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill 1996 uitwisseling" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof (PBE) uitwisseling" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: Eén-parameter Progressieve correlatie" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr (LYP) correlatie" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP correlatie" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE exchange + OP correlatie" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL exchange + VWN5 correlatie" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL exchange + LYP correlatie" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE exchange + VWN6 correlatie" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE exchange +LYP correlatie" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE exchange + OP correlatie" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF and BECKE exchange + LYP correlatie" #~ msgid "Grid-Free" #~ msgstr "Rooster-Vrij" #~ msgid "Duplicated on Each Node" #~ msgstr "Gedupliceerd op Iedere Knoop" #~ msgid "Distributed Across All Nodes" #~ msgstr "Verdeeld over Alle Knopen" #~ msgid "words" #~ msgstr "Woorden" #~ msgid "Compute MP2 Properties" #~ msgstr "Bereken MP2 Eigenschappen" #~ msgid "Use Localized Orbitals" #~ msgstr "Gebruik Gelocaliseerde Orbitalen" #~ msgid "# of Core Electrons:" #~ msgstr "# Kern Elektronen:" #~ msgid "Two Phase Bin Sort" #~ msgstr "Twee Fase Bin Sortering" #~ msgid "Segmented Transformation" #~ msgstr "Segment Transformatie" #~ msgid "Numeric" #~ msgstr "Numeriek" #~ msgid "Displacement Size:" #~ msgstr "Verplaatsings Grootte:" #~ msgid "Purify Hessian" #~ msgstr "Verproper Hessiaan" #~ msgid "bohrs" #~ msgstr "bohr" #~ msgid "Initial Hessian" #~ msgstr "Initieele Hessiaan" #~ msgid "Guess (+ define)" #~ msgstr "Gok (+definieer)" #~ msgid "Read (from $HESS)" #~ msgstr "Lees (van $HESS)" #~ msgid "Update Step Size" #~ msgstr "Update Stap Grootte" #~ msgid "Stationary Point" #~ msgstr "Stationair Punt" #~ msgid "Initial:" #~ msgstr "Initieel:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Rationale Functie Optimelisatie" #~ msgid "Quadratic Approximation" #~ msgstr "Quadratische Benadering" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Herbereken de Hessiaan Elke:" #~ msgid "Follow Mode:" #~ msgstr "Volg Mode" #~ msgid "Basis:" #~ msgstr "Basis:" #~ msgid "Z-matrix" #~ msgstr "Z-matrix" #~ msgid "Gaussian Input" #~ msgstr "Gaussiaanse Input" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Standaard" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Checkpoint:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-matrix (compact)" #~ msgid "MOLPRO Input" #~ msgstr "MOLPRO Input" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Quartet" #~ msgstr "kwartet" #~ msgid "Quintet" #~ msgstr "Quintet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem Input" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Load Shaders" #~ msgstr "Laad Shaders" #~ msgid "Shader Name:" #~ msgstr "Shader Naam:" #~ msgid "Vertex Shader:" #~ msgstr "Vertex Shader:" #~ msgid "Fragment Shader:" #~ msgstr "Fragment Shader:" #~ msgid "Assign Shader" #~ msgstr "Wijs Shader toe" #~ msgid "Display Type:" #~ msgstr "Display Type:" #~ msgid "Change Font..." #~ msgstr "Wijzig Font..." #~ msgid "New..." #~ msgstr "Nieuw" #~ msgid "Rename..." #~ msgstr "Hernoem..." #~ msgid "&Schemes:" #~ msgstr "&Schema's:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Breedte:" #~ msgid "&Height" #~ msgstr "&Hoogte:" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Gebruike een geoptimaliseerde waarde voor de lettergrootte van de schema-" #~ "gespecificeerde waarde (scherm naar afbeelding punt groottes geven niet " #~ "goed weer)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Auto-aanpassen Lettergr&ootte" #~ msgid "&Gaussian Width:" #~ msgstr "&Gaussiaanse breedte:" #~ msgid "&Label peaks" #~ msgstr "&Label toppen" #~ msgid "&Y Axis Units:" #~ msgstr "&Y As eenheden:" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Gaussian &Width:" #~ msgstr "&Gaussiaanse breedte:" #~ msgid "Reset &Plot Axes" #~ msgstr "Reset &Plot Assen" #~ msgid "Label Peaks:" #~ msgstr "Label Toppen:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Moleculaire Vibraties" #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "vibraties op hogere frequantie zullen een snellere beweging tonen" #~ msgid "Animation speed set by frequency" #~ msgstr "Animatie snelheid bepaald door frequentie" #~ msgid "Display force &vectors" #~ msgstr "Toon kracht &vectoren" #~ msgid "Surface Type:" #~ msgstr "Oppervlakte Type:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Laag" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Medium" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Hoog" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Zeer Hoog" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "In Display Type:" #~ msgid "New Display" #~ msgstr "Nieuwe Display" #~ msgid "Advanced..." #~ msgstr "Geavanceerd..." #~ msgid "Python Settings" #~ msgstr "Python instellingen" #~ msgid "Z Matrix Editor" #~ msgstr "Z Matrix Editor" avogadrolibs-1.100.0/i18n/oc.po000066400000000000000000010143221474375334400160660ustar00rootroot00000000000000# Occitan (post 1500) translation for avogadro # Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2010. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-13 03:01+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Occitan \n" "Language: oc\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n > 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, fuzzy, qt-format msgid "%1 Input Generator" msgstr "%1 Editor de fichièr d'entrada" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Contunhar" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Tampar" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Desconegut" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Idrogèn" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Èli" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Liti" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Berilli" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Boròni" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Carbòni" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Nitrogèn" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Oxigèn" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Sòdi" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnèsi" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Alumini" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silicòn" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fosfòr" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Sofre" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Clòr" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Potassi" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Calci" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Escandi" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titani" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadi" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Cròme" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Manganès" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Fèrre" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Cobalt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Niquèl" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Coire" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Zinc" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Galli" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germani" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsenic" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selèni" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Bròme" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Cripton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidi" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Estronci" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Itri" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zircòni" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niòbi" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molibdèn" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Tecnèci" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Rutèni" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Ròdi" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Palladi" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Argent" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Cadmi" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indi" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Estam" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimòni" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Telluri" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Iòde" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Cèsi" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Bari" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantani" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Ceri" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Òlmi" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Èrbi" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Tuli" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Itèrbi" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutèci" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Afni" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Tungstèn" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Rèni" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Òsmi" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridi" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platini" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Aur" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Mercuri" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Talli" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Plomb" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bismut" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polòni" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astat" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Franci" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radi" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Actini" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Tòri" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protactini" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Urani" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptuni" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutoni" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Califòrni" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobèli" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubni" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:23 #, fuzzy msgid "Browse" msgstr "Percórrer" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Totes los fichièrs" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Títol" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 #, fuzzy msgid "Theory" msgstr "Teoria" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Basa" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Bola e baston" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Dessenh animat" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Moment dipolar" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Forçar" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Etiqueta" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Fial de fèrre" #: qtgui/moleculemodel.cpp:92 #, fuzzy msgid "Untitled" msgstr "sens títol" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Tablèu periodic" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Apondre un atòm" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Cambiar un element" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Cambiar un element" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Apondre una ligason" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 #, fuzzy msgid "Clear Bonds" msgstr "Suprimir una ligason" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Modificar l'òrdre de las ligasons" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 #, fuzzy #| msgid "&UV Settings" msgid "Settings" msgstr "Paramètres" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Fichièr" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 #, fuzzy msgid "&Export" msgstr "&Exportar" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Construire" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Element :" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Alinhament" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Axes :" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Error" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "Òsca" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "Color personalizada…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "Element" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy msgid "By Partial Charge…" msgstr "Segon la carga parciala…" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:87 #, fuzzy msgid "By Amino Acid" msgstr "Acids aminats" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Vista" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Manipulacion de las ligasons" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Manipulacion de las ligasons" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "Ligason" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Colomna vertebrala" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Cinta" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Dessenh animat" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Dessenh animat" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "&Extensions" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #, fuzzy msgid "Scripts" msgstr "Escripts" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 #, fuzzy #| msgid "Other" msgid "Other…" msgstr "Divèrs…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Nom de l'element." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Personalizar" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Entrada Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 #, fuzzy msgid "Copy" msgstr "Copiar" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 #, fuzzy msgid "Clear" msgstr "Escafar" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 #, fuzzy msgid "Molecular Dynamics" msgstr "Dinamica moleculara" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 #, fuzzy msgid "Geometry Optimization" msgstr "Optimizacion globala" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 #, fuzzy msgid "Conjugate Gradients" msgstr "Gradients conjugats" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Dessenhar" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Dessenhar un atòm" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Distància :" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Simple" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Doble" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Triple" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 #, fuzzy msgid "&Import" msgstr "&Importar" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Cercar dins la PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Cercar dins la PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Configurar…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "&Calcular" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "%1 Energia = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "GAMESS" msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Entrada GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "Singulet" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Estat de transicion" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Frequéncias" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Aiga" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Singulet" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Doblet" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Mejan" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "Idrogèn" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Inserir" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 #, fuzzy #| msgctxt "Ultra-Violet spectrum" #| msgid "UV" msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 #, fuzzy #| msgid "T" msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "Molecula…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Inserir un fragment" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Inserir un fragment" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 #, fuzzy msgid "Color:" msgstr "Colors :" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Pas cap" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "ID unica" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 #, fuzzy msgid "Atom Label:" msgstr "Etiquetas dels atòms :" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Opacitat :" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 #, fuzzy msgid "No descriptors found!" msgstr "Pas cap de descripcion!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipular" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Mesurar" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Dièdre :" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Angle :" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "Angle :" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy msgid "&Molecular…" msgstr "&Moleculara…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Proprietats" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Proprietats de la molecula" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 #, fuzzy msgid "Molecule Properties" msgstr "Proprietats de la molecula" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 #, fuzzy msgid "Export CSV" msgstr "Exportar CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy msgid "Export…" msgstr "Exportar…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigar" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Nom quimic" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 #, fuzzy #| msgid "°" msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 #, fuzzy msgid "Configure Force Field…" msgstr "Configurar lo camp de fòrça…" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH :" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Arrèst" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "fichièrs vidèo (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 #, fuzzy msgid "Save File" msgstr "Enregistrar lo fichièr" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Valença" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "Colors" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Atòm" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Tipe" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "Atòm de despart" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Atòm d'arribada" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Òrdre de ligason" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "longor (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Atòm 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Vertèx" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Atòm 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Angle (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Atòm 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Atòm 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "Eliça" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "Eliça" #: qtplugins/propertytables/propertymodel.cpp:939 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "Fuèlhs" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "Proprietats dels atòms…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "Proprietats de las ligasons…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Proprietats dels angles…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy #| msgid "Torsion Properties" msgid "Torsion Properties…" msgstr "Proprietats dels angles de torsion…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Proprietats" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Proprietats dels atòms" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Proprietats de las ligasons" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Proprietats dels angles" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Proprietats dels angles de torsion" #: qtplugins/propertytables/propertyview.cpp:56 #, fuzzy msgid "Conformer Properties" msgstr "Proprietats dels conformèris" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "Reïnicializar" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Residue…" msgstr "Seleccionar per residú…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Seleccionar" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" msgstr "Seleccionar residú" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "Seleccionar" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Seleccion" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "Infraroge" #: qtplugins/spectra/spectradialog.cpp:440 #, fuzzy #| msgctxt "Raman spectrum" #| msgid "Raman" msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "RMN" #: qtplugins/spectra/spectradialog.cpp:446 #, fuzzy #| msgid "Electron Density" msgid "Electronic" msgstr "Electronica" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Seleccionar una color de fons" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 #, fuzzy #| msgid "ν (cm⁻¹)" msgid "Wavenumbers (cm⁻¹)" msgstr "ν (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 #, fuzzy #| msgid "Intensity" msgid "Intensity" msgstr "Fondut d'intensitat" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Energia (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Orbitala" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Estat" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HO" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "BV" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Orbitala moleculara" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Densitat electronica" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "OM %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "HOMO" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "LUMO" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Create Surfaces..." msgid "Create Surfaces…" msgstr "Generar las surfàcias…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 #, fuzzy msgid "Render a molecular orbital." msgstr "Orbitala moleculara" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 #, fuzzy msgid "Calculating electron density" msgstr "Calcul de la densitat electronica en cors" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Surfàcias" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, fuzzy, qt-format msgid "Group %1" msgstr "Grop %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "Vibracion" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Bóstia de dialòg" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Formulari" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "Inserir un fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Camp de fòrça :" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Òsca !" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) #, fuzzy msgid "Load Cube File" msgstr "Cargar lo fichièr" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Carga Parciala" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format :" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Aplicar" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Valors per defaut" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Enregistrar lo fichièr…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Títol :" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Calcular :" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Metòde :" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C :" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Etiqueta" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Òrdre de ligason :" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Entrada GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Dins :" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicitat :" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Amb :" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Carga :" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nom" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy #| msgid "G" msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy #| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other" msgid "Other" msgstr "Divèrs" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Simple" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Doble" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) #, fuzzy #| msgid "Origin:" msgid "Origin" msgstr "Origina" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Metòde" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Camp de fòrça :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Referéncia" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Simple" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Doble" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Contrenchas :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Temperatura :" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalent" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Width:" msgid "Peak Width:" msgstr "Largor :" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) #, fuzzy #| msgid "Threshold:" msgid "Peak Threshold:" msgstr "Sulhet :" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Aparéncia" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Afichar" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Importar..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #, fuzzy #| msgid "Set Color..." msgid "Set Color..." msgstr "Causir la color..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Exportar..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Rèire plan :" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy #| msgid "10e-" msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Exportar las donadas" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Tampar" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "&Legir las donadas..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Qualitat : " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Febla" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Mejana" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Elevada" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Fòrça elevada" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Color :" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolucion :" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Valor iso :" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " K" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Clar" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calcular" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molecula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "1: Linear" msgstr "Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "2: Linear" msgstr "Linear" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "Tipe :" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Grops" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Grop :" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitud :" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #, fuzzy msgid "Start Animation" msgstr "Començar l'animacion" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) #, fuzzy msgid "Stop Animation" msgstr "Arrestar l'animacion" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) #, fuzzy msgid " eV" msgstr "eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Cédric VALMARY (Tot en òc), ,Launchpad " "Contributions:,Avogadro Team,Cédric VALMARY (Tot en òc), ,Launchpad " "Contributions:,Avogadro Team,Cédric VALMARY (Tot en òc), ,Launchpad " "Contributions:,Avogadro Team,Cédric VALMARY (Tot en òc), ,Launchpad " "Contributions:,Avogadro Team,Cédric VALMARY (Tot en òc), ,Launchpad " "Contributions:,Avogadro Team,Cédric VALMARY (Tot en òc), ,Launchpad " "Contributions:,Avogadro Team,Cédric VALMARY (Tot en òc), ,Launchpad " "Contributions:,Avogadro Team,Cédric VALMARY (Tot en òc), ,Launchpad " "Contributions:,Avogadro Team,Cédric VALMARY (Tot en òc)" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,cvalmary@yahoo.fr,,,avogadro-devel@lists.sourceforge.net,cvalmary@yahoo." "fr,,,avogadro-devel@lists.sourceforge.net,cvalmary@yahoo.fr,,,avogadro-" "devel@lists.sourceforge.net,cvalmary@yahoo.fr,,,avogadro-devel@lists." "sourceforge.net,cvalmary@yahoo.fr,,,avogadro-devel@lists.sourceforge.net," "cvalmary@yahoo.fr,,,avogadro-devel@lists.sourceforge.net,cvalmary@yahoo.fr,,," "avogadro-devel@lists.sourceforge.net,cvalmary@yahoo.fr,,,avogadro-" "devel@lists.sourceforge.net,cvalmary@yahoo.fr" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #, fuzzy #~ msgid "eV)" #~ msgstr "eV" #, fuzzy #~ msgid "Partial Charge" #~ msgstr "Coloriar segon la carga parciala" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animacion" #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Numèro de l'atòm" #, fuzzy #~ msgid "By Distance" #~ msgstr "Distància" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Numèro de l'atòm" #, fuzzy #~ msgid "&Copy" #~ msgstr "Copiar tot" #, fuzzy #~| msgid "Molecule" #~ msgid "Molecule Name:" #~ msgstr "Molecula" #~ msgid "Chemical Formula:" #~ msgstr "Formula quimica :" #~ msgid "Number of Atoms:" #~ msgstr "Nombre d'atòms :" #~ msgid "Number of Bonds:" #~ msgstr "Nombre de ligasons :" #~ msgid "TODO" #~ msgstr "CAUSAS A FAR" #, fuzzy #~ msgid "In." #~ msgstr "Dins :" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragment..." #~ msgid "Other..." #~ msgstr "Autres..." #, fuzzy #~ msgid "Filename" #~ msgstr "Nom de fichièr :" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Estructura :" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navigar" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navigar" #~ msgid "OK" #~ msgstr "D'acòrdi" #~ msgid "Cancel" #~ msgstr "Anullar" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Nom de l'element" #, fuzzy #~| msgid "Dihedral:" #~ msgid "octahedral" #~ msgstr "Dièdre :" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molecula" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Molecula" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Atom Properties..." #~ msgstr "Proprietats dels atòms" #, fuzzy #~ msgid "Bond Properties..." #~ msgstr "Proprietats de las ligasons" #~ msgid "Angle Properties..." #~ msgstr "Proprietats dels angles..." #~ msgid "Torsion Properties..." #~ msgstr "Proprietats de torsion..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Proprietats de la molecula..." #~ msgid "Insert Fragment..." #~ msgstr "Inserir un fragment..." #~ msgid "Theory:" #~ msgstr "Teoria :" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Distància (1->2) : %L1 %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angle %1" #, fuzzy #~ msgid "Angle" #~ msgstr "Angle :" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsion %1" #~ msgid "Torsion" #~ msgstr "Torsion" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "Energia (kJ/mol) :" #~ msgid "Yes" #~ msgstr "Òc" #~ msgid "No" #~ msgstr "Non" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Editor de fichièr d'entrada..." #, fuzzy #~ msgid "Import" #~ msgstr "Importar" #~ msgid "Insert SMILES" #~ msgstr "Inserir un SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Inserir un fragment SMILES" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "Inserir un fragment" #~ msgid "E&xtensions" #~ msgstr "E&xtensions" #, fuzzy #~ msgid "Stopped" #~ msgstr "Arrèst" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Surfàcias" #~ msgid "Color by Index" #~ msgstr "Coloriar segon l'indici" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Coloriar segon l'indici (roge, irange, jaune, verd, blau, violet)." #~ msgid "Color by Distance" #~ msgstr "Coloriar segon la distància" #~ msgid "SMARTS Pattern:" #~ msgstr "Estructura SMARTS :" #~ msgid "Engines" #~ msgstr "Motors de rendut" #~ msgid "Axes" #~ msgstr "Axes" #~ msgid "Hydrogen Bond" #~ msgstr "Ligason Idrogèn" #~ msgid "Polygon" #~ msgstr "Poligòn" #~ msgid "Ring" #~ msgstr "Sonariá" #~ msgid "Simple Wireframe" #~ msgstr "Fial de fèrre" #~ msgid "Stick" #~ msgstr "Bastons" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, surfàcia iso = %L2" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Animation..." #~ msgstr "Animacion..." #~ msgid "Number of atoms: %1" #~ msgstr "Nombre d'atòms : %1" #~ msgid "Trajectory..." #~ msgstr "Trajectòria..." #~ msgid "Chemical files (*.xyz)" #~ msgstr "Fichièrs de quimia (*.xyz)" #~ msgid "Calculate Energy" #~ msgstr "Calcular l'energia" #~ msgid "Constraints..." #~ msgstr "Contrenchas..." #~ msgid "ForceField" #~ msgstr "Camp de fòrça" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Fetch by chemical name..." #~ msgstr "Telecargar per nom quimic..." #~ msgid "Fetch from URL..." #~ msgstr "Recuperacion dempuèi l'URL…" #~ msgid "PDB Entry" #~ msgstr "Entrada PDB" #~ msgid "PDB entry to download." #~ msgstr "Entrada PDB de telecargar" #~ msgid "URL" #~ msgstr "Adreça Internet" #~ msgid "Show Preview" #~ msgstr "Afichar l'apercebut" #~ msgid "Hide Preview" #~ msgstr "Amagar l'apercebut" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Enregistrar l'imatge POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Fichièr d'imatges (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "Does not compute." #~ msgstr "Error de calcul." #~ msgid "Python Terminal" #~ msgstr "Terminal Python" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "QM Matches" #~ msgstr "Resultats MQ" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Seleccion PEF..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Seleccion MQ..." #~ msgid "Delete" #~ msgstr "Suprimir" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Conversion SMILES pas disponibla" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Conversion de format SMILES pas disponibla !" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Crear los fichièrs d'entrada per GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Paramètres avançats modificats" #~ msgid "Advanced Settings Reset" #~ msgstr "Reïnicializar los paramètes avançats" #~ msgid "Gaussian Input Deck" #~ msgstr "Taula d'entrada Gaussian" #~ msgid "Gaussian Running." #~ msgstr "Calcul Gaussian en cors." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian es pas installat." #~ msgid "Running Gaussian calculation..." #~ msgstr "Calcul Gaussian en cors..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWCHEM..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "Molpro Input Deck" #~ msgstr "Fichièr de donadas Molpro" #~ msgid "MOPAC Input Deck" #~ msgstr "Fichièr de donadas MOPAC" #~ msgid "MOPAC Running." #~ msgstr "Calcul MOPAC en cors." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC es pas installat." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Impossible de trobar l'executable de MOPAC." #~ msgid "Running MOPAC calculation..." #~ msgstr "Calcul MOPAC en cors..." #~ msgid "NWChem Input Deck" #~ msgstr "Fichièr de donadas NWChem" #~ msgid "QChem Input Deck" #~ msgstr "Fichièr de donadas Q-Chem" #~ msgid "Select SMARTS..." #~ msgstr "Seleccionar SMARTS..." #~ msgid "SMARTS Selection" #~ msgstr "Seleccion SMARTS" #~ msgid "Selections" #~ msgstr "Seleccions" #~ msgid "GLSL Shaders..." #~ msgstr "Texturas GLSL..." #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fichièrs d'ombratge de fragment (*.frag)" #~ msgid "GLSL Shaders" #~ msgstr "Ombratges GLSL" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensitat (unitats arb.)" #~ msgid "Activity" #~ msgstr "Activitat" #~ msgid "X Axis" #~ msgstr "Axe X" #~ msgid "Y Axis" #~ msgstr "Axe Y" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgid "&CD Settings" #~ msgstr "&Paramètres DC" #~ msgid "&Raman Settings" #~ msgstr "&Paramètres Raman" #~ msgid "No data" #~ msgstr "Pas de donadas" #~ msgid "Dark" #~ msgstr "Escur" #~ msgid "Publication" #~ msgstr "Publicacion" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Extension desconeguda : %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "Donadas IR PWscf (*.out)" #~ msgid "Data Format" #~ msgstr "Format de las donadas" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Format :" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "tiff" #~ msgid "Windows Bitmap" #~ msgstr "bmp" #~ msgid "Portable Pixmap" #~ msgstr "ppm" #~ msgid "X11 Bitmap" #~ msgstr "xbm" #~ msgid "X11 Pixmap" #~ msgstr "xpm" #~ msgid "&Advanced <<" #~ msgstr "&Avançats >>" #~ msgid "&Advanced >>" #~ msgstr "&Avançat >>" #~ msgid "Pause" #~ msgstr "Metre en pausa" #~ msgid "Molecular Orbitals..." #~ msgstr "Orbitalas molecularas..." #~ msgid "Orbitals" #~ msgstr "Orbitalas" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Pas res" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Densitat electronica" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Error - tipe pas definit" #~ msgid "Calculating VdW Cube" #~ msgstr "Calcul d'un cub WdW en cors" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Building video " #~ msgstr "Generacion de la vidèo " #~ msgid "Could not run mencoder." #~ msgstr "Impossible d'aviar memcoder" #~ msgid "Connect" #~ msgstr "Connectar" #~ msgid "Disconnect" #~ msgstr "Desconnectar" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Seguiment Wii" #~ msgid "Debug Information" #~ msgstr "Informacions de desbugatge" #~ msgid "FPS: %L1" #~ msgstr "FPS : %L1" #~ msgid "Atoms: %L1" #~ msgstr "Atòms : %L1" #~ msgid "Molecule %1" #~ msgstr "Molecula%1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid " - no module" #~ msgstr " - pas cap de modul" #~ msgid "Unknown Python Extension" #~ msgstr "Extension Python desconeguda" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension : verificacion " #~ msgid "Tools" #~ msgstr "Aisinas" #~ msgid "Align:" #~ msgstr "Alinhar :" #~ msgid "Everything" #~ msgstr "Tot" #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt : E = %1 %2 (dE = %3)" #~ msgid "Algorithm:" #~ msgstr "Algoritme :" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dinamica moleculara (900K)" #~ msgid "Start" #~ msgstr "Començament" #~ msgid "x rotation:" #~ msgstr "rotacion segon x :" #~ msgid "x rotation" #~ msgstr "rotacion segon x" #~ msgid "y rotation:" #~ msgstr "rotacion segon y :" #~ msgid "y rotation" #~ msgstr "rotacion segon y" #~ msgid "z rotation:" #~ msgstr "rotacion segon z :" #~ msgid "z rotation" #~ msgstr "rotacion segon z" #~ msgid "AutoRotate Settings" #~ msgstr "Paramètres de rotacion automatica" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Longor de ligason : %L1" #~ msgid " Show Angles" #~ msgstr " Afichar los angles" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distància (2->3) : %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distància (3->4) : %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Angle dièdre : %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distància(s) :" #~ msgid "Draw Bond" #~ msgstr "Dessenhar una ligason" #~ msgid "Draw Settings" #~ msgstr "Paramètres de dessenh" #~ msgid "Manipulate Settings" #~ msgstr "Paramètres de manipulacion" #~ msgid "Navigate Settings" #~ msgstr "Paramètres de navigacion" #~ msgid "Atom/Bond" #~ msgstr "Atòm/Ligason" #~ msgid "Symbol" #~ msgstr "Simbòl" #~ msgid "Z-Matrix" #~ msgstr "Matritz Z" #~ msgid "Z-Matrix Settings" #~ msgstr "Paramètres de matritz Z" #~ msgid "Axes:" #~ msgstr "Axes :" #~ msgid "Cartesian Axes" #~ msgstr "Axes cartesians" #~ msgid "Orthogonal Axes" #~ msgstr "Axes ortogonals" #~ msgid "Axis 1:" #~ msgstr "Axe 1 :" #~ msgid "Axis 2:" #~ msgstr "Axe 2 :" #~ msgid "Axis 3:" #~ msgstr "Axe 3 :" #~ msgid "Norm" #~ msgstr "Nòrma" #~ msgid "Shape" #~ msgstr "Forma" #~ msgid "a" #~ msgstr "a" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "En bocla" #~ msgid "Dipole:" #~ msgstr "Dipòl :" #~ msgid "Custom Vector" #~ msgstr "Vector personalizat" #~ msgid "Custom:" #~ msgstr "Personalizada :" #~ msgid "TextRenderer" #~ msgstr "Rendut textual" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Tèxte :" #~ msgid "Residue number" #~ msgstr "Numèro del residú" #~ msgid "Change Font" #~ msgstr "Modificar la poliça" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Radius:" #~ msgstr "Rai :" #~ msgid "VdW Opacity:" #~ msgstr "Opacitat VdW :" #~ msgid "Render:" #~ msgstr "Rendut :" #~ msgid "Points" #~ msgstr "Punts" #~ msgid "Draw Box:" #~ msgstr "Bóstia de dessenh :" #~ msgid "Positive" #~ msgstr "Positiva" #~ msgid "Negative" #~ msgstr "Negativa" #~ msgid "Show Atoms" #~ msgstr "Afichar los atòms" #~ msgid "Animate Trajectory" #~ msgstr "Trajectòria d'animacion" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "En bocla" #~ msgid "Save as .avi..." #~ msgstr "Enregistrar en .avi..." #~ msgid "Bohrs" #~ msgstr "Bohrs" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "GAMESS Input #2" #~ msgstr "Entrada GAMESS #2" #~ msgid "Priroda Input" #~ msgstr "Entrada Priroda" #~ msgid "Apply Changes" #~ msgstr "Aplicar los cambiaments" #~ msgid "Cut All" #~ msgstr "Copar tot" #~ msgid "Paste to the End" #~ msgstr "Pegar a la fin" #~ msgid "(None)" #~ msgstr "(Pas cap)" #~ msgid "Number of atoms:" #~ msgstr "Nombre d'atòms :" #~ msgid "Ignore Atom" #~ msgstr "Ignorar atòm" #~ msgid "Fix Atom" #~ msgstr "Fixar atòm" #~ msgid "Fix Atom X" #~ msgstr "Fixar atòm X" #~ msgid "Fix Atom Y" #~ msgstr "Fixar atòm Y" #~ msgid "Fix Atom Z" #~ msgstr "Fixar atòm Z" #~ msgid "Torsion angle" #~ msgstr "Angle de torsion" #~ msgid "Add" #~ msgstr "Apondon" #~ msgid "Save" #~ msgstr "Salvar" #~ msgid "Load" #~ msgstr "Cargar" #~ msgid "Cartesian" #~ msgstr "Cartesian" #~ msgid "All" #~ msgstr "Totes / Totas" #~ msgid "File Import..." #~ msgstr "Importacion de fichièr..." #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Nombre de passes" #~ msgid "Algorithm" #~ msgstr "Algoritme" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "Acid aspartic" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "Acid glutamic" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Glutamina" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Gly" #~ msgstr "Gly" #~ msgid "His" #~ msgstr "His" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyr" #~ msgstr "Tyr" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "Sequéncia (N a C) :" #~ msgid "L" #~ msgstr "G" #~ msgid "N Terminus:" #~ msgstr "Terminasons N :" #~ msgid "C Terminus:" #~ msgstr "Terminasons C :" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Phi:" #~ msgstr "Fi :" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Nombre de residús :" #~ msgid "Dipole Moment (D):" #~ msgstr "Moment dipolar (D) :" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Avançat" #~ msgid "Grid" #~ msgstr "Grasilha" #~ msgid "Select..." #~ msgstr "Seleccionar..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Path:" #~ msgstr "Camin :" #~ msgid "Compute..." #~ msgstr "Calcular..." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Estil Pople" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Dirècte" #~ msgid "Parallel" #~ msgstr "Parallèl" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Becke (original)" #~ msgstr "Becke (original)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "normal" #~ msgstr "normala" #~ msgid "fine" #~ msgstr "fina" #~ msgid "ultrafine" #~ msgstr "fòrça fina" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Property:" #~ msgstr "Proprietat :" #~ msgid "Polarizability" #~ msgstr "Polarizabilitat" #~ msgid "EFP Matches" #~ msgstr "Resultats PEF" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "Configuracion &avançada" #~ msgid "System" #~ msgstr "Sistèma" #~ msgid "MO Guess" #~ msgstr "Estimacion MO" #~ msgid "Misc" #~ msgstr "Divèrs" #~ msgid "Read" #~ msgstr "Lectura" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Tipe ECP :" #~ msgid "Default" #~ msgstr "Valor per defaut" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "Gradient" #~ msgstr "Degradat" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "Raman Intensities" #~ msgstr "Intensitats Raman" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "CI:" #~ msgstr "CI :" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Determinant Ames Lab" #~ msgid "CI Singles" #~ msgstr "Singletons CI" #~ msgid "CC:" #~ msgstr "CC :" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Check" #~ msgstr "Verificacion" #~ msgid "Debug" #~ msgstr "Desbugatge" #~ msgid "Use MP2" #~ msgstr "Utilizar MP2" #~ msgid "Use DFT" #~ msgstr "Utilizar DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "Nombre de variablas de matritz Z" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Minutes" #~ msgstr "Minutas" #~ msgid "Hours" #~ msgstr "Oras" #~ msgid "Days" #~ msgstr "Jorns" #~ msgid "Weeks" #~ msgstr "Setmanas" #~ msgid "Years" #~ msgstr "Annadas" #~ msgid "Millenia" #~ msgstr "Millenis" #~ msgid "MegaWords" #~ msgstr "Megamots" #~ msgid "MegaBytes" #~ msgstr "Megaoctets" #~ msgid "GigaWords" #~ msgstr "Gigamots" #~ msgid "GigaBytes" #~ msgstr "Gigaoctets" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI :" #~ msgid "Memory:" #~ msgstr "Memòria :" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "En bocla" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "Lectura MO ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO enregistrat (DICTNRY)" #~ msgid "Skip" #~ msgstr "Passar al seguent" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK Version)" #~ msgid "Direct SCF" #~ msgstr "SCF dirècte" #~ msgid "words" #~ msgstr "mots" #~ msgid "Numeric" #~ msgstr "Numeric" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial:" #~ msgstr "Inicial :" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Z-matrix" #~ msgstr "Matritz Z" #~ msgid "Gaussian Input" #~ msgstr "Entrada Gaussian" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Estandard" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Checkpoint :" #~ msgid "Z-matrix (compact)" #~ msgstr "Matritz Z compacta" #~ msgid "MOLPRO Input" #~ msgstr "Donadas MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Version de Molpro :" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "Quartet" #~ msgstr "Quartet" #~ msgid "Quintet" #~ msgstr "Quintuplet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Entrada NWChem" #~ msgid "Q-Chem Input" #~ msgstr "Entrada Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Shader Name:" #~ msgstr "Nom de l'ombratge :" #~ msgid "Fragment Shader:" #~ msgstr "Ombratge de fragment :" #~ msgid "Display Type:" #~ msgstr "Tipe d'afichatge :" #~ msgid "New..." #~ msgstr "Novèl..." #~ msgid "Rename..." #~ msgstr "Tornar nomenar..." #~ msgid "&Schemes:" #~ msgstr "&Projèctes :" #~ msgid "&DPI:" #~ msgstr "&DPI :" #~ msgid "&Width:" #~ msgstr "&Largor :" #~ msgid "&Height" #~ msgstr "&Nautor" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "po" #~ msgid "States / Atom" #~ msgstr "Estats/atòm" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "Relative" #~ msgstr "Relatiu" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Activitat (A^4/amu)" #~ msgid "&Recalculate All" #~ msgstr "Recalcular &tot" #~ msgid "Default &Quality:" #~ msgstr "&Qualitat per defaut :" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Bassa" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Mejana" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Elevada" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Fòrça elevada" #~ msgid "Advanced..." #~ msgstr "Avançat..." #~ msgid "Python Settings" #~ msgstr "Paramètres de python" avogadrolibs-1.100.0/i18n/pl.po000066400000000000000000007460271474375334400161150ustar00rootroot00000000000000# Polish translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Urszula , 2021. # Dominik Florjan , 2022. # Jakub Brzeski , 2023. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-13 03:01+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Polish \n" "Language: pl\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=3; plural=(n==1 ? 0 : n%10>=2 && n%10<=4 && (n%100<10 " "|| n%100>=20) ? 1 : 2);\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:02+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Zadanie #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Nie określono komunikatu." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Plik referencyjny '%1' nie istnieje." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "Błąd podczas zapisywania do pliku %1:%2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Plik '%1' słabo sformatowany. Brakuje ciągu znaków w polach 'contents' oraz " "'filePath'." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Nieznany" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Brak zdefiniowanej cząsteczki w BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Brak Io::FileFormat ustawiony w BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Nie ustawiono nazwy pliku w BackgroundFileFormat!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Wodór" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Hel" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Lit" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Beryl" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Węgiel" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Azot" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Tlen" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Sód" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnez" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Glin" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Krzem" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Siarka" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Chlor" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Potas" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Wapń" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Skand" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Tytan" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Wanad" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Chrom" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Żelazo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nikiel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Miedź" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Cynk" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Gal" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "German" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsen" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selen" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubid" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Stront" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Itr" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Cyrkon" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niob" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molibden" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Technet" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Ruten" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rod" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Pallad" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Srebro" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Kadm" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Ind" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Cyna" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antymon" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Tellur" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Jod" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Ksenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Cez" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Bar" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantan" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cer" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Prazeodym" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodym" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Promet" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samar" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europ" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolin" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terb" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Dysproz" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holm" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erb" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Tul" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Iterb" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutet" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafn" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Wolfram" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Ren" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osm" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iryd" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platinum" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Złoto" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Rtęć" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Tal" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Ołów" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bizmut" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polon" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astat" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Frans" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Rad" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Aktyn" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Tor" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protaktyn" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uran" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptun" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Pluton" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Ameryk" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Kiur" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkel" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Kaliforn" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einstein" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Ferm" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelew" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobel" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Lorens" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherford" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubn" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborg" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Borium" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Has" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitner" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Samar" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Roentgen" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Kopernik" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihon" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flerow" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moskow" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Liwermor" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tenes" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganeson" #: qtgui/filebrowsewidget.cpp:23 #, fuzzy msgid "Browse" msgstr "Przeglądaj" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Wszystkie pliki" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Kule i pałeczki" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Etykieta" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 #, fuzzy msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/moleculemodel.cpp:92 #, fuzzy msgid "Untitled" msgstr "bez nazwy" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Układ okresowy" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Usuń atom" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Dopasuj wodory" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Zmień pierwiastek" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Zmień pierwiastek" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Dodaj wiązanie" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 #, fuzzy msgid "Clear Bonds" msgstr "Usuń wiązanie" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:369 #, fuzzy msgid "Update Bonds" msgstr "Przyciągnięcie do wiązań" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Plik" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 #, fuzzy msgid "&Export" msgstr "&Eksportuj" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Buduj" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Pierwiastek:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Wyrównaj" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Oś:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, fuzzy msgid "IO Error" msgstr "Błąd" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Błąd" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "Sukces" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "Kolor użytkownika…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "Pierwiastek" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Widok" #: qtplugins/applycolors/applycolors.cpp:152 #, fuzzy msgid "Color Atoms" msgstr "Pokaż atomy" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Manipulacja przy wiązaniach" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Manipulacja przy wiązaniach" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "Wiązanie" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Wstążka" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 #, fuzzy msgid "Maximum distance:" msgstr "Maksymalna odległość:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "Rozszerzenia" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #, fuzzy msgid "Scripts" msgstr "Skrypty" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Nazwa pierwiastka." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Symbol pierwiastka." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "Kopiuj" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "InChI" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "Wytnij" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "Wyczyść" #: qtplugins/copypaste/copypaste.cpp:35 #, fuzzy #| msgid "Paste" msgid "&Paste" msgstr "Wklej" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 #, fuzzy msgid "Molecular Dynamics" msgstr "Dynamika cząsteczek" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 #, fuzzy msgid "Molecular Mechanics" msgstr "Mechanika molekularna" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Rysowanie" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Rysuj atom" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Odległość:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Pojedyncze" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Podwójne" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Potrójne" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "&Importuj" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Pobierz z PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Pobierz z PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "Oblicz" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "Energia pojedynczego punktu" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Częstotliwości" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gaz" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Woda" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neutralny" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Dopasuj wodory" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Dodaj wodory" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Usuń wodory" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "Wodory" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Wodory" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Wstaw" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Molekularne…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Wpisz fragment" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 #, fuzzy msgid "Color:" msgstr "Kolory:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Pierwiastek" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 #, fuzzy #| msgid "SMILES" msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 #, fuzzy #| msgid "InChI" msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 #, fuzzy msgid "No descriptors found!" msgstr "Brak opisu!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Pomiary" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "Kąt:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy msgid "&Molecular…" msgstr "&Molekularne…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "Właściwości" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Właściwości molekularne" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 #, fuzzy msgid "Molecule Properties" msgstr "Właściwości molekuły" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 #, fuzzy msgid "Export CSV" msgstr "Eksportuj CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 #, fuzzy #| msgid "Could not open file '%1' for writing." msgid "Could not open the file for writing." msgstr "Nie można otworzyć pliku '%1' do zapisu." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy msgid "Export…" msgstr "Eksportuj…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Narzędzie do nawigacji" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Dodaj wodory, aby uzyskać podane pH…" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "Usuń wodory" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Dodaj wodory (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "Dodaj wodory, aby uzyskać podane pH" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Usuń wodory (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 #, fuzzy msgid "Dynamic bonding?" msgstr "Dynamiczne wiązania" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "Eksportuj grafikę wektorową" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "pliki wideo (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "Nie można było zapisać pliku %1." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 #, fuzzy msgid "Save File" msgstr "Zapisz plik" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Wartościowość" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "Kolory" #: qtplugins/propertytables/propertymodel.cpp:522 #, fuzzy msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Atom końcowy" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Kolejność wiązań" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Długość (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Atom 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Atom 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Kąt (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Atom 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Atom 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "Spirala" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "Spirala" #: qtplugins/propertytables/propertymodel.cpp:939 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "Arkusz" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "Właściwości atomu…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "Właściowści wiązań…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Właściowści kątów…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Właściwości" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Właściwości atomu" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Właściowści wiązań" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Właściowści kątów" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "Wyśrodkuj" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Zaznacz wszystko" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Usuń zaznaczenie" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Zaznacz" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "Zaznacz" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "Podczerwień" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 #, fuzzy #| msgid "Energy" msgid "Energy (eV)" msgstr "Energia (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Powierzchnie" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, fuzzy, qt-format msgid "Group %1" msgstr "Grupy %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "Wibracja" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy msgid "Insert Fragment…" msgstr "Wpisz fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Pole sił:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Sukces!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) #, fuzzy msgid "Load Cube File" msgstr "Wczytaj plik" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Wklej" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Zastosuj" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Zapisz plik…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Tytuł:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Kolejność wiązań:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nazwa" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A:" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C:" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "A:" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "B:" msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Pojedyncze" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Podwójne" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Pole sił:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Pojedyncze" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Podwójne" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Ograniczenia:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Wygląd" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) #, fuzzy #| msgid "&Import" msgid "&Import..." msgstr "&Importuj…" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) #, fuzzy msgid "&Export..." msgstr "&Eksportuj..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) #, fuzzy msgid "Export Data" msgstr "Eksportuj dane" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Średnia" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Kolory:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " (" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Oblicz" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) #, fuzzy #| msgid "Center" msgid "Centers" msgstr "Wyśrodkuj" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Grupy" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Grupa:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #, fuzzy msgid "Start Animation" msgstr "Rozpocznij animację" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) #, fuzzy msgid "Stop Animation" msgstr "Zatrzymaj animację" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Andrzej MoST (Marcin Ostajewski),Roman " "Skrzypiński, ,Launchpad Contributions:,Avogadro Team, ,Launchpad " "Contributions:,Avogadro Team,Geoff Hutchison, ,Launchpad Contributions:," "Avogadro Team,Bartosz Kaszubowski,Geoff Hutchison,Krzysztof Wittek, ," "Launchpad Contributions:,Avogadro Team,Bartosz Kaszubowski,Geoff Hutchison," "Krzysztof Wittek, ,Launchpad Contributions:,Avogadro Team,Bartosz " "Kaszubowski,Geoff Hutchison,Krzysztof Wittek, ,Launchpad Contributions:," "Avogadro Team,Bartosz Kaszubowski,Geoff Hutchison,Krzysztof Wittek, ," "Launchpad Contributions:,Avogadro Team,Bartosz Kaszubowski,Geoff Hutchison," "Krzysztof Wittek, ,Launchpad Contributions:,Avogadro Team,Bartosz " "Kaszubowski,Geoff Hutchison,Krzysztof Wittek, ,Launchpad Contributions:," "Avogadro Team,Bartosz Kaszubowski,Geoff Hutchison,Krzysztof Wittek, ," "Launchpad Contributions:,Avogadro Team,Bartosz Kaszubowski,Geoff Hutchison," "Krzysztof Wittek,Mateusz Pogorzelski,december0123, ,Launchpad Contributions:," "Avogadro Team,Bartosz Kaszubowski,Geoff Hutchison,Krzysztof Wittek,Mateusz " "Pogorzelski,december0123, ,Launchpad Contributions:,Avogadro Team,Bartosz " "Kaszubowski,Geoff Hutchison,Krzysztof Wittek,Mateusz Pogorzelski,december0123" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,romano473@gmail.com,,,avogadro-devel@lists.sourceforge.net,,,avogadro-" "devel@lists.sourceforge.net,,,,avogadro-devel@lists.sourceforge.net," "gosimek@gmail.com,,,,,avogadro-devel@lists.sourceforge.net,gosimek@gmail." "com,,,,,avogadro-devel@lists.sourceforge.net,gosimek@gmail.com,,,,,avogadro-" "devel@lists.sourceforge.net,gosimek@gmail.com,,,,,avogadro-devel@lists." "sourceforge.net,gosimek@gmail.com,,,,,avogadro-devel@lists.sourceforge.net," "gosimek@gmail.com,,,,,avogadro-devel@lists.sourceforge.net,gosimek@gmail." "com,,,,,avogadro-devel@lists.sourceforge.net,gosimek@gmail.com,,,pogoma@o2." "pl,,,,avogadro-devel@lists.sourceforge.net,gosimek@gmail.com,,,pogoma@o2." "pl,,,,avogadro-devel@lists.sourceforge.net,gosimek@gmail.com,,,pogoma@o2.pl," #, fuzzy #~ msgid "Partial Charge" #~ msgstr "Ładunek" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animacja" #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals" #, fuzzy #~ msgid "By Distance" #~ msgstr "Odległość" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Pierwiastek" #, fuzzy #~| msgid "Copy" #~ msgid "&Copy" #~ msgstr "Kopiuj" #, fuzzy #~ msgid "Molecule Name:" #~ msgstr "Dynamika cząsteczek (600K)" #, fuzzy #~ msgid "Fragment…" #~ msgstr "Wpisz fragment SMILES:" #, fuzzy #~ msgid "Filename" #~ msgstr "Nazwa pliku:" #~ msgid "OK" #~ msgstr "OK" #~ msgid "Cancel" #~ msgstr "Anuluj" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Nazwa pierwiastka" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Wszystkie pliki" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Dodaj wodory, aby uzyskać podane pH..." #~ msgid "Atom Properties..." #~ msgstr "Włąściwości atomu..." #~ msgid "Bond Properties..." #~ msgstr "Właściwości wiązania..." #~ msgid "Angle Properties..." #~ msgstr "Właściwości kątów..." #, fuzzy #~ msgid "Torsion Properties..." #~ msgstr "Właściowści wiązań" #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Właściwości molekuły..." #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Odległość" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Kąt %1" #, fuzzy #~ msgid "No" #~ msgstr "Neon" #, fuzzy #~ msgid "Import" #~ msgstr "Importuj" #~ msgid "Insert SMILES" #~ msgstr "Wstaw ze SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Wpisz fragment SMILES:" #~ msgid "E&xtensions" #~ msgstr "&Rozszerzenia" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Dodaj wodory" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Powierzchnie" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Koloruj po indeksie (czerwony, pomarańczowy, żółty, zielony, niebieski, " #~ "fioletowy)." #~ msgid "Custom Color:" #~ msgstr "Kolor użytkownika:" #~ msgid "Set custom colors for objects" #~ msgstr "Ustaw niestandardowe kolory dla obiektów" #~ msgid "Color by Distance" #~ msgstr "Koloruj po odległości" #~ msgid "Color by distance from the first atom." #~ msgstr "Koloruj po odległości od pierwszego atomu." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Koloruj po pierwiastkach (węgiel = szary, tlen = czerwony, ...)." #~ msgid "Highlight Color:" #~ msgstr "Kolor podświetlenia:" #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Silniki" #~ msgid "Axes" #~ msgstr "Osie" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Ułóż cząsteczki używając kuleczek (atomy) oraz pałeczek (wiązania)" #~ msgid "Hydrogen Bond" #~ msgstr "Wiązanie wodorowe" #~ msgid "Polygon" #~ msgstr "Wielokąt" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Renderuj szkielet proteiny jako wstążkę" #~ msgid "Van der Waals Spheres" #~ msgstr "Sfery Van der Waalsa" #~ msgid "Stick" #~ msgstr "Pałeczki" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Dodawanie rozszerzenia .avi" #~ msgid "Animation..." #~ msgstr "Animacja..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Nie można odczytać formatu pliku %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Odczytanie pliku trajektorii %1 nie powiodło się." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Musisz podać poprawną nazwę pliku .avi" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animuj trajektorie, reakcje i wibracje." #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Liczba wiązań możliwych do rotacji: %1" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Twoja molekuła musi zawierać co najmniej dwa atomy, aby dodać " #~ "ograniczenie wiązania" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Twoja molekuła musi zawierać co najmniej trzy atomy, aby dodać " #~ "ograniczenie kąta" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Twoja molekuła musi zawierać co najmniej cztery atomy, aby dodać " #~ "ograniczenie skrętu" #~ msgid "Trajectory..." #~ msgstr "Trajektoria..." #~ msgid "Import trajectory files" #~ msgstr "Importuj pliki trajektorii" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Przekształć wodory na grupy metylowe" #~ msgid "Add or remove hydrogens" #~ msgstr "Dodaj lub usuń wodory" #~ msgid "Peptide..." #~ msgstr "Peptydy..." #~ msgid "Fetch from URL..." #~ msgstr "Pobierz z adresu URL..." #~ msgid "URL" #~ msgstr "Adres URL" #~ msgid "Show Preview" #~ msgstr "Pokaż podgląd" #~ msgid "Hide Preview" #~ msgstr "Ukryj podgląd" #~ msgid "No valid filename was supplied." #~ msgstr "Podano nie poprawną nazwę pliku." #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Nie można zapisać pliku %1. Jesteś pewny, że masz uprawnienia, aby " #~ "zapisywać pliki w tej lokalizacji?" #~ msgid "Delete" #~ msgstr "Usuń" #~ msgid "You must make a selection!" #~ msgstr "Musisz coś zaznaczyć!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Konwersja do SMILES niedostępna" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Konwersja do formatu SMILES jest niedostępna!" #~ msgid ")" #~ msgstr ")" #~ msgid "Advanced Settings Changed" #~ msgstr "Zmieniono ustawienia zaawansowane" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Ustawienia zaawansowane uległy zmianie.\n" #~ "Odrzucić zmiany?" #~ msgid "Advanced Settings Reset" #~ msgstr "Przywrócenie ustawień zaawansowanych" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Czy na pewno chcesz przywrócić ustawienia zaawansowane?\n" #~ "Wszystkie zmiany zostaną utracone!" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Czy na pewno chcesz przywrócić ustawienia podstawowe?\n" #~ "Wszystkie zmiany zostaną utracone!" #~ msgid "There is no current selection." #~ msgstr "Aktualnie nic nie ejst zaznaczone." #~ msgid "Name cannot be empty." #~ msgstr "Nazwa nie może być pusta." #~ msgid "There is already a selection with this name." #~ msgstr "Istnieje już zaznaczenie o tej nazwie" #~ msgid "X Axis" #~ msgstr "Oś X" #~ msgid "Y Axis" #~ msgstr "Oś Y" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Błąd - niezdefiniowany typ" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Błędny kontekst OpenGL.\n" #~ "Coś jest całkowicie zepsute w konfiguracji OpenGL na tym komputerze - czy " #~ "można uruchomić jakikolwiek program używający OpenGL?Jeśli tak, to " #~ "znalazłeś błąd." #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "Atoms: %L1" #~ msgstr "Atomy: %L1" #~ msgid "Could not open file '%1' for reading." #~ msgstr "Nie można otworzyć pliku '%1' do odczytu." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Plik %1 nie może być otwarty do odczytu." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Plik %1 nie może być otwarty do zapisu." #~ msgid "Unknown Python Tool" #~ msgstr "Nieznane narzędzie Pythona" #~ msgid "Tools" #~ msgstr "Narzędzia" #~ msgid "Align:" #~ msgstr "Wyrównaj:" #~ msgid "Everything" #~ msgstr "Wszystko" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Nie można ustawić pola sił..." #~ msgid "Steps per Update:" #~ msgstr "Kroki na uaktualnienie:" #~ msgid "Algorithm:" #~ msgstr "Algorytm:" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dynamika cząsteczek (900K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Można poruszać stałymi atomami" #~ msgid "Ignored atoms are movable" #~ msgstr "Można poruszać zignorowanymi atomami" #~ msgid "Auto Rotation Tool" #~ msgstr "Narzędzie automatycznego obrotu" #~ msgid "x rotation:" #~ msgstr "obrót względem osi x:" #~ msgid "x rotation" #~ msgstr "obrót względem osi x" #~ msgid "y rotation:" #~ msgstr "obrót względem osi Y" #~ msgid "y rotation" #~ msgstr "obrót względem osi Y" #~ msgid "z rotation:" #~ msgstr "obrót względem osi Z:" #~ msgid "z rotation" #~ msgstr "obrót względem osi Z" #~ msgid " Show Angles" #~ msgstr " Pokaż kąty" #~ msgid "Distance(s):" #~ msgstr "Odległość:" #~ msgid "Draw Bond" #~ msgstr "Rysuj wiązanie" #~ msgid "Shape" #~ msgstr "Kształt" #~ msgid "Loop" #~ msgstr "Zapętlaj" #~ msgid "Dipole:" #~ msgstr "Dipol:" #~ msgid "Bond order" #~ msgstr "Kolejność wiązań" #~ msgid "Fill" #~ msgstr "Wypełnienie" #~ msgid "Points" #~ msgstr "Punkty" #~ msgid "Positive" #~ msgstr "Pozytyw" #~ msgid "Negative" #~ msgstr "Negatyw" #~ msgid "Animate Trajectory" #~ msgstr "Animuj trajektorię" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Zapętlaj" #~ msgid "Save as .avi..." #~ msgstr "Zapisz jako .avi..." #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "Number of rotatable bonds:" #~ msgstr "Liczba wiązań możliwych do rotacji:" #~ msgid "Ignore Atom" #~ msgstr "Ignoruj atom" #~ msgid "Add" #~ msgstr "Dodaj" #~ msgid "Save" #~ msgstr "Zapisz" #~ msgid "Load" #~ msgstr "Wczytaj" #~ msgid "File Import..." #~ msgstr "Import pliku..." #~ msgid "Algorithm" #~ msgstr "Algorytm" #~ msgid "Advanced" #~ msgstr "Zaawansowane" #~ msgid "&Advanced Setup" #~ msgstr "&Zaawansowane ustawienia" #~ msgid "Minutes" #~ msgstr "Minuty" #~ msgid "Days" #~ msgstr "Days" #~ msgid "Z Matrix Editor" #~ msgstr "Edytor macierzy Z" avogadrolibs-1.100.0/i18n/pt.po000066400000000000000000012010731474375334400161110ustar00rootroot00000000000000# Portuguese translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Editor Do Sonic BR , 2020. # ssantos , 2020, 2021, 2023, 2024. # Joana Vieira , 2020. # João Tiago Antunes , 2020. # Andre Azevedo , 2021. # Gustavo Sousa Jr , 2022. # Eisuke Kawashima , 2024, 2025. # Alexandre R Soares , 2024. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-16 14:01+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Portuguese \n" "Language: pt\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n > 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Trabalho por lotes #1%L1 (2%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Nenhuma mensagem especificada." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "script -- as opções de impressão devem ser um objecto JSON ao nível " "superior. Recebido:\n" "%1" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "Aviso não-cadeia retornado." #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "Membro 'warnings' não é um array." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "O ficheiro de referência '%1' não existe." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "Erro a preencher o ficheiro %1: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Ficheiro '%1' mal formado. Falta de 'contents' ou membros 'filePath' de " "cadeia." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Entrada de ficheiro malformada: nome do ficheiro / conteúdo ausente ou sem " "cadeias:\n" "%1" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Entrada de ficheiro malformada no índice % 1: não é um objeto" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "Membro 'files' não é um array." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "Membro 'files' faltando." #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "O membro 'mainFile' não se refere a uma entrada em 'arquivos'." #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "O membro 'mainFile' deve ser uma cadeia." #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "A resposta deve ser um objeto JSON de nível superior." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Resultado do script:\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Erro de análise no deslocamento % L1: '% 2'\n" "JSON bruto:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Erro ao salvar a representação da molécula como cadeia: Formato de ficheiro " "não reconhecido: %1" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Erro ao salvar a representação da molécula como cadeia: %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Erro ao gerar objeto cjson: Erro de análise no deslocamento %1: %2\n" "JSON bruto (raw):\n" "\n" "%3" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Objeto cjson gerador de erros: JSON analisado não é um objeto:\n" "%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "Gerador de Input (erro)" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "Gerador de input para o %1" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Continuar" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Fe&char" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Desconhecido(a)" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "O seguinte ficheiro foi modificado:\n" "\n" "%1\n" "\n" "Gostaria de substituir as suas alterações para refletir a nova geometria ou " "opções de trabalho?" msgstr[1] "" "Os seguintes ficheiros foram modificados:\n" "\n" "%1\n" "\n" "Gostaria de substituir as suas alterações para refletir a nova geometria ou " "opções de trabalho?" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Substituir ficheiros de entrada modificados?" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "Problemas ocorridos ao gerar a entrada:" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "Sem ficheiros de entrada para guardar!" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "Não é possível conectar ao MoleQueue" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Não é possível conectar ao servidor MoleQueue. Certifique-se de que está " "funcionando e tente novamente." #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "Submeter %1 Cálculo" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "Trabalho falhado" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "O trabalho não foi concluído com sucesso." #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "Script devolve avisos:\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "Ocultar &Avisos" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "Exibir &Avisos" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "Ocorreu um erro:" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "Selecione o nome do ficheiro de saída" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" "Erro interno: não foi possível encontrar widget de texto para o nome de " "ficheiro '%1'" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Erro de Saída" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Falha ao gravar o ficheiro %1." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Escolha diretório de saída" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Diretório inexistente!" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Diretório ilegível!" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: O ficheiro será sobrescrito." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: O ficheiro não pode ser escrito." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" "Os ficheiros de entrada não podem ser gravados devido a um erro desconhecido." #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Os ficheiros de entrada não podem ser gravados:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Os ficheiros de entrada não podem ser gravados:\n" "\n" "%1\n" "\n" "Avisos:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Aviso:\n" "\n" "%1\n" "\n" "Deseja continuar?" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Gravar ficheiros de entrada" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "Configurar trabalho" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Enviar trabalho para MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Tempo Limite de Envio de Trabalho" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro esgotou o tempo aguardando uma resposta de MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Esperando o trabalho %1 '%2' para terminar…" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "Parar de esperar" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "Obtendo informações sobre o trabalho concluído…" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "Tempo Limite de Recuperação de Trabalho" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro esgotou o tempo aguardando os detalhes do trabalho concluído de " "MoleQueue." #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "Erro ao submeter trabalho" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "O trabalho foi recusado por MoleQueue: %1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Nenhum programa selecionado." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "Selecione o programa de destino na lista \"Fila e Programa\"." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "O cliente falhou ao enviar o trabalho para MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Erro interno." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Incapaz de resolver a seleção de programas. Isto é um erro." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Nenhuma molécula definida em BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Nenhum Io::FileFormat definido em BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Nenhum nome de ficheiro definido em BackgroundFileFormat!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "Dividir na Horizontal" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "Dividir na Vertical" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Hidrogénio" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Hélio" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Lítio" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Berílio" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Boro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Carbono" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Azoto" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Oxigénio" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Flúor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Néon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Sódio" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnésio" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Alumínio" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silício" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fósforo" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Enxofre" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Cloro" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Árgon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Potássio" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Cálcio" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Escândio" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titânio" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanádio" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Crómio" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Manganésio" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Ferro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Cobalto" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Níquel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Cobre" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Zinco" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Gálio" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germânio" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsénio" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selénio" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Bromo" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Crípton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubídio" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Estrôncio" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Ítrio" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zircónio" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Nióbio" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molibdénio" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Tecnécio" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Ruténio" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Ródio" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Paládio" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Prata" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Cádmio" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Índio" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Zinco" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimónio" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Telúrio" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Iodo" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xénon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Césio" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Bário" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantânio" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cério" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodímio" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodímio" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Promécio" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samário" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Európio" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolínio" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Térbio" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Disprósio" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Hólmio" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Érbio" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Túlio" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Itérbio" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutécio" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Háfnio" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tântalo" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Tungsténio" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Rénio" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Ósmio" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Irídio" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platina" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Ouro" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Mercúrio" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Tálio" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Chumbo" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bismuto" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polónio" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Ástato" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Rádon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Frâncio" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Rádio" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Actínio" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Tório" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protactínio" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Urânio" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptúnio" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutónio" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Amerício" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Cúrio" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berquélio" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Califórnio" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einsténio" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Férmio" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelévio" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobélio" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Laurêncio" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherfórdio" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dúbnio" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seabórgio" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bóhrio" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hássio" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitnério" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstádio" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Roentgénio" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Copernício" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihônio" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Fleróvio" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moscóvio" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermório" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tenesso" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "Procurar" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "Selecionar ficheiro:" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "Selecionar executável:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" "Incapaz de encontrar um leitor de ficheiros adequado para o ficheiro " "seleccionado." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "A extensão do ficheiro está faltando, então o formato do ficheiro não pôde " "ser determinado. Quer adicioná-la?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" "Não foi possível encontrar um gravador de ficheiro adequado para o formato " "selecionado." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "manipuladores" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "lidar" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "leitores" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "ler" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "escritores" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "escrever" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "Vários %1 encontrados que podem %2 este formato. Qual deve ser usado?" #: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Todos os Ficheiros" #: qtgui/fileformatdialog.cpp:282 #, fuzzy #| msgid "All supported formats (%1);;" msgid "All supported formats" msgstr "Todos os formatos suportados" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" "Erro ao ler a representação da molécula: Formato de ficheiro não " "reconhecido: %1" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Erro ao gravar a representação da molécula como cadeia: Formato de ficheiro " "não reconhecido: %1" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Erro ao gravar a representação da molécula como cadeia: %1" #: qtgui/jsonwidget.cpp:86 #, fuzzy msgid "'userOptions' missing." msgstr "'userOptions' em falta." #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "A opção '%1' não se refere a um objeto." #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type' não é uma cadeia para a opção '%1'." #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "Guia %1" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Título" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "Base do nome do ficheiro" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "Processadores" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "Tipo de Cálculo" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "Nível de Teoria" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Base" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "Carga" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "Multiplicidade" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "Erro: o valor deve ser objeto para a chave '%1'." #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Tipo de opção não reconhecido '%1' para a opção '%2'." #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "Erro ao definir o padrão para a opção '%1'. Tipo de widget inválido." #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "Erro ao definir padrão para a opção '%1'. Valor padrão ruim:" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Erro ao definir o padrão para a opção '%1'. Não foi possível encontrar um " "índice de entrada de combinação válido a partir do valor:" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Widget não tratado em collectOptions para a opção '%1'." #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "[sem molécula]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "Camada %1" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Bolas e Paus" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Desenho animado" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Rede de Cristal" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Momento Dipolar" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Força" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 #, fuzzy #| msgid "Licorice" msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Bastão" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "Malhas" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Elementos de Simetria" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Modelo de Arame" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "Sem título" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "Criar uma nova visão" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Tabela Periódica" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Erro ao executar o script '%1 %2': Tempo limite esgotado ao aguardar o " "início (%3)." #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Erro ao executar o script '%1 %2': falha ao gravar em stdin (len= %3, gravou " "%4 bytes, erro QProcess: %5)." #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Erro ao executar o script '%1 %2': Tempo limite esgotado ao aguardar " "conclusão (%3)." #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Erro ao executar o script '%1 %2': status de saída anormal %3 (%4: %5)\n" "\n" "Resultado:\n" "%6" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "Script falhou ao iniciar." #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "O código falhou." #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "O script expirou." #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "Erro de leitura." #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "Erro de escrita." #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "Erro desconhecido." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Modificar Camadas" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Adicionar Camada" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Adicionar um Átomo" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Remover Átomo" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "Limpar Átomos" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Ajustar os Hidrogénios" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Trocar Elementos" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Modificar o Elemento" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "Alterar Hibridização do Átomo" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "Mudar Carga Formal do Átomo" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "Mudar Cor do Átomo" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Adicionar uma Ligação" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "Ligação Removida" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "Apagar Ligações" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "Definir Ordens de Ligação" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Modificar a Ordem de Ligação" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "Atualizar Ligações" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "Atualizar Ligação" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "Remover Célula Unitária" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "Editar Célula Unitária" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "Envolver Átomos na Célula" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "Redimensionar Volume da Célula" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "Construir Supercélula" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "Redução Niggli" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "Rodar para Orientação Padrão" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 #, fuzzy msgid "Reduce to Primitive" msgstr "Reduzir à Célula Primitiva" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "Convencionalizar Célula" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "Simetrizar Célula" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Preencher Célula Unitária" #: qtgui/rwmolecule.cpp:702 #, fuzzy msgid "Reduce Cell to Asymmetric Unit" msgstr "Reduzir a Unidade Assimétrica" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 #, fuzzy #| msgid "Change selections" msgid "Change Selection" msgstr "Mudar seleções" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Modificar Molécula" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "Configurações" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 #, fuzzy #| msgid "ThreeDMol HTML Block." msgid "3DMol HTML Block." msgstr "Bloco HTML 3DMol." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Ficheiro" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "&Exportar" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Construir" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Elemento:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Alinhar" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Eixo:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 #, fuzzy #| msgid "Align View to Axes" msgid "Align to Axis" msgstr "Alinhar Visão aos Eixos" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Alinhar moléculas com o eixo Cartesiano" #: qtplugins/apbs/apbs.cpp:32 #, fuzzy #| msgid "Run APBS" msgid "Run APBS…" msgstr "Executar APBS…" #: qtplugins/apbs/apbs.cpp:37 #, fuzzy #| msgid "Open Output File" msgid "Open Output File…" msgstr "Abrir Ficheiro de Saída…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "Abrir Ficheiro de Saída" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "Ficheiro OpenDX (*.dx)" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "Erro de Entrada/Saída" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "Problema ao ler a estrutura do ficheiro (%1)." #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "Erro OpenDX" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Erro ao ler ficheiro OpenDX: %1" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "Erro ao ler ficheiro OpenDX: Nenhum cubo encontrado" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Interagir com utilitários APBS." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Abrir Ficheiro PDB" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "Ficheiros PDB (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Abrir Ficheiro PQR" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "Ficheiros PQR (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Erro" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Erro ao executar APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Especifique o ficheiro PDB" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Gravar Ficheiro de Entrada APBS" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "Sucesso" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Ficheiro de entrada gravado em %1" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy #| msgid "By Custom Color..." msgid "By Custom Color…" msgstr "Por Cor Personalizada…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "Por Elemento" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy #| msgid "Partial Charge" msgid "By Partial Charge…" msgstr "Por Carga Parcial…" #: qtplugins/applycolors/applycolors.cpp:82 #, fuzzy msgid "By Secondary Structure" msgstr "Por estrutura secundária" #: qtplugins/applycolors/applycolors.cpp:87 #, fuzzy msgid "By Amino Acid" msgstr "Por Aminoácidos" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "Heat" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "Hot" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "Cinzento" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 #, fuzzy #| msgid "Spectra" msgctxt "colormap" msgid "Spectral" msgstr "Espectro" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "Coolwarm" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Azul-VermelhoEscuro" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "Aplicar o esquema de cores aos átomos e resíduos." #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Ver" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 #, fuzzy msgid "Color Residues" msgstr "Cor resíduo" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "Opacidade" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Exibir ligações múltiplas" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 #, fuzzy msgid "Show hydrogens" msgstr "Mostrar hidrogênios" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Desenha átomos como esferas e ligações como cilindros." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Manipulação Cêntrica da Ligação" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "%L1°" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "%L1 Å" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Ferramenta de manipulação ligação centrada." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Ferramenta usada para editar a geometria molecular, alterando comprimentos e " "ângulos das ligações." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Ligar Átomos" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Remover Ligações" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Configurar Ligações…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "Ligação" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Realize operações de ligação." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Fita" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Desenho animado" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Desenho animado" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 #, fuzzy #| msgid "Edit Color Opacity Map..." msgid "Edit Color Opacity Map…" msgstr "Editar Mapa de Opacidade de Cor …" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Extensões" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" "Editar mapas de opacidade de cores, principalmente para renderização de " "volume." #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Erro ao ler o ficheiro de saída '%1':\n" "%2" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "Definir caminho para interpretador Python:" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Selecione o interpretador python para executar scripts externos.\n" "O Avogadro deve ser reiniciado para que as alterações tenham efeito." #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "Scripts de comandos" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "Executar comandos de script externos" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 #, fuzzy #| msgid "Other..." msgid "Other…" msgstr "Outro…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy #| msgid "Atomic &Coordinate Editor..." msgid "Atomic &Coordinate Editor…" msgstr "Editor de &Coordenadas Atômicas…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Editor de coordenadas" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Edição de texto de coordenadas atômicas." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Sobrescrever alterações?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "O documento de texto foi modificado. Gostaria de descartar as suas " "alterações e reverter para a molécula atual?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Nome de elemento inválido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Nome do Elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Símbolo de elemento Inválido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Símbolo do Elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Número atômico inválido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Número Atômico." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Coordenadas inválidas." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "Coordenada X." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Coordenada Y." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Coordenada Z." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "coordenada de rede 'a'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "coordenada de rede 'b'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "coordenada de rede 'c'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Erro ao aplicar a geometria" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Não foi possível analisar a especificação da geometria. Corrija os erros " "destacados e tente novamente.\n" "\n" "(Dica: mantenha o rato sobre o texto em vermelho para obter uma descrição do " "erro.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Editar Coordenadas Atômicas" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Personalizar" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "Formato XYZ (símbolos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "Formato XYZ (nomes)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "Formato XYZ (números atômicos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Coordenadas de rede (símbolos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Coordenadas de rede (nomes)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Coordenadas de rede (números atômicos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "Formato GAMESS (símbolos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "Formato GAMESS (nomes)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Formato Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "Copiar" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "InChI" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "Recortar" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "Limpar" #: qtplugins/copypaste/copypaste.cpp:35 #, fuzzy #| msgid "Paste" msgid "&Paste" msgstr "Colar" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "&Editar" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "Erro na Área de Transferência para a Molécula" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "Erro ao gerar dados da área de transferência." #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Formato de saída: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Erro do leitor:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "Erro ao Colar Molécula" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Não é possível colar a molécula: área de transferência vazia!" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "Erro ao ler dados da área de transferência." #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Formato Detectado: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Copiar e colar" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Interagir com área de transferência." #: qtplugins/cp2kinput/cp2kinput.cpp:33 #, fuzzy #| msgid "&CP2K" msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "Entrada CP2K" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "Gerar Entrada para CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "Energia e Forças" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "Dinâmica Molecular" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "Otimização Geométrica" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "Métodos de estrutura eletrônica (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "Mecânica Molecular" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Híbrido quântico clássico (ainda não suportado)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "ATÔMICO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "DENSIDADES" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "M&OPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "ALEATÓRIO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "REINICIAR" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 #, fuzzy msgid "Conjugate Gradients" msgstr "Conjugar os Gradientes" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 #, fuzzy msgid "Steepest descent" msgstr "Descida Inclinada" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "O ficheiro de entrada foi modificado. Gostaria de substituir as suas " "alterações para refletir a nova geometria ou opções de trabalho?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "Substituir o ficheiro de entrada modificado?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "Gravar ficheiro de entrada CP2K" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "Enviar cálculo CP2K" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy #| msgid "Import Crystal from Clipboard" msgid "Import Crystal from Clipboard…" msgstr "Importar Cristal da Área de Transferência…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy #| msgid "Edit Unit Cell" msgid "Edit Unit Cell…" msgstr "Editar Célula Unitária…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Envolver Átomos na Célula Unitária" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Girar para &Orientação Padrão" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy #| msgid "Scale Cell &Volume" msgid "Scale Cell &Volume…" msgstr "Redimensionar &Volume da Célula…" #: qtplugins/crystal/crystal.cpp:74 #, fuzzy #| msgid "Build &Supercell" msgid "Build &Supercell…" msgstr "Construir &Supercélula…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Reduzir Célula (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "&Cristal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Remover Célula &Unitária" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Adicionar Célula &Unitária" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "I&mportar Cristal da Área de Transferência" #: qtplugins/crystal/crystal.cpp:175 #, fuzzy #| msgid "&Wrap Atoms to Unit Cell" msgid "Wrap atoms into the unit cell." msgstr "Envolver Átomos na Célula Unitária." #: qtplugins/crystal/crystal.cpp:177 #, fuzzy #| msgid "Rotate to Standard Orientation" msgid "Rotate the unit cell to the standard orientation." msgstr "Rodar para Orientação Padrão" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "Reduzir Cristal Niggli" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "Essa célula unitária já está reduzida." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Cristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Ferramentas para edição/análise específica de cristal." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Desenha os limites da célula unitária." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Não é possível analisar o texto" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Falha ao ler os dados com o formato fornecido." #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "Nenhuma célula unitária presente." #: qtplugins/customelements/customelements.cpp:19 #, fuzzy #| msgid "Reassign &Custom Elements..." msgid "Reassign &Custom Elements…" msgstr "Reatribuir Elementos &Personalizados…" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "Manipular tipos de elementos personalizados na molécula atual." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Elementos Definidos pelo Utilizador" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Desenhar" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Desenhar o Átomo" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "Trocar Tipo de Ligação" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "Remover Ligação" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Distância:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Ferramenta de Edição" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "Automático" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Simples" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Duplo" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Triplo" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "&Importar" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Estrutura química para descarregar." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "A consultar por %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Falhou a Descarga da Rede" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Timeout da rede ou outro erro." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "A molécula especificada não pode ser encontrada: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Buscar no PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Renderizar visualizações do campo de força para os átomos da molécula." #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "Otimizar Geometria" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy #| msgid "Configure Bonding…" msgid "Configure…" msgstr "Configurar…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "&Calcular" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Energia %1 = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield optimization" msgstr "Optimização do Campo de Força" #: qtplugins/forcefield/forcefield.h:50 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" msgstr "Optimização do Campo de Força" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Autodetectar (%1)" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "&GAMESS" msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "Entrada GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Gerar entrada para GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "Ponto Único" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Geometria de Equilíbrio" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Estado de Transição" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Frequências" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Potencial Nuclear" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gás" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Água" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Singleto" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Dupleto" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Tripleto" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Dicátion" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Cátion" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neutro" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anião" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianião" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "Gravar ficheiro de entrada GAMESS" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "Enviar cálculo GAMESS" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Ajustar Hidrogênios" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Adicionar Hidrogênios" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Remover Hidrogênios Extras" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Remover Hidrogênios" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "Adicionar/remover hidrogênios da molécula atual." #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "&Hidrogênios" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrogénios" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Importar de PQR" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Descarregar uma molécula de PQR." #: qtplugins/insertdna/insertdna.cpp:43 #, fuzzy #| msgid "DNA/RNA..." msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Inserir" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy #| msgid "Insert DNA/RNA" msgid "Insert DNA/RNA…" msgstr "Inserir ADN/ARN…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "Uracilo" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "Timina" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 #, fuzzy #| msgid "Insert Molecule..." msgid "Insert Molecule…" msgstr "Inserir Molécula…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 #, fuzzy #| msgid "Generating 3D molecule..." msgid "Generating 3D molecule…" msgstr "A criar molécula 3D…" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy #| msgid "Insert DNA" msgid "InsertDNA" msgstr "Inserir ADN" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "Molécula…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy #| msgid "Crystal" msgid "Crystal…" msgstr "Cristal…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "Importar Cristal" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Inserir fragmento" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Inserir fragmento" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Insere fragmentos moleculares para construir moléculas maiores." #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 #, fuzzy msgid "Color:" msgstr "Cores:" #: qtplugins/label/label.cpp:170 #, fuzzy msgid "Distance from center:" msgstr "Distância do centro:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Nenhum" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "ID único" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Elemento" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 #, fuzzy msgid "Atom Label:" msgstr "Etiqueta do átomo:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 #, fuzzy msgid "Residue Label:" msgstr "Etiqueta de resíduos:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 #, fuzzy #| msgid "&LAMMPS..." msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "Entrada LAMMPS" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Gerar entrada LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Quer atualizar o texto, perdendo todas as alterações feitas no painel de " "previsão da entrada deck Lammps?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Opacidade:" #: qtplugins/licorice/licorice.h:36 #, fuzzy #| msgid "Render atoms as licorice." msgid "Render atoms as licorice / sticks." msgstr "Renderizar átomos como palito/bastão." #: qtplugins/lineformatinput/lineformatinput.cpp:31 #, fuzzy #| msgid "SMILES" msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 #, fuzzy #| msgid "InChI" msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "Nenhum descritor encontrado!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "Nenhum leitor de formato de linha encontrado!" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "Não foi possível carregar o leitor de formato solicitado." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" "Carregar descritores de molécula em linha única por meio de uma caixa de " "diálogo de entrada." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipular" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Ferramenta de manipulação" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Medida" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Diédrico:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Ângulo:" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "Ângulos:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(pendente)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy #| msgid "Molecule" msgid "&Molecular…" msgstr "&Molécula…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "Visualizar propriedades gerais de uma molécula." #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Propriedades" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Propriedades Moleculares" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Propriedades da Molécula" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 #, fuzzy #| msgid "&Export" msgid "Export CSV" msgstr "Exportar CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "Ficheiros CSV (*.csv);;Todos os ficheiros (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 #, fuzzy #| msgid "Could not open file '%1' for writing." msgid "Could not open the file for writing." msgstr "Não é possível abrir o ficheiro '%1' para escrever." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy #| msgid "&Export" msgid "Export…" msgstr "Exportar…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navegar" #: qtplugins/navigator/navigator.cpp:42 #, fuzzy, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" "Ferramenta de Navegação (%1)\n" "\n" "Mouse Esquerdo: Clique e arraste para girar a visualização.\n" "Mouse do Meio: Clique e arraste para ampliar ou reduzir.\n" "Mouse Direito: Clique e arraste para mover a visualização.\n" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "Gire a cena ao longo dos eixos x, y ou z." #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "Transladar a cena." #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Ferramenta de navegação" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Nome Químico" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Interagir com bancos de dados online, estruturas de consulta, etc." #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "Ângulo de tolerância:" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Renderizar algumas interações não covalentes." #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "Halogênio" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "Calcogênio" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "Configurar Campo de Força…" #: qtplugins/openbabel/openbabel.cpp:59 #, fuzzy #| msgid "Conformer Search..." msgid "Conformer Search…" msgstr "Procurar conformação…" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "Perceber Ligações" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Adicionar Hidrogénios ao pH…" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "Remover Hidrogénios" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" "Os formatos de ficheiro do Open Babel não estão prontos para serem " "adicionados." #: qtplugins/openbabel/openbabel.cpp:203 #, fuzzy #| msgid "Loading molecule from CML..." msgid "Loading molecule from Open Babel…" msgstr "Carregando molécula de Open Babel…" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Ocorreu um erro interno: OpenBabel::readMolecule chamado, mas nenhuma saída " "obabel está disponível para analisar!" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "Um erro ocorreu durante a execução do Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "Erro ao analisar a saída do openbabel." #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Ocorreu um erro ao recuperar a lista de campos de força suportados. (usando " "'%1')." #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molécula inválida. Não é possível otimizar a geometria." #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "Não é possível otimizar a geometria com Open Babel." #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "Otimizando Geometria (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 #, fuzzy #| msgid "Generating MDL..." msgid "Generating…" msgstr "Criando…" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 #, fuzzy #| msgid "" #| "An internal error occurred while generating an CML representation of the " #| "current molecule." msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Ocorreu um erro interno ao gerar uma representação Open Babel da molécula " "atual." #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, fuzzy, qt-format #| msgctxt "arg is an executable file." #| msgid "Starting %1..." msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Iniciando %1…" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Etapa %1 de %2\n" "Energia atual: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 #, fuzzy #| msgid "Updating molecule..." msgid "Updating molecule…" msgstr "Atualizando molécula…" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "Erro ao interpretar a saída do Open Babel." #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "O número de átomos na saída do obabel (%1) não coincide com o número de " "átomos na molécula (%2)." #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "Não é possível abrir o ficheiro com o Open Babel." #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Molécula inválida: não se consegue detetar ligações." #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 #, fuzzy #| msgid "Generating XYZ representation..." msgid "Generating XYZ representation…" msgstr "Criando representação XYZ…" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "Erro ao criar a cadeia XYZ." #: qtplugins/openbabel/openbabel.cpp:760 #, fuzzy, qt-format #| msgid "Converting XYZ to CML with %1..." msgid "Converting XYZ to Open Babel with %1…" msgstr "Convertendo XYZ em Open Babel com %1…" #: qtplugins/openbabel/openbabel.cpp:770 #, fuzzy #| msgid "Updating molecule from CML..." msgid "Updating molecule from Open Babel…" msgstr "Atualizando molécula de Open Babel…" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "Não é possível adicionar hidrogênios com o Open Babel." #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "Adicionando Hidrogênios (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 #, fuzzy #| msgid "Generating Open Babel input..." msgid "Generating Open Babel input…" msgstr "Criando entrada Open Babel…" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "Erro ao criar entrada Open Babel." #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, fuzzy, qt-format #| msgid "Running %1..." msgid "Running %1…" msgstr "Executando %1…" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "Adicionar Hidrogénios ao pH" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 #, fuzzy #| msgid "Generating obabel input..." msgid "Generating obabel input…" msgstr "Criando entrada obabel…" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "Não é possível remover hidrogênios com Open Babel." #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "Removendo Hidrogênios (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 #, fuzzy #| msgid "Error generating Open Babel input." msgid "Error generating Open Babel data." msgstr "Erro ao criar dados Open Babel." #: qtplugins/openbabel/openbabel.cpp:951 #, fuzzy #| msgid "Reading obabel output..." msgid "Reading obabel output…" msgstr "Lendo saída obabel…" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "O Open Babel já está em execução. Aguarde a conclusão da outra operação e " "tente novamente." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Interagir com utilitários OpenBabel." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "Entrada OpenMM" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Gerar entrada para OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Deseja atualizar o texto e perder todas as alterações feitas no painel de " "visualização do deck de entrada OpenMM?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "Sobreposição de Eixos de Referência" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "Renderize os eixos de referência no canto da ecrã." #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Parar" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "Taxa de quadros:" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr " QPS" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "Quadro:" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " de %0" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "Ligações dinâmicas?" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 #, fuzzy #| msgid "Record Movie..." msgid "Record Movie…" msgstr "Gravar Vídeo…" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "Vídeo (*.mp4)" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "Exportar gráficos em bitmap" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Filme (*.mp4);;Filme (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "Aviso GIF FPS suportado" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" "O formato de ficheiro GIF não oferece suporte a taxas de quadros acima de " "100 FPS (qps)." #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "Vídeo (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "Erro: não é possível adicionar quadro ao vídeo." #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "Não foi possível gravar o ficheiro %1." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Ferramenta Player" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Reproduzir trajetórias" #: qtplugins/plotpdf/plotpdf.cpp:37 #, fuzzy #| msgid "Plot Pair Distribution Function..." msgid "Plot Pair Distribution Function…" msgstr "Traçar Função de Distribuição de Pares…" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "Falha ao criar modelo PDF" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "Mensagem de erro: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "TracePdf" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Criar e desenhar uma curva Função de Distribuição de Pares (PDF)." #: qtplugins/plotrmsd/plotrmsd.cpp:30 #, fuzzy #| msgid "Plot RMSD curve..." msgid "Plot RMSD curve…" msgstr "Traçar curva RMSD…" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "TraceRmsd" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "Criar e desenhar uma curva RMSD." #: qtplugins/plotxrd/plotxrd.cpp:35 #, fuzzy #| msgid "Plot Theoretical XRD Pattern..." msgid "Plot Theoretical XRD Pattern…" msgstr "Traçar modelo DRX Teórico…" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "Falha ao criar modelo DRX" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "Falha ao converter a molécula para o formato CIF." #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Os dados lidos do genXrdPattern parecem estar corrompidos!" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "Erro: não foi possível encontrar o executável genXrdPattern!" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "Erro: " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "TraceDrx" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Criar e desenhar um modelo de DRX teórico usando ObjCryst ++." #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "Gravar Ficheiro" #: qtplugins/ply/ply.cpp:71 #, fuzzy #| msgid "VRML (*.wrl);;Text file (*.txt)" msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Texto (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 #, fuzzy #| msgid "Render the scene using VRML." msgid "Render the scene using PLY." msgstr "Renderizar a cena usando PLY." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Texto (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Renderizar a cena usando o POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Valência" #: qtplugins/propertytables/propertymodel.cpp:503 #, fuzzy msgid "Formal Charge" msgstr "Carga Formal" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "Cores" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Átomo" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Tipo" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Terminar Átomo" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Ordem de Ligação" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Comprimento (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 #, fuzzy msgid "Secondary Structure" msgstr "Estrutura Secundária" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Átomo 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Vertex" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Átomo 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Ângulo (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Átomo 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Átomo 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "Hélice" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "Hélice" #: qtplugins/propertytables/propertymodel.cpp:939 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "Folha" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "Propriedades do átomo…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "Propriedades da ligação…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Propriedades do ângulo…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy #| msgid "Torsion Properties" msgid "Torsion Properties…" msgstr "Propriedades da torsão…" #: qtplugins/propertytables/propertytables.cpp:55 #, fuzzy msgid "Residue Properties…" msgstr "Propriedades de Residência…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" "Janelas para visualizar as propriedades do átomo, ligação, ângulo e torsão." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Propriedades" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Propriedades do átomo" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Propriedades da ligação" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Propriedades do ângulo" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Propriedades da torsão" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Propriedades da conformação" #: qtplugins/propertytables/propertyview.cpp:59 #, fuzzy msgid "Residue Properties" msgstr "Propriedades de Residência" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Desenha primitivas utilizando propriedades QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 #, fuzzy #| msgid "Molecular Graph..." msgid "Molecular Graph…" msgstr "Gráfico Molecular…" #: qtplugins/qtaim/qtaimextension.cpp:48 #, fuzzy #| msgid "Molecular Graph with Lone Pairs..." msgid "Molecular Graph with Lone Pairs…" msgstr "Gráfico Molecular com Pares Isolados…" #: qtplugins/qtaim/qtaimextension.cpp:55 #, fuzzy #| msgid "Atomic Charge..." msgid "Atomic Charge…" msgstr "Carga Atómica…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Abrir Ficheiro WFN" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Ficheiros WFN (*.wfn);;Todos os ficheiros (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Extensão QTAIM" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "Entrada Quantum" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "Gerar entrada para pacotes de química quântica." #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "Centralizar" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "Alinhar Visão aos Eixos" #: qtplugins/resetview/resetview.cpp:52 #, fuzzy #| msgid "Align View to Axes" msgid "Align view to axes." msgstr "Alinhar Visão aos Eixos" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "Reiniciar" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Manipular câmara de visualização." #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "Formatos de Ficheiro de Script" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "Carregar leitores/gravadores de ficheiros de scripts externos." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Selecionar Tudo" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Limpar Seleção" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Inverter Seleção" #: qtplugins/select/select.cpp:53 #, fuzzy #| msgid "Select by Element..." msgid "Select by Element…" msgstr "Seleccionar por elemento…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Residue…" msgstr "Seleccionar por Resíduo…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Mudar seleções" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Seleccionar" #: qtplugins/select/select.cpp:180 #, fuzzy #| msgid "Select by Element..." msgid "Select Element" msgstr "Seleccionar elemento" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" msgstr "Seleccionar Resíduo" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "Selecionar" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Selecção" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Ferramenta de Seleção" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 #, fuzzy msgid "Perceive Space Group…" msgstr "Percepção do Grupo Espacial…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "Tornar Simétrico" #: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Preencher Célula Unitária…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "Reduzir a Unidade Assimétrica" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "Space Group" msgstr "Espaçogrupo" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "Falha" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Percepção do Grupo de Espaço falhou.\n" "Gostaria de tentar novamente com uma tolerância diferente?" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "Redução Primitiva" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "A tolerância está definida como: %1.\n" "Continuar com esta tolerância?" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "A etapa de Redução de Primitivas falhou.\n" "Por favor, verifique o seu cristal e tente novamente com uma tolerância " "diferente." #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "A etapa de Convencionalização da Célula falhou.\n" "Por favor, verifique o seu cristal e tente novamente com uma tolerância " "diferente." #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "A etapa de Simetrização falhou.\n" "Por favor, verifique o seu cristal e tente novamente com uma tolerância " "diferente." #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "Selecione a tolerância em Å:" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "Internacional" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "Selecionar Grupo de Espaço" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "GrupoEspaço" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "Recursos do grupo espacial para cristais." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgid "Spectra" msgid "Spectra" msgstr "Espectro" #: qtplugins/spectra/spectra.h:38 #, fuzzy #| msgid "Display spectra and vibrational modes." msgid "Display spectra plots." msgstr "Mostrar espectros." #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "Infravermelho" #: qtplugins/spectra/spectradialog.cpp:440 #, fuzzy #| msgctxt "Raman spectrum" #| msgid "Raman" msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:443 #, fuzzy #| msgctxt "NMR spectra option" #| msgid "NMR" msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 #, fuzzy #| msgid "electron" msgid "Electronic" msgstr "elétron" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 #, fuzzy #| msgid "Density of States (states/cell)" msgid "Density of States" msgstr "Densidade dos Estados" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Selecionar cor de fundo" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Selecione cor de primeiro plano" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 #, fuzzy #| msgid "Wavenumber (cm-1)" msgid "Wavenumbers (cm⁻¹)" msgstr "Frequência (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 #, fuzzy #| msgid "Import Spectra" msgid "Raman Spectra" msgstr "Raman espectro" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 #, fuzzy #| msgid "Intensities" msgid "Intensity" msgstr "Intensidades" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 #, fuzzy #| msgid "Shift (ppm)" msgid "Chemical Shift (ppm)" msgstr "Fase (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Energia (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "Densidade" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Simetria" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Estado" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Orbital Molecular" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Densidade Electrónica" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "OM %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "Do Ficheiro" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Create Surfaces" msgid "Create Surfaces…" msgstr "Criar Superfícies…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "Calculando densidade eletrônica" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Calculando o orbital molecular %L1" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "Vídeo (*.avi)" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "Exportar Vídeo" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Vídeo MP4 (*.mp4);;Vídeo AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Superfícies" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Ler e renderizar superfícies." #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "Classe" #: qtplugins/symmetry/symmetry.cpp:41 #, fuzzy #| msgid "Symmetry" msgid "Symmetry…" msgstr "Simetria…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Fornecer funcionalidade de simetria." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Desenha elementos de simetria." #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "Grupo %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Exibição simples de esferas VdW." #: qtplugins/vibrations/vibrations.cpp:27 #, fuzzy #| msgid "Vibrational Modes" msgid "Vibrational Modes…" msgstr "Modos Vibracionais…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "Vibração" #: qtplugins/vibrations/vibrations.h:37 #, fuzzy #| msgid "Display spectra and vibrational modes." msgid "Display vibrational modes." msgstr "Mostrar modos vibracionais." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Texto (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Renderizar a cena usando VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Desenha a molécula como estrutura de arame." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, fuzzy, qt-format #| msgid "Script failed to start." msgid "Error: %1 failed to start" msgstr "%1 falhou ao iniciar" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Diálogo" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Formulário" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Configurações de Cálculo" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) #, fuzzy #| msgid "Placeholder text..." msgid "Placeholder text…" msgstr "Texto de espaço reservado…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) #, fuzzy #| msgid "Debug script..." msgid "Debug Script…" msgstr "Depurar script…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #, fuzzy #| msgid "Submit Calculation..." msgid "Submit Calculation…" msgstr "Submeter Cálculo…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy #| msgid "Save Input File" msgid "Save Input…" msgstr "Gravar Ficheiro de Entrada" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Fila e Programa:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "Atualizar" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" "

      Quantidade de núcleos do processador a reservar para " "este trabalho.

      " #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Núcleos do processador:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" "

      Excluir ficheiros de trabalho remotos após concluir " "trabalho. Os resultados ainda serão copiados primeiro para o cache de " "trabalho MoleQueue local.

      " #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Apagar ficheiros remotos ao terminar:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" "

      Marcar para evitar que este trabalho apareça na GUI " "MoleQueue por padrão.

      " #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Ocultar trabalho em MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" "

      Mostrar uma notificação pop-up do sistema quando o " "status do trabalho mudar.

      " #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Mostrar notificações de progresso:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Abrir resultado ao terminar:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Renomear Elementos" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "Inserir fragmento…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filtro:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Digite um nome ou parte de um nome para mostrar apenas os ficheiros " "correspondentes." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Inserir" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "Trecho de código 3DMol HTML" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Copiar para a Área de Transferência" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Estrutura do Ficheiro de Entrada" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Gerar Ficheiro de Entrada a partir de ficheiro PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "Ficheiro PDB:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Campo de Força:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Executar PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Carregar ficheiro PQR existente" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "Ficheiro PQR:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "Ficheiro de Entrada APBS" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Gravar Ficheiro de Entrada" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Executar APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Sucesso!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Carregar Ficheiro de Estrutura" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Carregar ficheiro Cube" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial Charge" msgid "Partial Charges" msgstr "Carga Parcial" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Tolerância de Distância:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Distância Mínima:" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "Renderizando Volume" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "Cubo" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "Ativar renderização de volume" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "Ativar renderização de superfície" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "Isovalor" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Editor de Coordenadas" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Unidade de Distância:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formato:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) #, fuzzy #| msgid "" #| "

      Specification of format. Each character indicates a " #| "value to write per atom:

      # " #| "- Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" " #| "for carbon)
      N - Element name " #| "(e.g. \"Carbon\")
      S - " #| "Element symbol (e.g. \"C\" for carbon)
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate (crystals only)
      b - 'b' lattice coordinate (crystals only)
      c - 'c' lattice coordinate " #| "(crystals only)
      _ - A " #| "literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for optimization " #| "flags
      1 - A literal 1 " #| "(\"1\"), useful for optimization flags

      " msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" "

      Especificação de formato. Cada caracter indica um " "valor a escrever por átomo:

      # " "- Índice de átomo (1, 2, ..., numAtoms)
      Z - Número Atômico (e.g. \"6\" para carbono)
      G - número atômico estilo GAMESS (e.g. \"6.0\" " "para carbono)
      N - Nome do " "elemento (e.g. \"Carbono\")
      S - " "Símbolo do elemento (e.g. \"C\" para carbono)
      x - posição coordenada X
      y - posição coordenada Y
      z - posição coordenada Z
      a - coordenada de rede 'a' (em cristais)
      b - coordenada de rede 'b' (em " "cristais)
      c - coordenada de " "rede 'c' (em cristais)
      _ - Um " "espaço literal (\" \"), útil para alinhar
      0 - Um 0 literal (\"0\"), útil para otimizar marcadores
      1 - Um 1 literal (\"1\"), útil para " "otimizar marcadores

      " #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Colar" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Aplicar" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "Entrada CP2K" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Apagar todos" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Padrões" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy #| msgid "Save File" msgid "Save File…" msgstr "Gravar Ficheiro…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "Configuração &Básica" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Título:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "trabalho" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Calcular:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Método:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Funcional" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Tipo Poisson EWALD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Poisson EWALD Alfa" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) #, fuzzy #| msgid "Poiosson EWALD GMAX" msgid "Poisson EWALD GMAX" msgstr "Poisson EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" "Extensão de ficheiro para conversão Open Babel (padrão - Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Parâmetros de Supercélula" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opções de Supercélula" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Repetir A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Repetir B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Repetir C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "Editor de Célula Unitária" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Matriz da Célula:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Matriz Fracionária:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Aplicar" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Reverter" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Ocultar" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Escalar Volume da Célula Unitária" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "Novo &Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "Fator de E&scala:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Volume Atual:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Ordem de Ligação:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Critérios de Convergência" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy #| msgid "\"Energy\" convergence:" msgid "Energy convergence:" msgstr "Energia de convergência:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " unidades" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " passos" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Método de Otimização" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Campo de força:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Autodetectar" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Entrada GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Em:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicidade:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Com:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Carga:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) #, fuzzy #| msgid "Import From PQR" msgid "Import From PQR…" msgstr "Importar de PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Buscar" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nome" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "sinônimo" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "fórmula" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Procurar por: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Fórmula:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Nome:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) #, fuzzy #| msgid "Insert DNA" msgid "Insert Nucleic Acids" msgstr "Inserir ácidos núcleos" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Sequencia:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other..." msgid "Other" msgstr "Outro" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "Simples" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Dupla" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "Entrada LAMMPS" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Comentários do ficheiro de entrada" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Selecione o estilo de unidade a ser usado durante a simulação." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Unidades" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elétron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Potencial da Água" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Selecione atom_style usado pelo ficheiro de dados." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Estilo do Átomo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "ângulo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atômico" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "ligação" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "carga" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipolo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "elipsoide" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "completo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "linha" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "esfera" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "pacote de ondas" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Indique o nome a ser usado para o ficheiro de coordenadas." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Ficheiro de Dados de Coordenadas" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Conjunto" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperatura" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Selecione a quantidade de cadeias Nosé-Hoover no conjunto NVT." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "Cadeias NH" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Intervalo de tempo para a simulação em unidades de acordo com a " "especificação \"Unidades\"." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Nome do ficheiro XYZ a ser escrito durante a simulação." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Despejar XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Quantidade de dimensões do sistema." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensões" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Alterar o estilo do limite Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Alterar o estilo do limite Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) #, fuzzy #| msgid "Select bondary Styles in X, Y and Z directions." msgid "Select boundary Styles in X, Y and Z directions." msgstr "Selecionar estilos de borda nas direções X, Y e Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Borda" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Quantidade de replicantes nas direções X, Y e Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Replicar" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Replicar direção X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Replicar direção Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Replicar direção Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Quantidade total de etapas de tempo para executar a simulação." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Total de Etapas" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Defina as velocidades iniciais do átomo para a simulação." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Velocidades Iniciais" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Selecionar distribuição das velocidades iniciais do átomo." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussiana" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "uniforme" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" "Definir velocidades iniciais do átomo para corresponder a esta temperatura." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Remover momento linear do sistema das velocidades iniciais." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Momento Linear Zero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Remover momento angular do sistema das velocidades iniciais." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Momento Angular Zero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Controlar saída termodinâmica durante a simulação." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Saída" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Intervalo de Saída" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Estilo de Saída Termodinâmica." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Multi Linha" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy #| msgid "Generating MDL..." msgid "Generate…" msgstr "Criando…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Descritor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Traduzido por:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Girar em volta:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Origem" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "Eixo X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Eixo Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Eixo Z" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) #, fuzzy #| msgid "Conformer Search..." msgid "Conformer Search" msgstr "Procurar conformação" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) #, fuzzy #| msgid "Method:" msgid "Method" msgstr "Método" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Number of conformers" msgid "Number of conformers:" msgstr "Total de conformações:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) #, fuzzy #| msgid "Systematic Rotor Search" msgid "Systematic rotor search" msgstr "Busca Sistemática de Rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) #, fuzzy #| msgid "Random Rotor Search" msgid "Random rotor search" msgstr "Busca Aleatória de Rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) #, fuzzy #| msgid "Weighted Rotor Search" msgid "Weighted rotor search" msgstr "Busca Ponderada de Rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) #, fuzzy #| msgid "Genetic Algorithm Search" msgid "Genetic algorithm search" msgstr "Busca de Algoritmo Genético" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy #| msgid "\"Energy\" convergence:" msgid "Convergence:" msgstr "Convergência:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Algoritmo de otimização:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Técnica de busca em linha:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Descida Inclinada" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Simples" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Método de Newton" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "distância de corte de Van der Waals:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Frequência de atualização do par:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "distância de corte eletrostático:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "Å" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "\"Energia\" de convergência:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "Construtor de Script OpenMM" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Script do trabalho:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "script" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Coordenadas de Entrada:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Topologia de Entrada:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Campo de Força:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Solvente Implícito (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Plataforma:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Referência" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Precisão:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "dupla" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "Índice da Plataforma OpenCL:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Restrições:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr " nm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Velocidade inicial aleatória:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrador:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Browniano" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "Intervalo de tempo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr " fs" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Taxa de colisão:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Temperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Barostato:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Pressão:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Intervalo do Barostato" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) #, fuzzy #| msgid "Equilibriation Steps:" msgid "Equilibration Steps:" msgstr "Etapas de Equilíbrio:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Etapas de Produção:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Minimizar?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "Opções StateData:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Tempo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Rapidez" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Progresso" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Energia Potencial" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Energia Cinética" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Energia Total" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "Volume" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "Opções para traçar PDF" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Raio Máximo:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Etapa (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Opções de Padrão de DRX Teórico" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" "

      O alargamento do pico na base (em graus).

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" "

      O valor 2theta máximo em graus.

      Predefinição: " "162.00°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" "

      O alargamento dos picos na base em graus.

      Predefinição: 0.52958°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Quantidade de pontos:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Largura do pico:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Comprimento de onda:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" "

      O comprimento de onda do raio-x em angstroms.

      Predefinição: 1.50560 Å

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" "

      A quantidade de pontos 2theta a criar.

      Predefinição: 1000

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "Máx 2*theta:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Descarregar Selecionados" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Raio do Ponto Crítico:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Raio do Caminho da Ligação:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalente" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Tamanho Constante" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Aplicar Cor" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy #| msgid "&Scaling Factor:" msgid "Scale Factor:" msgstr "Fator de Escala:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Peak width:" msgid "Peak Width:" msgstr "Largura do pico:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) #, fuzzy msgid "&Appearance" msgstr "&Aspecto" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) #, fuzzy #| msgid "&Import" msgid "&Import..." msgstr "&Importar" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Definir Cor..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Espectro Importado:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) #, fuzzy #| msgid "&Export" msgid "&Export..." msgstr "&Exportar" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Export Calculated Spectrum" msgid "Calculated Spectra:" msgstr "Espectro calculado:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy #| msgid "10^" msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) #, fuzzy #| msgid "&Export" msgid "Export Data" msgstr "Exportar dados" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "Fe&char" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Controles:\n" "Duplo clique esquerdo: Restaura limites padrão de eixos\n" "Clique direito + arrastar: Move gráfico\n" "Clique do meio + arrastar: Ampliação da região\n" "Roda do rato: Ampliação para o cursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "&Carregar dados..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Muito Baixo" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Baíxo" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Médio" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Alto" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Muito Alto" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Criar Superfícies" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Superfície:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alfa" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Cor por:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy #| msgctxt "Electrostatic potential surface type" #| msgid "Electrostatic Potential" msgid "Electrostatic Potential" msgstr "Potencial Electrostático" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolução:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Claro" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calcular" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molécula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Átomos simetricamente equivalentes:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operações" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Elementos de simetria:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Subgrupos" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Subgrupos:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolerância:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Justo" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normal" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Solto" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Detetar Simetria" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) #, fuzzy #| msgid "Center" msgid "Centers" msgstr "Centralizar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) #, fuzzy msgid "Formal Charge:" msgstr "Carga Formal:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "Tipo:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "Da área de transferéncia" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy #| msgid "Group %1" msgid "Groups" msgstr "Grupo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Group %1" msgid "Group:" msgstr "Grupo:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Modos Vibracionais" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "Iniciar Animação" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "Parar Animação" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Ivo Fernandes,Leandro Boscariol,Tiago Silva," "nitrofurano, ,Launchpad Contributions:,Ivo Fernandes, ,Launchpad " "Contributions:,Arrepiadd,Ivo Fernandes, ,Launchpad Contributions:,Arrepiadd," "Frederico Tavares,Geoff Hutchison,Ivo Fernandes,Tiago Silva, ,Launchpad " "Contributions:,Arrepiadd,Avogadro Team,Frederico Tavares,Geoff Hutchison,Ivo " "Fernandes,Tiago Silva, ,Launchpad Contributions:,Arrepiadd,Avogadro Team," "Frederico Tavares,Geoff Hutchison,Ivo Fernandes,Tiago, ,Launchpad " "Contributions:,Arrepiadd,Avogadro Team,Frederico Tavares,Geoff Hutchison,Ivo " "Fernandes,Tiago, ,Launchpad Contributions:,Arrepiadd,Avogadro Team,Frederico " "Tavares,Geoff Hutchison,Ivo Fernandes,Tiago Silva, ,Launchpad Contributions:," "Almufadado,Arrepiadd,Avogadro Team,David Rodrigues,Frederico Tavares,Geoff " "Hutchison,Ivo Fernandes,Nuno Sousa Cerqueira,Tiago Silva, ,Launchpad " "Contributions:,Almufadado,Arrepiadd,Avogadro Team,David Rodrigues,Frederico " "Tavares,Geoff Hutchison,Ivo Fernandes,Nuno Sousa Cerqueira,Tiago Silva, ," "Launchpad Contributions:,Almufadado,Arrepiadd,Avogadro Team,David Rodrigues," "Frederico Tavares,Geoff Hutchison,Ivo Xavier,Nuno Sousa Cerqueira,Tharmas," "Tiago Silva,danielagos, ,Launchpad Contributions:,Almufadado,Arrepiadd," "Avogadro Team,David Rodrigues,Frederico Tavares,Geoff Hutchison,Ivo Xavier," "Manuel Silva,Nuno Sousa Cerqueira,Tharmas,Tiago S.,Tiago S.,Tiago Silva," "danielagos, ,Launchpad Contributions:,Almufadado,Arrepiadd,Avogadro Team," "David Rodrigues,Frederico Tavares,Geoff Hutchison,Ivo Xavier,Manuel Silva," "Nuno Sousa Cerqueira,Tharmas,Tiago S.,Tiago Santos,Tiago Silva,danielagos" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,ivofernandes12@gmail.com,,,,,,ivofernandes12@gmail.com,,,," "ivofernandes12@gmail.com,,,,,,ivofernandes12@gmail.com,,,,,avogadro-" "devel@lists.sourceforge.net,,,ivofernandes12@gmail.com,,,,,avogadro-" "devel@lists.sourceforge.net,,,ivofernandes12@gmail.com,,,,,avogadro-" "devel@lists.sourceforge.net,,,ivofernandes12@gmail.com,,,,,avogadro-" "devel@lists.sourceforge.net,,,ivofernandes12@gmail.com,,,,,,avogadro-" "devel@lists.sourceforge.net,david.rodrigues@gmail.com,,,ivofernandes12@gmail." "com,,,,,,,avogadro-devel@lists.sourceforge.net,david.rodrigues@gmail.com,,," "ivofernandes12@gmail.com,,,,,,,avogadro-devel@lists.sourceforge.net,david." "rodrigues@gmail.com,,,ivofernandes12@gmail.com,,,,danielagostinho@sapo." "pt,,,,,avogadro-devel@lists.sourceforge.net,david.rodrigues@gmail.com,,," "ivoxavier.8@gmail.com,manuel.n.silva@gmail.com,,,,,,danielagostinho@sapo." "pt,,,,,avogadro-devel@lists.sourceforge.net,david.rodrigues@gmail.com,,," "ivoxavier.8@gmail.com,manuel.n.silva@gmail.com,,,,,,danielagostinho@sapo.pt" #~ msgid "Partial Charge" #~ msgstr "Carga Parcial" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animação" #, fuzzy #~| msgid "Van der Waals (AO)" #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals (OA)" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "Exibição simples de esferas VdW com oclusão ambiental." #~ msgid "Geometry" #~ msgstr "Geometria" #~ msgid "Add Unit Cell" #~ msgstr "Adicionar Célula Unitária" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Número Atômico." #, fuzzy #~ msgid "By Distance" #~ msgstr "Distância:" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Número Atômico." #, fuzzy #~| msgid "Copy" #~ msgid "&Copy" #~ msgstr "Copiar" #, fuzzy #~| msgid "Molecule Charge:" #~ msgid "Molecule Name:" #~ msgstr "Carga Molecular:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Massa Molecular (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Fórmula Química:" #~ msgid "Number of Atoms:" #~ msgstr "Número de Átomos:" #~ msgid "Number of Bonds:" #~ msgstr "Número de Ligações:" #, fuzzy #~| msgid "Optimize Geometry" #~ msgid "Optimize" #~ msgstr "Otimizar Geometria" #, fuzzy #~ msgid "In." #~ msgstr "Em:" #~ msgid "ABPS Input (*.in)" #~ msgstr "Entrada ABPS (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "Selecionar o interpretador python usado para executar scripts de criador " #~ "de entrada.\n" #~ "O Avogadro deve ser reiniciado para que as alterações tenham efeito." #, fuzzy #~| msgid "Set Python Path..." #~ msgid "Set Python Path…" #~ msgstr "Definir Caminho Python..." #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragmento..." #, fuzzy #~| msgid "Functional" #~ msgid "Functional Groups" #~ msgstr "Funcional" #~ msgid "Help..." #~ msgstr "Ajuda..." #~ msgid "Submit Calculation..." #~ msgstr "Submeter Cálculo..." #~ msgid "Save File..." #~ msgstr "Gravar Ficheiro..." #~ msgid "Record Movie..." #~ msgstr "Gravar Vídeo..." #~ msgid "Other..." #~ msgstr "Outro..." #~ msgid "Client server operations." #~ msgstr "Operações cliente-servidor." #~ msgid "S&erver" #~ msgstr "S&ervidor" #~ msgid "Connection failed" #~ msgstr "Falha na conexão" #, qt-format #~ msgid "The connection to %2:%3 failed: connection refused." #~ msgstr "A conexão com %2:%3 falhou: conexão recusada." #~ msgid "Remote service error" #~ msgstr "Erro de serviço remoto" #, qt-format #~ msgid "Connection failed with: %1" #~ msgstr "A conexão falhou com: %1" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*.%1" #~ msgid "Client server" #~ msgstr "Servidor do cliente" #~ msgid "Connection refused" #~ msgstr "Conexão recusada" #, qt-format #~ msgid "Connection to %2:%3 succeeded!" #~ msgstr "Conexão a %2:%3 bem-sucedida!" #~ msgid "Filename" #~ msgstr "Nome do ficheiro" #~ msgid "Formula" #~ msgstr "Fórmula" #~ msgid "Mongo Chem Server" #~ msgstr "Servidor Mongo Chem" #~ msgid "Interface with Mongo Chem Server." #~ msgstr "Interface com Servidor Mongo Chem." #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Estrutura:" #~ msgid "Server settings" #~ msgstr "Configurações de servidor" #~ msgid "&Hostname:" #~ msgstr "Nome do &Host:" #~ msgid "Port" #~ msgstr "Porta" #~ msgid "Test C&onnection..." #~ msgstr "Testar C&onexão..." #~ msgid "Look in:" #~ msgstr "Olhar dentro:" #~ msgid "Navigate Back" #~ msgstr "Navegar para Trás" #~ msgid "Navigate Forward" #~ msgstr "Navegar para Frente" #~ msgid "Navigate Up" #~ msgstr "Navegar para Cima" #~ msgid "File name:" #~ msgstr "Nome do Ficheiro:" #~ msgid "OK" #~ msgstr "Aceitar" #~ msgid "Files of type:" #~ msgstr "Ficheiros do tipo:" #~ msgid "Cancel" #~ msgstr "Cancelar" #~ msgid "MongoChem Config" #~ msgstr "Config MongoChem" #~ msgid "API Key:" #~ msgstr "Chave API:" #~ msgid "Image:" #~ msgstr "Imagem:" #~ msgid "Input Parameters:" #~ msgstr "Parâmetros de Entrada:" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Nome do Elemento." #~ msgid "'c' coordinate." #~ msgstr "coordenada de rede 'c'." #~ msgid "All files (*);;" #~ msgstr "Todos os ficheiros (*);;" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Romboédrico" #~ msgid "Insert Molecule..." #~ msgstr "Inserir Molécula..." #~ msgid "Generating 3D molecule..." #~ msgstr "A criar molécula 3D..." #, qt-format #~ msgid "%1: File exists and is not writable." #~ msgstr "%1: Ficheiro existe e não é gravável." #~ msgid "'userOptions' missing, or not an object." #~ msgstr "'userOptions' em falta, ou não um objeto." #, qt-format #~ msgid "Option '%1' not found in userOptions." #~ msgstr "Opção '%1' não encontrada em userOptions." #, qt-format #~ msgid "" #~ "'userOptions' missing, or not an object:\n" #~ "%1" #~ msgstr "" #~ "'userOptions' ausente ou não é um objeto:\n" #~ "%1" #~ msgid "Theory:" #~ msgstr "Teoria:" #, qt-format #~ msgid "Default value missing for option '%1'." #~ msgstr "Valor padrão ausente para a opção '%1'." #~ msgid "Edit Unit Cell..." #~ msgstr "Editar Célula Unitária..." #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #~ msgid "&Import From PQR" #~ msgstr "&Importar de PQR" #, fuzzy #~ msgid "Crystal..." #~ msgstr "Cristal..." #~ msgid "&LAMMPS Input" #~ msgstr "Entrada &LAMMPS" #, fuzzy #~ msgid "Write" #~ msgstr "escrever" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Adicionar Hidrogénios ao pH..." #~ msgid "Error interpreting obabel CML output." #~ msgstr "Erro ao interpretar a saída obabel CML." #~ msgid "Error generating CML data." #~ msgstr "Erro ao criar dados CML." #~ msgid "Atom Properties..." #~ msgstr "Propriedades do átomo..." #~ msgid "Bond Properties..." #~ msgstr "Propriedades da ligação..." #~ msgid "Angle Properties..." #~ msgstr "Propriedades do ângulo..." #~ msgid "Torsion Properties..." #~ msgstr "Propriedades de torsão..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Propriedades da Molécula..." #~ msgid "Create Surfaces..." #~ msgstr "Criar superfícies..." #~ msgid "Symmetry..." #~ msgstr "Simetria..." #~ msgid "&Exit" #~ msgstr "Sai&r" #~ msgid "Insert Fragment..." #~ msgstr "Inserir Fragmento..." #, qt-format #~ msgid "Distance: %L1 Å" #~ msgstr "Distância: %L1 Å" #~ msgid "Rotatable" #~ msgstr "Rotacional" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Confôrmero %1\n" #~ "Tamanho %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Confôrmero %1\n" #~ "Ângulo %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Ângulo %1" #, fuzzy #~ msgid "Angle" #~ msgstr "Ângulo:" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Confôrmero %1\n" #~ "Torsão %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torsão %1" #~ msgid "Torsion" #~ msgstr "Torção" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energia (kJ/mol)" #~ msgid "Yes" #~ msgstr "Sim" #~ msgid "No" #~ msgstr "Não" #~ msgid "Input Generators" #~ msgstr "Geradores de Ficheiro de Entrada" #, fuzzy #~ msgid "Import" #~ msgstr "Importar" #~ msgid "Insert SMILES" #~ msgstr "Inserir SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Inserir fragmento SMILES:" #~ msgid "Insert Crystal" #~ msgstr "Inserir Cristal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Inserir fragmentos moleculares para construir moléculas maiores" #~ msgid "E&xtensions" #~ msgstr "E&xtensões" #~ msgid "Symmetry Properties..." #~ msgstr "Propriedades da Simetria..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimizar Geometria" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Optimização da geometria" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Adicionar Hidrogênios" #, fuzzy #~ msgid "Stopped" #~ msgstr "Parar" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Superfícies" #~ msgid "Color by Index" #~ msgstr "Cor por índice" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Cor por índice (vermelho, laranja, amarelo, verde, azul, violeta)." #~ msgid "Color by Partial Charge" #~ msgstr "Cor por carga parcial" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Cor por carga atómica parcial (azul = positivo, vermelho = negativo)." #~ msgid "Custom Color:" #~ msgstr "Cor Personalizada:" #~ msgid "Set custom colors for objects" #~ msgstr "Definir cor personalizada para objectos" #~ msgid "Color by Distance" #~ msgstr "Cor por distância" #~ msgid "Color by distance from the first atom." #~ msgstr "Cor conforme a distância ao primeiro átomo" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Cor por elemento (carbono = cinzento, oxigénio = vermelho, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Cor por resíudo (tipo de aminoácido, hidrofobicidade, ...)" #~ msgid "SMARTS Pattern:" #~ msgstr "Padrão SMARTS" #~ msgid "Highlight Color:" #~ msgstr "Cor de realce:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Cor por padrão SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "" #~ "Realçar funcionalidades particulares que coincidem com o padrão SMARTS." #~ msgid "Ununtrium" #~ msgstr "Ununtrio" #~ msgid "Ununpentium" #~ msgstr "Ununpentio" #~ msgid "Ununseptium" #~ msgstr "Ununséptio" #~ msgid "Ununoctium" #~ msgstr "Ununóctio" #~ msgid "Engines" #~ msgstr "Motores" #~ msgid "Axes" #~ msgstr "Eixos" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Mostra as primitivas utilizando Bolas (átomos) e varetas (ligações)" #~ msgid "Hydrogen Bond" #~ msgstr "Ponte de Hidrogénio" #~ msgid "Renders hydrogen bonds" #~ msgstr "Mostra as pontes de hidrogénio" #~ msgid "Select Atom Labels Color" #~ msgstr "Seleccionar a cor dos símbolos dos átomos" #~ msgid "Select Bond Labels Color" #~ msgstr "Seleccionar Cor do Texto da Ligação Química" #~ msgid "Select Bond Labels Font" #~ msgstr "Seleccionar Fonte de Texto da Ligação Química" #~ msgid "Polygon" #~ msgstr "Polígono" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Mostra os átomos como tetraedros, octaedros e outros polígonos" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Mostra o esqueleto da proteína como fita" #~ msgid "Ring" #~ msgstr "Anel" #~ msgid "Renders rings with colored planes" #~ msgstr "Mostra os anéis com planos coloridos" #~ msgid "Simple Wireframe" #~ msgstr "Linha simples" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Mostra as ligações como linhas, ideal para moléculas grandes" #~ msgid "Van der Waals Spheres" #~ msgstr "Esferas de Van der Waals" #~ msgid "Stick" #~ msgstr "Vareta" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Densidade electrónica, isosuperfície = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosuperfície = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Mostra as ligações como linhas, ideal para (bio)moléculas muito grandes" #~ msgid "Trajectory files" #~ msgstr "Ficheiros de trajectorias" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Ficheiros DL-POLY HISTORY" #~ msgid "Open Trajectory File" #~ msgstr "Abrir Ficheiro de Trajectoria" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Adicionar extensão .avi" #~ msgid "Animation..." #~ msgstr "Animação..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Não foi possível ler o formato do arquivo %1" #~ msgid "Read trajectory file %1 failed." #~ msgstr "Leitura do ficheiro de trajectória %1 falhou." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Deve especificar um nome válido para o ficheiro .avi" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "Aplicativo GL não foi correctamente iniciado para guardar vídeo" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Nome de ficheiro de vídeo inválido. Deve incluir o caminho de directório " #~ "completo." #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Nome de ficheiro de vídeo inválido. Deve incluir o caminho de directório " #~ "completo, terminando com .avi." #~ msgid "Could not determine format from filename: %1" #~ msgstr "Não foi possível determinar o formato do ficheiro: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animar trajectórias, reacções e vibrações." #~ msgid "Cartesian Editor" #~ msgstr "Editor Cartesiano" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Sem células unitárias definidas para a molécula -- não pode usar " #~ "coordenadas fraccionárias." #~ msgid "Cartesian Editor..." #~ msgstr "Editor Cartesiano" #~ msgid "Cartesian editor" #~ msgstr "editor Cartesiano" #~ msgid "Number of atoms: %1" #~ msgstr "Número de átomos: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Número de ligações rotacionais: %1" #~ msgid "Add constraint" #~ msgstr "Adicionar restrição" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "A molécula deve conter pelo menos um átomo para poder adicionar uma " #~ "restrição." #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "A molécula deve conter pelo menos dois átomos para poder adicionar uma " #~ "restrição à ligação." #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "A molécula deve conter pelo menos quatro átomos para poder adicionar uma " #~ "restrição à torção." #~ msgid "&Crystallography" #~ msgstr "&Cristalografia" #~ msgid "&Reduce" #~ msgstr "&Reduzir" #~ msgid "&Length Unit" #~ msgstr "Unidade de &Comprimento" #~ msgid "&Angle Unit" #~ msgstr "Unidade de &Ângulo" #~ msgid "Coordinate &Preservation" #~ msgstr "&Preservação de Coordenada" #~ msgid "&Matrix Display" #~ msgstr "Mostrar &Matrix" #~ msgid "Show &Editors" #~ msgstr "Mostrar &Editores" #~ msgid "Hide &Property Display" #~ msgstr "Esconder Tela de &Propriedades" #~ msgid "Show &Property Display" #~ msgstr "Mostrar Tela de &Propriedades" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Tipo de Rede: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Grupo espacial de simetria: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Unidade de volume da célula: %L1%2" #~ msgid "Undefined" #~ msgstr "Indefinido" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triclínico" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoclínico" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ortorrômbico" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonal" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Cúbico" #~ msgid "Paste Crystal" #~ msgstr "Colar Cristal" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Falha na redução Niggli. A estrutura de entrada está a confundir o " #~ "algoritmo de redução Niggli. Tente fazer uma pequena perturbação (cerca " #~ "de duas ordens de magnitude menor do que a tolerância) para a entrada de " #~ "reticulados e tente novamente." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Falha ao reduzir célula após 1000 iterações do algoritmo de redução. A " #~ "interromper." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Rodar para &Orientação Padrão" #~ msgid "&Slab..." #~ msgstr "&Fatiar" #~ msgid "Perceive Space&group..." #~ msgstr "Percepção do &Grupo Espacial..." #~ msgid "Set &Spacegroup..." #~ msgstr "Definir &Grupo espacial" #~ msgid "&Fill Unit Cell" #~ msgstr "&Preencher Célula Unitária" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "" #~ "&Preencher a célula unitária usando o grupo espacial de simetria actual." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Reduzir à Unidade &Assimétrica" #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Si&metrizar Cristal" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Reduzir Célula (&Primitiva)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanómetro" #~ msgid "&Picometer" #~ msgstr "&Picómetro" #~ msgid "&Degree" #~ msgstr "&Graus" #~ msgid "&Radian" #~ msgstr "&Radianos" #~ msgid "Display &cartesian coordinates" #~ msgstr "Mostrar coordenadas &cartesianas" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Preservar Coordenadas &Cartesianas Durante Modificação da Célula" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Preservar Coordenadas &Fraccionais Durante a Modificação da Célula" #~ msgid "Display &cartesian matrix" #~ msgstr "Mostrar matrix &cartesiano" #~ msgid "Display as &row vectors" #~ msgstr "Mostrar como vetores em &linha" #~ msgid "Display as &column vectors" #~ msgstr "Mostrar como vetores &colunares" #~ msgid "&Crystal View Options..." #~ msgstr "Opções de Visualização de &Cristais..." #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Não existe um grupo espacial definido para este documento.\n" #~ "\n" #~ "Deseja definir um grupo espacial agora?" #~ msgid "Symmetrize Crystal" #~ msgstr "Simetrizar Cristal" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Condensar Átomos Para Célula" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Reduzir a Célula de Niggli" #~ msgid "Crystallography" #~ msgstr "Cristalografia" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Construir e analisar estruturas periódicas." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "A entrada não está formatada como um\n" #~ "dos seguintes formatos suportados:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "Formato VASP\n" #~ msgid "Cartesian Coordinates" #~ msgstr "Coordenadas Cartesianas" #~ msgid "Fractional Coordinates" #~ msgstr "Coordenadas Fraccionais" #~ msgid "Set Fractional Coordinates" #~ msgstr "Definir Coordenadas Fracionais" #~ msgid "Set Unit Cell Params" #~ msgstr "Definir Parâmetros da Célula Unitária" #~ msgid "Working..." #~ msgstr "A Processar..." #~ msgid "Build" #~ msgstr "Construir" #~ msgid "Cut Slab From Crystal" #~ msgstr "Cortar Placa do Cristal" #~ msgid "No GLWidget?" #~ msgstr "Sem GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Por favor, escolher um ou mais átomos." #~ msgid "Trajectory..." #~ msgstr "Trajectória..." #~ msgid "Open chemical file format" #~ msgstr "Abrir ficheiro do formato químico" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Ficheiros químicos (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Abrir ficheiro de parâmetros" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Ficheiros químicos (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importar trajectória" #~ msgid "Import trajectory files" #~ msgstr "Importar ficheiros de trajectória" #~ msgid "Calculate Energy" #~ msgstr "Calcular energia" #~ msgid "Constraints..." #~ msgstr "Restrições..." #~ msgid "ForceField" #~ msgstr "Campo de Força" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimizar moléculas e gerar conformações, usando campos de força molecular" #~ msgid "&Vector Graphics..." #~ msgstr "Gráficos &Vectoriais..." #~ msgid "Common vector image formats" #~ msgstr "Formatos de imagem vectorial comuns" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Exportar gráfico vetorial" #~ msgid "Change H to Methyl" #~ msgstr "Mudar H para Metilo." #~ msgid "H to Methyl" #~ msgstr "H para Metilo" #~ msgid "H2Methyl" #~ msgstr "H2Metilo" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transformar hidrogénios em grupos metilo" #~ msgid "Add or remove hydrogens" #~ msgstr "Adicionar ou remover hidrogénios" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Inserir cadeias de ADN/ARN" #~ msgid "Peptide..." #~ msgstr "Peptídeo" #~ msgid "Insert oligopeptide sequences" #~ msgstr "Inserir sequências oligopeptídeas" #~ msgid "Invert Chirality" #~ msgstr "Inverter Quiralidade" #~ msgid "Invert chiral centers" #~ msgstr "Inverter centros quirais" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "desconhecido" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Momento Dipolo (D) Estimado:" #~ msgid "Display standard molecular properties." #~ msgstr "Mostra as propriedades moleculares padrão." #~ msgid "Fetch by chemical name..." #~ msgstr "Procura pelo nome químico..." #~ msgid "Fetch from URL..." #~ msgstr "Procurando a partir do URL..." #~ msgid "PDB Entry" #~ msgstr "Entrada PDB" #~ msgid "PDB entry to download." #~ msgstr "Entrada PDB a descarregar." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL da molécula para download." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "A molécula especificada não pode ser carregada: %1" #~ msgid "Network Fetch" #~ msgstr "Procura de Rede" #~ msgid "Fetch molecule files over the network." #~ msgstr "Procurando ficheiros de moléculas através da rede." #~ msgid " No vibration data found!" #~ msgstr " Nenhum dadod de vibração encontrado!" #~ msgid " No vibration data found or molecule changed outside Orca Plugin!" #~ msgstr "" #~ " Nenhum dado de vibração encontrado ou a molécula mudou para fora do " #~ "complemento Orca!" #~ msgid "extended Geometry File" #~ msgstr "Ficheiro de Geometria Extendida" #~ msgid "Read Orca Outputfile" #~ msgstr "Ler Ficheiro de Saída Orca" #~ msgid "no file found" #~ msgstr "nenhum ficheiro encontrado" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Algo está errado com a estrutura do ficheiro" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "Algo está errado com a estrutura do ficheiro - unitcells" #~ msgid "Something is wrong in the IR output! " #~ msgstr "Algo está errado com a saída IR! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "Algo está errado com a saída raman! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "Algo está errado com a saída de energia orbital! " #~ msgid "No geometry found in file!" #~ msgstr "Nenhum ficheiro de geometria encontrado!" #~ msgid "Could not read file!" #~ msgstr "Não foi possível ler o ficheiro!" #~ msgid "Analyse Orca Output..." #~ msgstr "A analisar a saída Orca..." #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "Orca Test Example" #~ msgstr "Exemplo Teste Orca" #~ msgid "Provides a dialog box with the words \"H...\"." #~ msgstr "Apresenta uma caixa de diálogo \"H...\"" #~ msgid "ORCA Input Deck" #~ msgstr "Entrada Deck ORCA" #~ msgid "Show Preview" #~ msgstr "Mostrar a Antevisão" #~ msgid "Hide Preview" #~ msgstr "Esconder a Antevisão" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Gravar a imagem renderizada no formato POV-RAY" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Ficheiros de imagem (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "O nome do ficheiro fornecido não é válido." #~ msgid "Does not compute." #~ msgstr "Não é possível calcular." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Não pediu nenhuma renderização direta utilizando POV-Ray nem pediu para " #~ "manter o ficheiro do POV-Ray. Isso resultará que nenhuma saída será " #~ "guardada. Tem certeza de que é isso que quer?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Não é possível guardar o ficheiro %1. Tem permissões para guardar o " #~ "ficheiro nessa localização?" #~ msgid "POV-Ray failed to start." #~ msgstr "Não foi possível inicializar o programa POV-RAY." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray não conseguiu iniciar corretamente. Verifique s o caminho do " #~ "executável está correto." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Criar ficheiros POV-Ray e renderizá-los utilizando a linha de comandos do " #~ "programa POV-Ray." #~ msgid "Conformer Properties..." #~ msgstr "Propriedades de conformação..." #~ msgid "Python Terminal" #~ msgstr "Terminal Python" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Consola Interativo do Python" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Entrada Deck Abinit" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Quer atualizar o texto, perdendo todas as alterações feitas no painel de " #~ "previsão da entrada deck abinit?" #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Gostaria de actualizar o texto prévio, perdendo todas as mudanças feitas " #~ "no ficheiro de entrada de dados Dalton?" #~ msgid "QM Matches" #~ msgstr "Resultados para MQ" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Selecção EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Selecção QM" #~ msgid "Delete" #~ msgstr "Apagar" #~ msgid "You must make a selection!" #~ msgstr "Deve fazer uma selecção!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Conversão SMILES indisponível" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Conversão para o formato SMILES não disponível!" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "" #~ "Criar ficheiros de dados para a aplicação de química quântica GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Definições Avançadas Alteradas" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "As definições avançadas foram alteradas.\n" #~ "Ignorar?" #~ msgid "Advanced Settings Reset" #~ msgstr "Anular Definições Avançadas" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Tem a certeza que deseja anular as definições avançadas?\n" #~ "Todas as mudançãs serão perdidas!" #~ msgid "Basic Settings Reset" #~ msgstr "Anular Definições Básicas" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Tem a certeza que quer anular todas as definições básicas?\n" #~ "Todas as mudanças serão perdidas!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Entrada Deck GAMESS-UK" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Quer atualizar o texto, perdendo todas as alterações feitas no painel de " #~ "previsão da entrada deck GAMESS-UK?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Entrada Deck GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Entrada Deck Gaussiana" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Quer atualizar o texto, perdendo todas as alterações feitas no painel de " #~ "previsão da entrada deck Gaussiana?" #~ msgid "Gaussian Input Deck" #~ msgstr "Entrada Deck Gaussiana" #~ msgid "Gaussian Running." #~ msgstr "Executando Gaussian." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian já está em funcionamento. Aguarde até que o cálculo tenha " #~ "terminado." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian Não Instalado." #~ msgid "The G03 executable, cannot be found." #~ msgstr "O executável G03 não foi encontrado." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 não consegue iniciar. Poderá não estar correctamente instalado." #~ msgid "Running Gaussian calculation..." #~ msgstr "Executando cálculo Gaussian..." #~ msgid "G03 Crashed." #~ msgstr "G03 falhou." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian não consegue ser correctamente executado. Poderá não estar " #~ "correctamente instalado." #~ msgid "&Abinit..." #~ msgstr "&Abinit..." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO" #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Entrada Deck Lammps" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Entrada Deck Lammps Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Quer atualizar o texto, perdendo todas as alterações feitas no painel de " #~ "previsão da entrada deck Molpro?" #~ msgid "Molpro Input Deck" #~ msgstr "Entrada Deck Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Alerta da Entrada MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Entrada Deck MOPAC" #~ msgid "MOPAC Running." #~ msgstr "MOPAC em execução." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "MOPAC já está em execução. Aguarde até que o cálculo tenha terminado." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC Não Instalado." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "O executável MOPAC não foi encontrado." #~ msgid "MOPAC failed to start." #~ msgstr "MOPAC falhou em iniciar." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC não consegue iniciar. Poderá não estar correctamente instalado." #~ msgid "Running MOPAC calculation..." #~ msgstr "Executando o cálculo MOPAC..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC falhou." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC não foi executado correctamente. Poderá não estar correctamente " #~ "instalado." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Entrada Deck Lammps NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Quer atualizar o texto, perdendo todas as alterações feitas no painel de " #~ "previsão da entrada deck NWChem?" #~ msgid "NWChem Input Deck" #~ msgstr "Entrada Deck NWChem" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Entrada Deck Psi4" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Quer atualizar o texto, perdendo todas as alterações feitas no painel de " #~ "previsão da entrada deck Psi4?" #~ msgid "Psi4 Input Deck" #~ msgstr "Entrada Deck Psi4" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Entrada Deck Q-Chem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Quer atualizar o texto, perdendo todas as alterações feitas no painel de " #~ "previsão da entrada deck Q-Chem?" #~ msgid "QChem Input Deck" #~ msgstr "Entrada Deck QChem" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Entrada Deck TeraChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Quer atualizar o texto, perdendo todas as alterações feitas no painel de " #~ "previsão da entrada deck TeraChem?" #~ msgid "TeraChem Input Deck" #~ msgstr "Entrada Deck TeraChem" #~ msgid "Select SMARTS..." #~ msgstr "Seleccionar SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Adicionar seleção nomeada..." #~ msgid "SMARTS Selection" #~ msgstr "Selecção SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Seleccionar padrões SMART" #~ msgid "There is no current selection." #~ msgstr "Nenhuma selecção escolhida." #~ msgid "Add Named Selection" #~ msgstr "Adicionar Seleção Nomeada" #~ msgid "Name cannot be empty." #~ msgstr "O campo Nome não pode estar vazio." #~ msgid "There is already a selection with this name." #~ msgstr "Já existe uma selecção com este nome." #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Seleccionar átomos, ligações, resíduos..." #~ msgid "GLSL Shaders..." #~ msgstr "Shaders GLSL..." #~ msgid "Open a vertex shader source file" #~ msgstr "Abrir um ficheiro de textura Vertex" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Ficheiros vertex shader (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Abrir um ficheiro de textura fragmento" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Ficheiro de textura fragmento (*.frag)" #~ msgid "GLSL Shaders" #~ msgstr "Sombreadores GLSL" #~ msgid "Intensity (arb. units)" #~ msgstr "Intensidade (unidades arb.)" #~ msgid "Density of States (states/atom)" #~ msgstr "Densidade dos Estados (estados/átomo)" #~ msgid "Transmittance (%)" #~ msgstr "Transmitância (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorvância (%)" #~ msgid "No intensities" #~ msgstr "Sem intensidades." #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Os dados de vibração da molécula que foram carregados não possuem " #~ "intensidade de dados suficiente. Foram atribuídos valores arbitrários de " #~ "intensidade para permitir a visualização." #~ msgid "Activity" #~ msgstr "Atividade" #~ msgid "X Axis" #~ msgstr "Eixo XX" #~ msgid "Y Axis" #~ msgstr "Eixo YY" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Definições do Espectro &Infravermelho" #~ msgid "&NMR Spectra Settings" #~ msgstr "Definições do Espectro &NMR" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "&UV Settings" #~ msgstr "Definições &UV" #~ msgid "&CD Settings" #~ msgstr "Definições &CD" #~ msgid "&Raman Settings" #~ msgstr "Definições &Raman" #~ msgid "No data" #~ msgstr "Sem dados" #~ msgid "Dark" #~ msgstr "Escuro" #~ msgid "Publication" #~ msgstr "Publicação" #~ msgid "Handdrawn" #~ msgstr "Desenhado manualmente" #~ msgid "New Scheme" #~ msgstr "Novo Esquema" #~ msgid "Confirm Scheme Removal" #~ msgstr "Confirme remoção do esquema" #~ msgid "Really remove current scheme?" #~ msgstr "Quer mesmo remover o esquema actual?" #~ msgid "Change Scheme Name" #~ msgstr "Mudar o nome do esquema" #~ msgid "Enter new name for current scheme:" #~ msgstr "Digite novo nome para o esquema." #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Valores separados por vírgulas (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Valores separados por vírgulas" #~ msgid "Comma Separated Values" #~ msgstr "Valores separados por vírgulas" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Extensão desconhecida: %1" #~ msgid "Data Format" #~ msgstr "Formato dos Dados" #~ msgid "Load Spectral Data" #~ msgstr "Carregando Dados do Espectro" #~ msgid "Portable Network Graphics" #~ msgstr "Formato PNG" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Formato TIFF" #~ msgid "Windows Bitmap" #~ msgstr "Imagem do Windows" #~ msgid "Portable Pixmap" #~ msgstr "Pixmap portátil" #~ msgid "X11 Bitmap" #~ msgstr "Bitmap X11" #~ msgid "X11 Pixmap" #~ msgstr "Pixmap X11" #~ msgid "Save Spectra Image" #~ msgstr "Guardar Imagem do Espectro" #~ msgid "&Advanced <<" #~ msgstr "&Avançado <<" #~ msgid "&Advanced >>" #~ msgstr "&Avançado >>" #~ msgid "&Spectra..." #~ msgstr "E&spectro..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "" #~ "Visualizar dados do espectro a partir de cálculos químicos quânticos" #~ msgid "Vibrational Analysis" #~ msgstr "Análise Vibracional" #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "" #~ "Visualizar os modos vibracionais a partir de cálculos químicos quânticos" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Ordenado %1 vibrações por frequência..." #~ msgid "Pause" #~ msgstr "Pausa" #~ msgid "Super Cell Builder..." #~ msgstr "Construtor de Super Célula" #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Este documento é, actualmente, uma molécula isolada. Necessita de criar " #~ "uma célula unitária." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Desenhar e ver super células cristalográficas." #~ msgid "Molecular Orbitals..." #~ msgstr "Orbitais Moleculares..." #~ msgid "Orbitals" #~ msgstr "Orbitais" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Densidade Electrónica" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Erro - tipo indefinido" #~ msgid "Calculating VdW Cube" #~ msgstr "A calcular Cubo VdW" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Calculando OM %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Building..." #~ msgstr "A construir..." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "O widget GL não foi iniciado corretamente, impossibilitando que se crie " #~ "um vídeo." #~ msgid "Building video " #~ msgstr "Construindo vídeo " #~ msgid "Could not run mencoder." #~ msgstr "Não é possível executar mencoder," #~ msgid "Set Aspect Ratio" #~ msgstr "Setar Razão de Aspecto" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "A cena atual do Avogadro tem %1x%2 pixeis de largura e o seu rácio é %3.\n" #~ "Pode manter este valor, por exemplo se quiser utilizar POV-Ray\n" #~ "para produzir uma imagem de %4x1000 pixeis ou se introduzir outro valor\n" #~ "positivo, como por exemplo 1 se quiser utilizar POV-Ray para produzir " #~ "imagens\n" #~ "quadradas tais como 1000x1000 pixeis." #~ msgid "VRML..." #~ msgstr "VRML..." #~ msgid "Connect" #~ msgstr "Conetar" #~ msgid "Disconnect" #~ msgstr "Desconetar" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "O contexto de OpenGL é inválido.\n" #~ "Ou algo está completamente errado na sua configuração do OpenGL (consegue " #~ "correr alguma aplicação de OpenGL?), ou então descobriu um erro." #~ msgid "Debug Information" #~ msgstr "Informação de Depuração" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "Atoms: %L1" #~ msgstr "Átomos: %L1" #~ msgid "File type '%1' is not supported for reading." #~ msgstr "O ficheiro do tipo '%1' não é suportado para leitura." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "O tipo de ficheiro '%1' não é suportado para leitura." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "" #~ "A leitura da molécula com índice %1 a partir do ficheiro '%2' falhou." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "O tipo de ficheiro '%1' não é suportado para escrita." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Não é possível abrir o ficheiro '%1' para leitura." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "A substituição da molécula com o índice %1 no ficheiro '%2' falhou." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Não é possível abrir o ficheiro %1 para leitura." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "A gravação do ficheiro molecular falhou - não é possível renomear o " #~ "ficheiro original." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "A gravação do ficheiro molecular falhou - não é possível renomear o novo " #~ "ficheiro." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "A gravação do ficheiro molecular falhou - não é possível remover o " #~ "ficheiro antigo." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "O ficheiro %1 não pode ser aberto para escrita." #~ msgid "Molecule %1" #~ msgstr "Molécula %1" #~ msgid "Unknown Python Engine" #~ msgstr "Motor de Python Desconhecido" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: a verificar " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - o programa não tem nenhuma classe 'Engine' definida" #~ msgid " - no module" #~ msgstr " - sem módulo" #~ msgid "Unknown Python Extension" #~ msgstr "Extensão de Python Desconhecida" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: a verificar " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - o programa não tem nenhuma classe 'Extension' definida" #~ msgid "Unknown Python Tool" #~ msgstr "Ferramenta de Python Desconhecida" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: a verificar " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - o programa não tem nenhuma classe 'Tool'" #~ msgid "Tools" #~ msgstr "Ferramentas" #~ msgid "Align:" #~ msgstr "Alinhamento:" #~ msgid "Everything" #~ msgstr "Tudo" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Não foi possível definir o campo de forças...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "Opç. Auto: E = %1 %2 (dE = %3)" #~ msgid "Steps per Update:" #~ msgstr "Passos por Actualização:" #~ msgid "Algorithm:" #~ msgstr "Algoritmo:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Dinâmica Molecular (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dinâmica Molecular (900K)" #~ msgid "Start" #~ msgstr "Iniciar" #~ msgid "Fixed atoms are movable" #~ msgstr "Os átomos fixos são amovíveis" #~ msgid "Ignored atoms are movable" #~ msgstr "Os átomos ignorados são amovíveis" #~ msgid "AutoOpt Molecule" #~ msgstr "Molécula AutoOpt" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Optimização automática da geometria molecular" #~ msgid "AutoOptimization Settings" #~ msgstr "Definições de Auto-Optimização" #~ msgid "Auto Rotation Tool" #~ msgstr "Ferramenta de Rotação Automática" #~ msgid "x rotation:" #~ msgstr "Rotação em X:" #~ msgid "x rotation" #~ msgstr "rotação em X" #~ msgid "y rotation:" #~ msgstr "Rotação em Y:" #~ msgid "y rotation" #~ msgstr "rotação em Y" #~ msgid "z rotation:" #~ msgstr "Rotação em Z:" #~ msgid "z rotation" #~ msgstr "rotação em Z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Rotação automática das moléculas" #~ msgid "AutoRotate Settings" #~ msgstr "Definições de rotação automática" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Comprimento da ligação: %L1" #~ msgid " Show Angles" #~ msgstr " Mostrar os Ângulos" #~ msgid "Bond Centric Manipulate" #~ msgstr "Manipular Ligação Cêntrica" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Manipulação dos comprimentos de ligação, ângulos e torsões" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distância (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distância (3->4): %L1 %2" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distância(s):" #~ msgid "Draw Bond" #~ msgstr "Desenhar a Ligação" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Desenhar e editar os átomos e as ligações" #~ msgid "Draw Settings" #~ msgstr "Definições de Desenho" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Translaccionar, rodar e ajustar os átomos e os fragmentos" #~ msgid "Manipulate Settings" #~ msgstr "Definições de Manipulação" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Translaccionar, rodar e ampliar a visualização actual" #~ msgid "Navigate Settings" #~ msgstr "Definições de Navegação" #~ msgid "Selection Mode:" #~ msgstr "Modo de Selecção:" #~ msgid "Atom/Bond" #~ msgstr "Átomo/Ligação" #~ msgid "Residue" #~ msgstr "Resíduo" #~ msgid "Symbol" #~ msgstr "Símbolo" #~ msgid "Bond Length" #~ msgstr "Comprimento da Ligação" #~ msgid "Dihedral Angle" #~ msgstr "Ângulo Diédrico" #~ msgid "Z Matrix Editor..." #~ msgstr "Editor da Matriz Z..." #~ msgid "Create/edit a z-matrix" #~ msgstr "Criar/editar uma matriz-z" #~ msgid "Z-Matrix Settings" #~ msgstr "Definições da Matriz-Z" #~ msgid "Hydrophobicity" #~ msgstr "Hidrofobia" #~ msgid "Atom Radius:" #~ msgstr "Raio Atómico:" #~ msgid "Bond Radius:" #~ msgstr "Raio da Ligação:" #~ msgid "Shape" #~ msgstr "Forma" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Ciclo" #~ msgid "Dipole:" #~ msgstr "Dipolo:" #~ msgid "Width:" #~ msgstr "Largura:" #~ msgid "Cut-off radius:" #~ msgstr "Raio de corte:" #~ msgid "Cut-off angle:" #~ msgstr "Ângulo de corte:" #~ msgid "Symbol & Atom number" #~ msgstr "Símbolo e Número Atómico" #~ msgid "Partial charge" #~ msgstr "Carga Parcial" #~ msgid "Residue number" #~ msgstr "Número do resíduo" #~ msgid "Bond length" #~ msgstr "Comprimento da ligação" #~ msgid "Bond number" #~ msgstr "Número da ligação" #~ msgid "Bond order" #~ msgstr "Ordem da ligação" #~ msgid "Radius:" #~ msgstr "Raio:" #~ msgid "Include Nitrogens" #~ msgstr "Incluir os Azotos" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Fill" #~ msgstr "Preencher" #~ msgid "Points" #~ msgstr "Pontos" #~ msgid "Draw Box:" #~ msgstr "Caixa de Desenho:" #~ msgid "Mapped Colors" #~ msgstr "Cores Mapeadas" #~ msgid "Positive" #~ msgstr "Positivo" #~ msgid "Negative" #~ msgstr "Negativo" #~ msgid "Show Atoms" #~ msgstr "Mostrar os Átomos" #~ msgid "Animate Trajectory" #~ msgstr "Animar Trajectória" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Ciclo" #~ msgid "Save as .avi..." #~ msgstr "Guardar como .avi..." #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "Number of atoms:" #~ msgstr "Total de átomos:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Total de ligações rotacionais:" #~ msgid "Ignore Atom" #~ msgstr "Ignorar átomo" #~ msgid "Fix Atom" #~ msgstr "Corrigir átomo" #~ msgid "Fix Atom X" #~ msgstr "Corrigir Átomo X" #~ msgid "Torsion angle" #~ msgstr "Ângulo de torção" #~ msgid "Add" #~ msgstr "Adicionar" #~ msgid "Save" #~ msgstr "Salvar" #~ msgid "Load" #~ msgstr "Carregar" #~ msgid "File Import..." #~ msgstr "Importar Ficheiro..." #~ msgid "Algorithm" #~ msgstr "Algoritmo" #~ msgid "Aspartic acid" #~ msgstr "Ácido aspártico" #~ msgid "Cysteine" #~ msgstr "Cisteína" #~ msgid "Cys" #~ msgstr "Cis" #~ msgid "Glutamic acid" #~ msgstr "Ácido Glutâmico" #~ msgid "Glutamine" #~ msgstr "Glutamina" #~ msgid "Glycine" #~ msgstr "Glicina" #~ msgid "Histidine" #~ msgstr "Histidina" #~ msgid "Isoleucine" #~ msgstr "Isoleucina" #~ msgid "Tryptophan" #~ msgstr "Triptofano" #~ msgid "Serine" #~ msgstr "Serina" #~ msgid "Proline" #~ msgstr "Prolina" #~ msgid "Phenylalanine" #~ msgstr "Fenilalanina" #~ msgid "Methionine" #~ msgstr "Metionina" #~ msgid "Lysine" #~ msgstr "Lisina" #~ msgid "Leucine" #~ msgstr "Leucina" #~ msgid "Sequence (N to C):" #~ msgstr "Sequência (N até C):" #~ msgid "Stereochemistry:" #~ msgstr "Estereoquímica:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Chain Number:" #~ msgstr "Número da Cadeia:" #~ msgid "The chain number for the new peptide" #~ msgstr "O número da cadeia para o novo peptídeo" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energia (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Momento Dipolar (D):" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "Advanced" #~ msgstr "Avançadas" #~ msgid "Control" #~ msgstr "Controlo" #~ msgid "Set the background color to be transparent" #~ msgstr "Seleccionar a cor do fundo para transparente" #~ msgid "HF" #~ msgstr "HF" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "&Advanced Setup" #~ msgstr "Configurações &Avançadas" #~ msgid "Hessian" #~ msgstr "Hessian" #~ msgid "Stat Point" #~ msgstr "Ponto Inicial" #~ msgid "System" #~ msgstr "Sistema" #~ msgid "MO Guess" #~ msgstr "Estimar OM" #~ msgid "Misc" #~ msgstr "Diversos" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Funções de Polarisação de Átomos Pesados:" #~ msgid "Read" #~ msgstr "Ler" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Difusão Orbital-S em Átomos Pesados" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Difusão Orbital-L em Átomos Pesados" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Valência Zeta Dupla" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Valência Zeta Tripla" #~ msgid "SBKJA Valence" #~ msgstr "Valência SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "Valência Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Tipo ECP:" #~ msgid "Default" #~ msgstr "Padrão" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Funções de Polarização de Átomos Pesados:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#leve Funções de Polarização de Átomos:" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Gradient" #~ msgstr "Gradiente" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Spin Orbit" #~ msgstr "Orbital de Spin" #~ msgid "Finite Electric Field" #~ msgstr "Campo Eléctrico Finito" #~ msgid "Global Optimization" #~ msgstr "Optimização Global" #~ msgid "Raman Intensities" #~ msgstr "Intensidades Raman" #~ msgid "Make EFP" #~ msgstr "Construir EFP" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Nenhum (CI)" #~ msgid "Foster-Boys" #~ msgstr "Adotados" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Tipo SCF:" #~ msgid "Localization Method:" #~ msgstr "Método de Localização:" #~ msgid "Normal Run" #~ msgstr "Execução Normal" #~ msgid "Run Type:" #~ msgstr "Tipo de Execução:" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Coordinate Type:" #~ msgstr "Tipo de Coordenadas:" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Usar Simetria Durante o Cálculo" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Rodar Orbitais Alfa e Beta" #~ msgid "Solvate with Water" #~ msgstr "Solvatar com Água" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distribuição sobre Todos os Nós" #~ msgid "Use Localized Orbitals" #~ msgstr "Usar Orbitais Localizadas" #~ msgid "Transformation Method" #~ msgstr "Método de Transformação" #~ msgid "Segmented Transformation" #~ msgstr "Transformação por Segmentos" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Mostrar Orbitais em cada iteracção" #~ msgid "Initial:" #~ msgstr "Início:" #~ msgid "Rational Function Optimization" #~ msgstr "Optimização da Função Racional" #~ msgid "Quadratic Approximation" #~ msgstr "Aproximação Quadrática" #~ msgid "Quartet" #~ msgstr "Quarteto" #~ msgid "Quintet" #~ msgstr "Quinteto" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Sem restrições" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "não" #~ msgid "yes" #~ msgstr "sim" #~ msgid "D2" #~ msgstr "D2" #~ msgid "D3" #~ msgstr "D3" #~ msgid "Dispersion:" #~ msgstr "Dispersão:" #~ msgid "Display Type:" #~ msgstr "Modo de Exibição:" #~ msgid "&Schemes:" #~ msgstr "&Esquemas:" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Tamanho da F&onte auto-ajustável" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Vibrações Moleculares" #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "" #~ "frequências de vibração elevadas irão mostrar movimentos mais rápidos" #~ msgid "Display force &vectors" #~ msgstr "Mostrar &vectores-força" #~ msgid "Surface Type:" #~ msgstr "Tipo de Superfície:" #~ msgid "New Display" #~ msgstr "Nova Apresentação" #~ msgid "angstrom" #~ msgstr "angstrom" #~ msgid "bohr radii" #~ msgstr "raio de bohr" #~ msgid "nanometers" #~ msgstr "nanómetros" #~ msgid "Find &double bonds" #~ msgstr "Procurar ligações &duplas" #~ msgid "Molecular Symmetry" #~ msgstr "Simetria Molecular" #~ msgid "Display visual cues" #~ msgstr "Mostrar pistas visuais" #~ msgid "Python Settings" #~ msgstr "Configuração do Python" #~ msgid "Z Matrix Editor" #~ msgstr "Editor da Matriz Z" avogadrolibs-1.100.0/i18n/pt_BR.po000066400000000000000000012044041474375334400164750ustar00rootroot00000000000000# Brazilian Portuguese translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Gustavo Sousa Jr , 2020, 2021, 2022. # Pietro Valente Benevenga , 2020. # Alexandre R Soares , 2021, 2024. # "Kirito ._." , 2024. # Iago Emanuel , 2024. # Eisuke Kawashima , 2024, 2025. # Khemis , 2024. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-13 03:01+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Portuguese (Brazil) \n" "Language: pt_BR\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n > 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:00+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Trabalho em Lote #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Nenhuma mensagem especificada." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "roteiro --imprimir-opções a saída deve ser um objeto JSON de nível superior. " "Recebido:\n" "%1" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "Aviso de não string retornado." #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "Membro 'warnings' não é um array." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "O arquivo de referência '%1' não existe." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "Erro ao preencher arquivo %1: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Arquivo '%1' mal formado. A string 'contents' ou membros 'filePath' estão " "faltando." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Entrada de arquivo malformada: nome do arquivo ou conteúdo ausente ou sem " "strings:\n" "%1" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Entrada de arquivo malformada no índice %1: Não é um objeto." #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "O membro 'files' não é array." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "membro de 'arquivos' ausente." #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" "O membro 'mainFile' não se refere a uma entrada em 'arquivos' ('files')." #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "O membro 'mainFile' deve ser uma string." #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "A resposta deve ser um objeto JSON de nível superior." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Script de saída:\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Erro de análise no deslocamento %L1: '%2'\n" "JSON bruto (raw):\n" "\n" "%3" #: molequeue/inputgenerator.cpp:346 #, fuzzy, qt-format #| msgid "" #| "Error writing molecule representation to string: Unrecognized file " #| "format: %1" msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Erro ao gravar a representação da molécula como string: Formato de arquivo " "não reconhecido: %1" #: molequeue/inputgenerator.cpp:354 #, fuzzy, qt-format #| msgid "Error writing molecule representation to string: %1" msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Erro ao gravar a representação da molécula na string: %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Erro ao gerar objeto cjson: Erro de análise no deslocamento %1: %2\n" "JSON bruto (raw):\n" "\n" "%3" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Objeto cjson gerador de erros: JSON analisado não é um objeto:\n" "%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "Gerador de Input (erro)" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "Gerador de input para o %1" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Continuar" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Fe&char" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Desconhecido" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "O seguinte arquivo foi modificado:\n" "\n" "%1\n" "\n" "Você gostaria de substituir suas alterações para refletir a nova geometria " "ou opções de trabalho?" msgstr[1] "" "Os seguintes arquivos foram modificados:\n" "\n" "%1\n" "\n" "Você gostaria de substituir suas alterações para refletir a nova geometria " "ou opções de trabalho?" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Substituir arquivos de entrada modificados?" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "Problemas ocorridos ao gerar a entrada:" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "Nenhum arquivo de entrada para salvar!" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "Não é possível conectar ao MoleQueue" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Não é possível conectar ao servidor MoleQueue. Certifique-se de que está " "funcionando e tente novamente." #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "Submeter %1 Cálculo" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "Trabalho Falhou" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "O trabalho não foi concluído com sucesso." #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "Script devolve avisos:\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "Ocultar &Avisos" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "Exibir &Avisos" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "Ocorreu um erro:" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "Selecione o nome do arquivo de saída" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" "Erro interno: não foi possível encontrar widget de texto para o nome de " "arquivo '%1'" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Erro de Saída" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Falha ao salvar o arquivo %1." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Escolha diretório de saída" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Diretório inexistente!" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Diretório ilegível!" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: O arquivo será sobrescrito." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: O arquivo não pode ser escrito." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" "Os arquivos de entrada não podem ser gravados devido a um erro desconhecido." #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Os arquivos de entrada não podem ser gravados:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Os arquivos de entrada não podem ser gravados:\n" "\n" "%1\n" "\n" "Avisos:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Aviso:\n" "\n" "%1\n" "\n" "Deseja continuar?" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Gravar arquivos de entrada" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "Configurar Trabalho" #: molequeue/molequeuedialog.cpp:57 #, fuzzy #| msgid "Submitting job to MoleQueue..." msgid "Submitting job to MoleQueue…" msgstr "Enviar trabalho para MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Tempo Limite de Envio de Trabalho" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro esgotou o tempo aguardando uma resposta de MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, fuzzy, qt-format #| msgid "Waiting for job %1 '%2' to finish..." msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Esperando o trabalho %1 '%2' para terminar…" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "Parar de esperar" #: molequeue/molequeuedialog.cpp:105 #, fuzzy #| msgid "Fetching completed job information..." msgid "Fetching completed job information…" msgstr "Buscando informações do trabalho concluído…" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "Tempo Limite de Recuperação de Trabalho" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro esgotou o tempo aguardando os detalhes do trabalho concluído de " "MoleQueue." #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "Erro ao Enviar Trabalho" #: molequeue/molequeuedialog.cpp:128 #, fuzzy, qt-format #| msgid "The job has been rejected by MoleQueue: %1" msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "O trabalho foi recusado por MoleQueue: %1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Nenhum programa selecionado." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "Selecione o programa de destino na lista \"Fila e Programa\"." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "O cliente falhou ao enviar o trabalho para MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Erro interno." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Incapaz de resolver a escolha do programa. Isto é um bug." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Nenhuma molécula definida em BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Nenhum Io::FileFormat definido em BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Nenhum nome de arquivo definido em BackgroundFileFormat!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "Dividir na Horizontal" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "Dividir na Vertical" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Hidrogênio" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Hélio" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Lítio" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Berílio" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Boro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Carbono" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Nitrogênio" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Oxigênio" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Flúor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neônio" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Sódio" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnésio" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Alumínio" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silício" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fósforo" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Enxofre" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Cloro" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argônio" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Potássio" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Cálcio" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Escândio" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titânio" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanádio" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Crômio" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Manganês" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Ferro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Cobalto" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Níquel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Cobre" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Zinco" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Gálio" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germânio" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsênio" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selênio" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Bromo" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Criptônio" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubídio" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Estrôncio" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Ítrio" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zircônio" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Nióbio" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molibdênio" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Tecnécio" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Rutênio" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Ródio" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Paládio" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Prata" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Cádmio" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Índio" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Estanho" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimônio" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Telúrio" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Iodo" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xenônio" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Césio" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Bário" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantânio" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cério" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodímio" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodímio" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Promécio" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samário" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Európio" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolínio" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Térbio" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Disprósio" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Hólmio" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Érbio" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Túlio" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Itérbio" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutécio" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Háfnio" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantálio" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Tungstênio" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Rênio" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Ósmio" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Irídio" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platina" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Ouro" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Mercúrio" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Tálio" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Chumbo" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bismuto" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polônio" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astato" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radônio" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Frâncio" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Rádio" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Actínio" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Tório" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protactínio" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Urânio" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptúnio" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutônio" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Amerício" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Cúrio" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berquélio" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Califórnio" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einstênio" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Férmio" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelévio" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobélio" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Laurêncio" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Ruterfórdio" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dúbnio" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seabórguio" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bóhrio" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hássio" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitnério" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstádio" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Roentgênio" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Copernício" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihônio" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Fleróvio" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moscóvio" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermório" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tenesso" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganessônio" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "Procurar" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "Selecionar arquivo:" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "Selecionar executável:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" "Não foi possível encontrar um leitor de arquivo adequado para o arquivo " "selecionado." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "A extensão do arquivo está faltando, então o formato do arquivo não pôde ser " "determinado. Você quer adicioná-la?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" "Não foi possível encontrar um gravador de arquivo adequado para o formato " "selecionado." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "manipuladores" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "lidar" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "leitores" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "ler" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "escritores" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "escrevem" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "Vários %1 encontrados que podem %2 este formato. Qual deve ser usado?" #: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Todos os Arquivos" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "Todos os formatos suportados" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" "Erro ao ler a representação da molécula: Formato de arquivo não reconhecido: " "%1" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "Mensagem %1" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Erro ao gravar a representação da molécula como string: Formato de arquivo " "não reconhecido: %1" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Erro ao gravar a representação da molécula na string: %1" #: qtgui/jsonwidget.cpp:86 #, fuzzy msgid "'userOptions' missing." msgstr "'userOptions' faltando." #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "A opção '%1' não se refere a um objeto." #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type' não é uma string para a opção '%1'." #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "Não foi possível encontrar a opção '%1'." #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "Aba %1" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Título" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "Base do nome do arquivo" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "Processadores" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "Tipo de Cálculo" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "Nível de Teoria" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Base" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "Carga" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "Multiplicidade" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "Erro: o valor deve ser objeto para a chave '%1'." #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Tipo de opção não reconhecido '%1' para a opção '%2'." #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "Erro ao definir o padrão para a opção '%1'. Tipo de widget inválido." #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "Erro ao definir padrão para a opção '%1'. Valor padrão ruim:" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Erro ao definir o padrão para a opção '%1'. Não foi possível encontrar um " "índice de entrada de combinação válido a partir do valor:" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Widget não tratado em collectOptions para a opção '%1'." #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "[sem molécula]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "Camada %1" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Bola e Bastão" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Ilustração" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Fechar contatos" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Rede de Cristal" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Momento Dipolar" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Força" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "Rótulos" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 #, fuzzy #| msgid "Licorice" msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Bastão" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "Malhas" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "Não-Covalente" #: qtgui/layermodel.cpp:156 #, fuzzy #| msgid "QTAIM" msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Elementos de Simetria" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Estrutura de Arame" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "Sem título" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "Crie uma nova vista" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Tabela Periódica" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Erro ao executar o script '%1 %2': Tempo limite esgotado ao aguardar o " "início (%3)." #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Erro ao executar o script '%1 %2': falha ao gravar em stdin (len= %3, gravou " "%4 bytes, erro QProcess: %5)." #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Erro ao executar o script '%1 %2': Tempo limite esgotado ao aguardar " "conclusão (%3)." #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Erro ao executar o script '%1 %2': status de saída anormal %3 (%4: %5)\n" "\n" "Resultado:\n" "%6" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "Alerta '%1'" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "Script falhou ao iniciar." #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "O código falhou." #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "O script expirou." #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "Erro de leitura." #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "Erro de escrita." #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "Erro desconhecido." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Modificar Camadas" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Remover Camadas" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Remover Info da Camada" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Adicionar Camada" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Adicionar camada de informação" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "Trocar Camada" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Adicionar Átomo" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Remover Átomo" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "Limpar Átomos" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Ajustar Hidrogênios" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Trocar Elementos" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Trocar Elemento" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "Alterar Hibridização do Átomo" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "Mudar Carga Formal do Átomo" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "Mudar Cor do Átomo" #: qtgui/rwmolecule.cpp:272 #, fuzzy msgid "Change Atom Layer" msgstr "Mudar Cor do Átomo" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Adicionar Ligação" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "Ligação Removida" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "Apagar Ligações" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "Definir Ordens de Ligação" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Trocar Ordem da Ligação" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "Atualizar Ligações" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "Atualizar Ligação" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "Remover Célula Unitária" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "Editar Célula Unitária" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "Envolver Átomos na Célula" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "Redimensionar Volume da Célula" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "Construir Supercélula" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "Redução Niggli" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "Girar para Orientação Padrão" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 #, fuzzy msgid "Reduce to Primitive" msgstr "Reduzir para Célula Primitiva" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "Convencionalizar Célula" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "Simetrizar Célula" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Completar Célula Unitária" #: qtgui/rwmolecule.cpp:702 #, fuzzy msgid "Reduce Cell to Asymmetric Unit" msgstr "Reduzir para Unidade Assimétrica" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "Mudar Posições dos Átomos" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "Mudar Posição do Átomo" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "Mudar Rótulo do Átomo" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "Mudar Seleção" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Modificar Molécula" #: qtgui/scenepluginmodel.cpp:92 #, fuzzy #| msgid "&Settings" msgid "Settings" msgstr "Definições" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 #, fuzzy #| msgid "ThreeDMol HTML Block." msgid "3DMol HTML Block." msgstr "Bloco HTML 3DMol." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Arquivo" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "&Exportar" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Construir" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Elemento:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Alinhar" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" "Alinhar Moléculas \n" "\n" "Botão Esquerdo do Mouse: \tSelecionar até dois átomos. \n" "\tO primeiro átomo se centraliza na origem. \n" "\tO segundo átomo está alinhado com o eixo selecionado. \n" "Botão Direito do Mouse: \tMudar o alinhamento. \n" "Duplo clique: \tCentralizar o átomo na origem." #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Eixo:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Alinhar na Origem" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "Alinhar ao Eixo" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "Centralizar o átomo na origem." #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "Girar a molécula para alinhar o átomo com o eixo especificado." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Alinha moléculas a um eixo cartesiano" #: qtplugins/apbs/apbs.cpp:32 #, fuzzy #| msgid "Run APBS" msgid "Run APBS…" msgstr "Executar APBS…" #: qtplugins/apbs/apbs.cpp:37 #, fuzzy #| msgid "Open Output File" msgid "Open Output File…" msgstr "Abrir Arquivo de Saída…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "&Entrada" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "Abrir Arquivo de Saída" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "Arquivo OpenDX (*.dx)" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "Erro de Entrada/Saída" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "Problema ao ler a estrutura do arquivo (%1)." #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "Erro OpenDX" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Erro ao ler arquivo OpenDX: %1" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "Erro ao ler arquivo OpenDX: Nenhum cubo encontrado" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Interagir com utilitários APBS." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Abrir Arquivo PDB" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "Arquivos PDB (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Abrir Arquivo PQR" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "Arquivos PQR (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Erro" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Erro ao executar APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Especifique o arquivo PDB" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Salvar Arquivo de Entrada APBS" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "Entrada APBS (*.in)" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "Sucesso" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Arquivo de entrada gravado em %1" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy #| msgid "By Custom Color..." msgid "By Custom Color…" msgstr "Por Cor Personalizada…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "Por Índice Atômico…" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "Por Distância…" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "Por Elemento" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "Pela Cadeia" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "Pela Carga Parcial…" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "Por Estrutura Secundária" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "Por Aminoácidos:" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "Heat" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "Hot" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "Cinza" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 #, fuzzy #| msgid "Spectra" msgctxt "colormap" msgid "Spectral" msgstr "Espectro" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "Coolwarm" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "Equilibrar" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Azul-VermelhoEscuro" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "Aplicar o esquema de cores aos átomos e resíduos." #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Exibir" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 #, fuzzy msgid "Color Residues" msgstr "Colorir resíduo" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 #, fuzzy msgid "ApplyColors" msgstr "Aplicar Cor" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "Opacidade" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Exibir ligações múltiplas" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 #, fuzzy msgid "Show hydrogens" msgstr "Mostrar hidrogênios" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Desenha átomos como esferas e ligações como cilindros." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Manipulação Ligação-Centrada" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "%L1°" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "%L1 Å" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Ferramenta de manipulação ligação centrada." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Ferramenta usada para editar a geometria molecular, alterando comprimentos e " "ângulos das ligações." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Ligar Átomos" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Remover Ligações" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Configurar Ligações…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "Ligar" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Realize operações de ligação." #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Espinha" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Fita" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Ilustração" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Ilustração" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 #, fuzzy #| msgid "Minimum Distance:" msgid "Maximum distance:" msgstr "Distância Máxima:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 #, fuzzy msgid "Line width:" msgstr "Largura do pico:" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 #, fuzzy #| msgid "Edit Color Opacity Map..." msgid "Edit Color Opacity Map…" msgstr "Editar Mapa de Opacidade de Cor …" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Extensões" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" "Editar mapas de opacidade de cores, principalmente para renderização de " "volume." #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "Scripts" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Erro ao ler o arquivo de saída '%1':\n" "%2" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "Definir caminho para interpretador Python:" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Selecione o interpretador python para executar scripts externos.\n" "O Avogadro deve ser reiniciado para que as alterações tenham efeito." #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "Scripts de comandos" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "Executar comandos de script externos" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 #, fuzzy #| msgid "Other" msgid "Other…" msgstr "Outro…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy #| msgid "Atomic &Coordinate Editor..." msgid "Atomic &Coordinate Editor…" msgstr "Editor de &Coordenadas Atômicas…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Editor de coordenadas" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Edição de texto de coordenadas atômicas." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Sobrescrever alterações?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "O documento de texto foi modificado. Gostaria de descartar suas alterações e " "reverter para a molécula atual?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Nome de elemento inválido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Nome do Elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Símbolo de elemento Inválido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Símbolo do Elemento." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Índices dos Átomos." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Número atômico inválido." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Número Atômico." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Coordenadas inválidas." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "Coordenada X." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Coordenada Y." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Coordenada Z." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "coordenada de rede 'a'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "coordenada de rede 'b'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "coordenada de rede 'c'." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Erro ao aplicar geometria" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Não foi possível analisar a especificação da geometria. Corrija os erros " "destacados e tente novamente.\n" "\n" "(Dica: mantenha o mouse sobre o texto em vermelho para obter uma descrição " "do erro.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Editar Coordenadas Atômicas" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Personalizar" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "Formato XYZ (símbolos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "Formato XYZ (nomes)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "Formato XYZ (números atômicos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Coordenadas de rede (símbolos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Coordenadas de rede (nomes)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Coordenadas de rede (números atômicos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "Formato GAMESS (símbolos)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "Formato GAMESS (nomes)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Formato Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "Copiar" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "InChI" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "Recortar" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "Limpar" #: qtplugins/copypaste/copypaste.cpp:35 #, fuzzy #| msgid "Paste" msgid "&Paste" msgstr "Colar" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "&Editar" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "Erro na Área de Transferência para a Molécula" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "Erro ao gerar dados da área de transferência." #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Formato de saída: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Erro do leitor:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "Erro ao Colar Molécula" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Não é possível colar a molécula: área de transferência vazia!" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "Erro ao ler dados da área de transferência." #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Formato Detectado: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Copiar e colar" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Interagir com área de transferência." #: qtplugins/cp2kinput/cp2kinput.cpp:33 #, fuzzy msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "Entrada CP2K" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "Gerar Entrada para CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "Energia e Forças" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "Dinâmica Molecular" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "Otimização Geométrica" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "Métodos de estrutura eletrônica (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "Mecânica Molecular" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Híbrido quântico clássico (ainda não suportado)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "ATÔMICO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "DENSIDADES" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "M&OPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "ALEATÓRIO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "REINICIAR" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 #, fuzzy msgid "Conjugate Gradients" msgstr "Conjugar Gradientes" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "O arquivo de entrada foi modificado. Você gostaria de substituir suas " "alterações para refletir a nova geometria ou opções de trabalho?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "Substituir o arquivo de entrada modificado?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "Salvar arquivo de entrada CP2K" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "Enviar cálculo CP2K" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy #| msgid "Import Crystal from Clipboard" msgid "Import Crystal from Clipboard…" msgstr "Importar Cristal da Área de Transferência…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy #| msgid "Edit Unit Cell" msgid "Edit Unit Cell…" msgstr "Editar Célula Unitária…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Envolver Átomos na Célula Unitária" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Girar para &Orientação Padrão" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy #| msgid "Scale Cell &Volume" msgid "Scale Cell &Volume…" msgstr "Redimensionar &Volume da Célula…" #: qtplugins/crystal/crystal.cpp:74 #, fuzzy #| msgid "Build &Supercell" msgid "Build &Supercell…" msgstr "Construir &Supercélula…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Reduzir Célula (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "&Cristal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Remover Célula &Unitária" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Adicionar Célula &Unitária" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "I&mportar Cristal da Área de Transferência" #: qtplugins/crystal/crystal.cpp:175 #, fuzzy #| msgid "&Wrap Atoms to Unit Cell" msgid "Wrap atoms into the unit cell." msgstr "Envolver Átomos na Célula Unitária." #: qtplugins/crystal/crystal.cpp:177 #, fuzzy #| msgid "Rotate to Standard Orientation" msgid "Rotate the unit cell to the standard orientation." msgstr "Girar para Orientação Padrão" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "Reduzir Cristal Niggli" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "Essa célula unitária já está reduzida." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Cristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Ferramentas para edição/análise específica de cristal." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Desenha os limites da célula unitária." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Não é possível analisar o texto" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Falha ao ler os dados com o formato fornecido." #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "Nenhuma célula unitária presente." #: qtplugins/customelements/customelements.cpp:19 #, fuzzy #| msgid "Reassign &Custom Elements..." msgid "Reassign &Custom Elements…" msgstr "Reatribuir Elementos &Personalizados…" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "Manipular tipos de elementos personalizados na molécula atual." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Elementos Definidos pelo Usuário" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Desenho" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" "Ferramenta Desenhar (%1)\n" "\n" "Botão esquerdo do mouse: Clique e arraste para criar átomos e ligações\n" "Botão direito do mouse: Exclua átomo" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Desenhar Átomo" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "Trocar Tipo de Ligação" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "Remover Ligação" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Distância:" #: qtplugins/editor/editor.cpp:268 #, fuzzy, qt-format msgid "%1 %L2" msgstr "%1 %L2" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Ferramenta de Edição" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "Automático" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Simples" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Dupla" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Tripla" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "&Importar" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy #| msgid "Fetch from PDB" msgid "Fetch PDB" msgstr "Buscar no PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Estrutura química para baixar." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "Esperando %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Download Falhou" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Tempo expirou ou outro erro." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "A molécula especificada não pode ser encontrada: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Buscar no PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Renderizar visualizações do campo de força para os átomos da molécula." #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "Otimizar Geometria" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy #| msgid "Configure Bonding…" msgid "Configure…" msgstr "Configurar…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy #| msgid "Import Selected Atoms" msgid "Freeze Selected Atoms" msgstr "Fixar Átomos Selecionados" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "&Calcular" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Energia = %L1 %2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield optimization" msgstr "Otimização do Campo de Força" #: qtplugins/forcefield/forcefield.h:50 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" msgstr "Otimização do Campo de Força" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Autodetectar (%1)" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "GAMESS" msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "Entrada GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Gerar entrada para GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "Ponto Único" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Geometria de Equilíbio" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Estado de Transição" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Freqüências" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Potencial Central" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gás" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Água" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Singlete" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Dublete" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Triplete" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Dicátion" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Cátion" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neutro" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Ânion" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Diânion" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "Salvar arquivo de entrada GAMESS" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "Enviar cálculo GAMESS" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Ajustar Hidrogênios" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Adicionar Hidrogênios" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Remover Hidrogênios Extras" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Remover Hidrogênios" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "Adicionar/remover hidrogênios da molécula atual." #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "&Hidrogênios" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrogênios" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Importar de PQR" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Baixar uma molécula de PQR." #: qtplugins/insertdna/insertdna.cpp:43 #, fuzzy #| msgid "DNA/RNA..." msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Inserir" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy #| msgid "Insert DNA/RNA" msgid "Insert DNA/RNA…" msgstr "Inserir DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "Uracila" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "Timina" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 #, fuzzy #| msgid "Insert Molecule..." msgid "Insert Molecule…" msgstr "Inserir Molécula…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 #, fuzzy #| msgid "Generating 3D molecule..." msgid "Generating 3D molecule…" msgstr "A criar molécula 3D…" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy #| msgid "Insert DNA" msgid "InsertDNA" msgstr "Inserir DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "Molécula…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy #| msgid "Crystal" msgid "Crystal…" msgstr "Cristal…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "Importar Cristal" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Inserir Fragmento" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "InsertFragment" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Insere fragmentos moleculares para construir moléculas maiores." #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 #, fuzzy msgid "Color:" msgstr "Cores:" #: qtplugins/label/label.cpp:170 #, fuzzy msgid "Distance from center:" msgstr "Distância do centro:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Nenhum" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Elemento" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 #, fuzzy msgid "Residue Label:" msgstr "Etiqueta do resíduo:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 #, fuzzy msgid "Label editor tool" msgstr "Ferramenta de Edição" #: qtplugins/lammpsinput/lammpsinput.cpp:30 #, fuzzy msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "Entrada LAMMPS" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Gerar entrada LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Deseja atualizar o texto e perder todas as alterações feitas no painel de " "visualização do deck de entrada do Lammps?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Opacidade:" #: qtplugins/licorice/licorice.h:36 #, fuzzy msgid "Render atoms as licorice / sticks." msgstr "Renderizar átomos como palito/bastão." #: qtplugins/lineformatinput/lineformatinput.cpp:31 #, fuzzy #| msgid "SMILES" msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 #, fuzzy #| msgid "InChI" msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "Nenhum descritor encontrado!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "Nenhum leitor de formato de linha encontrado!" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "Não foi possível carregar o leitor de formato solicitado." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" "Carregar descritores de molécula em linha única por meio de uma caixa de " "diálogo de entrada." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipulação" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Ferramenta de manipulação" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Medir" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Diédrico:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Ângulo:" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "Ângulos:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 #, fuzzy msgid "Measure tool" msgstr "Ferramenta de Medida" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(pendente)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy #| msgid "Molecular Graph..." msgid "&Molecular…" msgstr "&Molecular…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "Visualizar propriedades gerais de uma molécula." #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 #, fuzzy msgid "&Analysis" msgstr "&Analítica" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Propriedades" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Propriedades Moleculares" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Propriedades da Molécula" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 #, fuzzy #| msgid "&Export" msgid "Export CSV" msgstr "Exportar CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 #, fuzzy #| msgid "WFN files (*.wfn);;All files (*.*)" msgid "CSV Files (*.csv);;All Files (*)" msgstr "Arquivos CSV (*.csv);;Todos os arquivos (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 #, fuzzy #| msgid "Could not open file '%1' for writing." msgid "Could not open the file for writing." msgstr "Não foi possível abrir o arquivo '%1' para escrita." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy #| msgid "&Export" msgid "Export…" msgstr "Exportar…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navegação" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" "Ferramenta de Navegação (%1)\n" "\n" "Mouse Esquerdo: Clique e arraste para girar a visualização.\n" "Mouse do Meio: Clique e arraste para ampliar ou reduzir.\n" "Mouse Direito: Clique e arraste para mover a visualização.\n" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "Girar a cena ao longo dos eixos x, y ou z." #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "Transladar a cena." #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Ferramenta de navegação" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Nome Químico" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Interagir com bancos de dados online, estruturas de consulta, etc." #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "Ângulo de tolerância:" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Renderizar algumas interações não covalentes." #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "Halogênio" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "Calcogênio" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "Configurar Campo de Força…" #: qtplugins/openbabel/openbabel.cpp:59 #, fuzzy #| msgid "Conformer Search" msgid "Conformer Search…" msgstr "Busca Conformacional…" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "Perceber Ligações" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Adicionar hidrogênios para pH…" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "Remover Hidrogênios" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1 não encontrado! Desativando ações do plugin Open Babel." #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" "Os formatos de arquivo do Open Babel não estão prontos para serem " "adicionados." #: qtplugins/openbabel/openbabel.cpp:203 #, fuzzy #| msgid "Loading molecule from CML..." msgid "Loading molecule from Open Babel…" msgstr "Carregando molécula de Open Babel…" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Ocorreu um erro interno: OpenBabel::readMolecule chamado, mas nenhuma saída " "obabel está disponível para analisar!" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "Um erro ocorreu durante a execução do Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "Erro ao analisar a saída do openbabel." #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Ocorreu um erro ao recuperar a lista de campos de força suportados. (usando " "'%1')." #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molécula inválida. Não é possível otimizar a geometria." #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "Não é possível otimizar a geometria com Open Babel." #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "Otimizando Geometria (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 #, fuzzy #| msgid "Generating MDL..." msgid "Generating…" msgstr "Criando…" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 #, fuzzy #| msgid "" #| "An internal error occurred while generating an CML representation of the " #| "current molecule." msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Ocorreu um erro interno ao gerar uma representação Open Babel da molécula " "atual." #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, fuzzy, qt-format #| msgctxt "arg is an executable file." #| msgid "Starting %1..." msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Iniciando %1…" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Etapa %1 de %2\n" "Energia atual: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 #, fuzzy #| msgid "Updating molecule..." msgid "Updating molecule…" msgstr "Atualizando molécula…" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "Erro ao interpretar a saída do Open Babel." #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "O número de átomos na saída do obabel (%1) não coincide com o número de " "átomos na molécula (%2)." #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "Não é possível abrir o arquivo com o Open Babel." #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Molécula inválida: não se consegue detectar ligações." #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 #, fuzzy #| msgid "Generating XYZ representation..." msgid "Generating XYZ representation…" msgstr "Criando representação XYZ…" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "Erro ao criar string XYZ." #: qtplugins/openbabel/openbabel.cpp:760 #, fuzzy, qt-format #| msgid "Converting XYZ to CML with %1..." msgid "Converting XYZ to Open Babel with %1…" msgstr "Convertendo XYZ em Open Babel com %1…" #: qtplugins/openbabel/openbabel.cpp:770 #, fuzzy #| msgid "Updating molecule from CML..." msgid "Updating molecule from Open Babel…" msgstr "Atualizando molécula de Open Babel…" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "Não é possível adicionar hidrogênios com o Open Babel." #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "Adicionando Hidrogênios (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 #, fuzzy #| msgid "Generating Open Babel input..." msgid "Generating Open Babel input…" msgstr "Criando entrada Open Babel…" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "Erro ao criar entrada Open Babel." #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, fuzzy, qt-format #| msgid "Running %1..." msgid "Running %1…" msgstr "Executando %1…" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "Adicionar hidrogênios para pH" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 #, fuzzy #| msgid "Generating obabel input..." msgid "Generating obabel input…" msgstr "Criando entrada obabel…" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "Não é possível remover hidrogênios com Open Babel." #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "Removendo Hidrogênios (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 #, fuzzy #| msgid "Error generating Open Babel input." msgid "Error generating Open Babel data." msgstr "Erro ao criar dados Open Babel." #: qtplugins/openbabel/openbabel.cpp:951 #, fuzzy #| msgid "Reading obabel output..." msgid "Reading obabel output…" msgstr "Lendo saída obabel…" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "O Open Babel já está em execução. Aguarde a conclusão da outra operação e " "tente novamente." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Interagir com utilitários OpenBabel." #: qtplugins/openmminput/openmminput.cpp:30 #, fuzzy msgid "&OpenMM Script…" msgstr "Script &OpenMM…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "Entrada OpenMM" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Gerar entrada para OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Deseja atualizar o texto e perder todas as alterações feitas no painel de " "visualização do deck de entrada OpenMM?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "Sobreposição de Eixos de Referência" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "Renderize os eixos de referência no canto da tela." #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Parar" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "Taxa de quadros:" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr " QPS" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "Quadro:" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " de %0" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "Ligações dinâmicas?" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 #, fuzzy #| msgid "Record Movie..." msgid "Record Movie…" msgstr "Gravar Vídeo…" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "Vídeo (*.mp4)" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "Exportar Gráficos BMP" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Filme (*.mp4);;Filme (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "Aviso GIF FPS suportado" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" "O formato de arquivo GIF não oferece suporte a taxas de quadros acima de 100 " "FPS (qps)." #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "Vídeo (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "Erro: não é possível adicionar quadro ao vídeo." #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "Não foi possível salvar o arquivo %1." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Ferramenta Player" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Reproduzir trajetórias" #: qtplugins/plotpdf/plotpdf.cpp:37 #, fuzzy #| msgid "Plot Pair Distribution Function..." msgid "Plot Pair Distribution Function…" msgstr "Traçar Função de Distribuição de Pares…" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "Falha ao criar padrão PDF" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "Mensagem de erro: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "TracePdf" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Criar e desenhar uma curva Função de Distribuição de Pares (PDF)." #: qtplugins/plotrmsd/plotrmsd.cpp:30 #, fuzzy #| msgid "Plot RMSD curve..." msgid "Plot RMSD curve…" msgstr "Traçar curva RMSD…" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "TraceRmsd" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "Criar e desenhar uma curva RMSD." #: qtplugins/plotxrd/plotxrd.cpp:35 #, fuzzy #| msgid "Plot Theoretical XRD Pattern..." msgid "Plot Theoretical XRD Pattern…" msgstr "Traçar Padrão DRX Teórico…" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "Falha ao criar padrão DRX" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "Falha ao converter a molécula para o formato CIF." #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Os dados lidos do genXrdPattern parecem estar corrompidos!" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "Erro: não foi possível encontrar o executável genXrdPattern!" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "Erro: " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "TraceDrx" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Criar e desenhar um padrão de DRX teórico usando ObjCryst ++." #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "Salvar Arquivo" #: qtplugins/ply/ply.cpp:71 #, fuzzy #| msgid "VRML (*.wrl);;Text file (*.txt)" msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Texto (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 #, fuzzy #| msgid "Render the scene using VRML." msgid "Render the scene using PLY." msgstr "Renderizar a cena usando PLY." #: qtplugins/povray/povray.cpp:29 #, fuzzy msgid "POV-Ray Render…" msgstr "POV-Ray Render…" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Texto (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Renderizar a cena usando o POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Valência" #: qtplugins/propertytables/propertymodel.cpp:503 #, fuzzy msgid "Formal Charge" msgstr "Carga formal" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "Carga Parcial %1" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "Cores" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Átomo" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Tipo" #: qtplugins/propertytables/propertymodel.cpp:531 #, fuzzy msgid "Start Atom" msgstr "Iniciar Animação" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Ligar Átomos" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Ordem da Ligação" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Comprimento (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 #, fuzzy msgid "Chain" msgstr "Cadeias" #: qtplugins/propertytables/propertymodel.cpp:556 #, fuzzy msgid "Secondary Structure" msgstr "Estrutura Secundária" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "Heterogênea" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Átomo 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Vértice" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Átomo 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Ângulo (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Átomo 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Átomo 4" #: qtplugins/propertytables/propertymodel.cpp:608 #, fuzzy msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "Energia (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "Ajustar Fragmento" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "π-Hélice" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "α-Hélice" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "Folha-beta" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "Propriedades do Átomo…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "Propriedades da Ligação…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Propriedades do Ângulo…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy #| msgid "Torsion Properties" msgid "Torsion Properties…" msgstr "Propriedades de Torsão…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "Janelas para exibir propriedades de átomo. ligação, ângulo e torsão." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Propriedades" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Propriedades do Átomo" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Propriedades da Ligação" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Propriedades do Ângulo" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Propriedades de Torsão" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Propriedades do Confórmero" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Renderiza primitivas usando propriedades QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 #, fuzzy #| msgid "Molecular Graph..." msgid "Molecular Graph…" msgstr "Gráfico Molecular…" #: qtplugins/qtaim/qtaimextension.cpp:48 #, fuzzy #| msgid "Molecular Graph with Lone Pairs..." msgid "Molecular Graph with Lone Pairs…" msgstr "Gráfico Molecular com Pares Isolados…" #: qtplugins/qtaim/qtaimextension.cpp:55 #, fuzzy #| msgid "Atomic Charge..." msgid "Atomic Charge…" msgstr "Carga Atômica…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Abrir Arquivo WFN" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Arquivos WFN (*.wfn);;Todos os arquivos (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Extensão QTAIM" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "Entrada Quantum" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "Gerar entrada para pacotes de química quântica." #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "Centralizar" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "Alinhar Visão aos Eixos" #: qtplugins/resetview/resetview.cpp:52 #, fuzzy #| msgid "Align View to Axes" msgid "Align view to axes." msgstr "Alinhar Visão aos Eixos" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Manipular câmera de visualização." #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "Formatos de Arquivo de Script" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "Carregar leitores/gravadores de arquivos de scripts externos." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Selecionar Tudo" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Limpar Seleção" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Inverter Seleção" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 #, fuzzy msgid "Select by Atom Index…" msgstr "Selecione o Índices Átomos…" #: qtplugins/select/select.cpp:63 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Residue…" msgstr "Selecionar por Resíduo…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Mudar seleções" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Selecionar" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" msgstr "Selecionar Resíduo…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "Selecionar" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Seleção" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Ferramenta de Seleção" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 #, fuzzy msgid "Perceive Space Group…" msgstr "Perceber Grupo Espacial…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "Simetrizar" #: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Completar Célula Unitária…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "Reduzir para Unidade Assimétrica" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "Space Group" msgstr "Grupo de Espaço" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "Falha" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Percepção do Grupo de Espaço falhou.\n" "Gostaria de tentar novamente com uma tolerância diferente?" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "Redução Primitiva" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "A tolerância está definida como: %1.\n" "Continuar com esta tolerância?" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "A etapa de Redução de Primitivas falhou.\n" "Por favor, verifique seu cristal e tente novamente com uma tolerância " "diferente." #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "A etapa de Convencionalização da Célula falhou.\n" "Por favor, verifique seu cristal e tente novamente com uma tolerância " "diferente." #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "A etapa de Simetrização falhou.\n" "Por favor, verifique seu cristal e tente novamente com uma tolerância " "diferente." #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "Selecione a tolerância em Å:" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "Internacional" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "Selecionar Grupo de Espaço" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "GrupoEspaço" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "Recursos do grupo espacial para cristais." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgid "Spectra" msgid "Spectra" msgstr "Espectro" #: qtplugins/spectra/spectra.h:38 #, fuzzy #| msgid "Display spectra and vibrational modes." msgid "Display spectra plots." msgstr "Mostrar espectros." #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "Infravermelho" #: qtplugins/spectra/spectradialog.cpp:440 #, fuzzy #| msgctxt "Raman spectrum" #| msgid "Raman" msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "RMN" #: qtplugins/spectra/spectradialog.cpp:446 #, fuzzy #| msgid "electron" msgid "Electronic" msgstr "elétron" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 #, fuzzy #| msgid "Wavenumber (cm-1)" msgid "Wavenumbers (cm⁻¹)" msgstr "Número de onda (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "Intensidade" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 #, fuzzy #| msgid "Shift (ppm)" msgid "Chemical Shift (ppm)" msgstr "Shift (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Energia (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "Densidade" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Simetria" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Orbital Molecular" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Densidade Eletrônica" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "OM %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "Do Arquivo" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Create Surfaces" msgid "Create Surfaces…" msgstr "Criar Superfícies…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "Calculando densidade eletrônica" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Calculando o orbital molecular %L1" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "Vídeo (*.avi)" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "Exportar Vídeo" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Vídeo MP4 (*.mp4);;Vídeo AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Superfícies" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Ler e renderizar superfícies." #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "Classe" #: qtplugins/symmetry/symmetry.cpp:41 #, fuzzy #| msgid "Symmetry" msgid "Symmetry…" msgstr "Simetria…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Fornecer funcionalidade de simetria." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Desenha elementos de simetria." #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "Grupo %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Exibição simples de esferas VdW." #: qtplugins/vibrations/vibrations.cpp:27 #, fuzzy #| msgid "Vibrational Modes" msgid "Vibrational Modes…" msgstr "Modos Vibracionais…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "Vibração" #: qtplugins/vibrations/vibrations.h:37 #, fuzzy #| msgid "Display spectra and vibrational modes." msgid "Display vibrational modes." msgstr "Mostrar modos vibracionais." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Texto (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Renderizar a cena usando VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Desenha a molécula como estrutura de arame." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, fuzzy, qt-format #| msgid "Script failed to start." msgid "Error: %1 failed to start" msgstr "%1 falhou ao iniciar" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Diálogo" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Formulário" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Configurações de Cálculo" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) #, fuzzy #| msgid "Placeholder text..." msgid "Placeholder text…" msgstr "Texto de espaço reservado…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) #, fuzzy #| msgid "Debug script..." msgid "Debug Script…" msgstr "Depurar script…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #, fuzzy #| msgid "Submit Calculation..." msgid "Submit Calculation…" msgstr "Submeter Cálculo…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save Input…" msgstr "Salvar Entrada…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Fila e Programa:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "Atualizar" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" "

      Número de núcleos do processador a reservar para este " "trabalho.

      " #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Núcleos do processador:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" "

      Excluir arquivos de trabalho remotos após concluir " "trabalho. Os resultados ainda serão copiados primeiro para o cache de " "trabalho MoleQueue local.

      " #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Apagar arquivos remotos ao terminar:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" "

      Marcar para evitar que este trabalho apareça na GUI " "MoleQueue por padrão.

      " #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Ocultar trabalho em MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" "

      Mostrar uma notificação pop-up do sistema quando o " "status do trabalho mudar.

      " #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Mostrar notificações de progresso:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Abrir resultado ao terminar:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Renomear Elementos" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "Inserir Fragmento…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filtro:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Digite um nome ou parte de um nome para mostrar apenas os arquivos " "correspondentes." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Inserir" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "Trecho de código 3DMol HTML" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Copiar para a Área de Transferência" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Estrutura do Arquivo de Entrada" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Gerar Arquivo de Entrada a partir de arquivo PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "Arquivo PDB:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Campo de Força:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Executar PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Carregar arquivo PQR existente" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "Arquivo PQR:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "Arquivo de Entrada APBS" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Salvar Arquivo de Entrada" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Executar APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Sucesso!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Carregar Arquivo de Estrutura" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Carregar arquivo Cube" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial Charge" msgid "Partial Charges" msgstr "Carga Parcial" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Tolerância de Distância:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Distância Mínima:" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "Renderizando Volume" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "Cubo" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "Ativar renderização de volume" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "Ativar renderização de superfície" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "Isovalor" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Editor de Coordenadas" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Unidade de Distância:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Angstrom" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formato:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) #, fuzzy #| msgid "" #| "

      Specification of format. Each character indicates a " #| "value to write per atom:

      # " #| "- Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" " #| "for carbon)
      N - Element name " #| "(e.g. \"Carbon\")
      S - " #| "Element symbol (e.g. \"C\" for carbon)
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate (crystals only)
      b - 'b' lattice coordinate (crystals only)
      c - 'c' lattice coordinate " #| "(crystals only)
      _ - A " #| "literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for optimization " #| "flags
      1 - A literal 1 " #| "(\"1\"), useful for optimization flags

      " msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" "

      Especificação de formato. Cada caracter indica um " "valor a escrever por átomo:

      # " "- Índice de átomo (1, 2, ..., numAtoms)
      Z - Número Atômico (e.g. \"6\" para carbono)
      G - número atômico estilo GAMESS (e.g. \"6.0\" " "para carbono)
      N - Nome do " "elemento (e.g. \"Carbono\")
      S - " "Símbolo do elemento (e.g. \"C\" para carbono)
      x - posição coordenada X
      y - posição coordenada Y
      z - posição coordenada Z
      a - coordenada de rede 'a' (em cristais)
      b - coordenada de rede 'b' (em " "cristais)
      c - coordenada de " "rede 'c' (em cristais)
      _ - Um " "espaço literal (\" \"), útil para alinhar
      0 - Um 0 literal (\"0\"), útil para otimizar marcadores
      1 - Um 1 literal (\"1\"), útil para " "otimizar marcadores

      " #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Colar" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Aplicar" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "Entrada CP2K" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Limpar Tudo" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Padrões" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy #| msgid "Save File" msgid "Save File…" msgstr "Salvar Arquivo…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "Configuração &Básica" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Título:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "trabalho" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Calcular:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Método:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Funcional" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Tipo Poisson EWALD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Poisson EWALD Alfa" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) #, fuzzy #| msgid "Poiosson EWALD GMAX" msgid "Poisson EWALD GMAX" msgstr "Poisson EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" "Extensão de arquivo para conversão Open Babel (padrão - Avogadro::POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Parâmetros de Supercélula" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opções de Supercélula" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Repetir A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Repetir B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Repetir C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "Editor de Célula Unitária" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Matriz da Célula:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Matriz Fracionária:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Aplicar" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Reverter" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Ocultar" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Escala do Volume da Célula Unitária" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "Novo &Volume:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "&Scaling Factor:" msgstr "Fator de Escala:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Volume Atual:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Ordem da Ligação:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Critérios de Convergência" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy #| msgid "\"Energy\" convergence:" msgid "Energy convergence:" msgstr "Energia de convergência:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " unidades" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " passos" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Método de Otimização" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Campo de força:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Autodetectar" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Entrada GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Em:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicidade:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Com:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Carga:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) #, fuzzy #| msgid "Import From PQR" msgid "Import From PQR…" msgstr "Importar de PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Buscar" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nome" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "sinônimo" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "fórmula" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Procurar por: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Fórmula:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Nome:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) #, fuzzy #| msgid "Insert DNA" msgid "Insert Nucleic Acids" msgstr "Inserir ácidos núcleos" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy #| msgid "G" msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy #| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Sequencia:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other" msgid "Other" msgstr "Outro" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Simples" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Dupla" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "Entrada LAMMPS" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Comentários do arquivo de entrada" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Selecione o estilo de unidade a ser usado durante a simulação." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Unidades" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elétron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Potencial da Água" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Selecione atom_style usado pelo arquivo de dados." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Estilo do Átomo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "ângulo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atômico" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "ligação" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "carga" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipolo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "elipsoide" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "completo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "linha" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molecular" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "esfera" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "pacote de ondas" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Indique o nome a ser usado para o arquivo de coordenadas." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Arquivo de Dados de Coordenadas" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Conjunto" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperatura" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Selecione o número de cadeias Nosé-Hoover no conjunto NVT." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "Cadeias NH" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Intervalo de tempo para a simulação em unidades de acordo com a " "especificação \"Unidades\"." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Nome do arquivo XYZ a ser escrito durante a simulação." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Despejar XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Número de dimensões do sistema." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensões" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Alterar o estilo do limite Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Alterar o estilo do limite Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) #, fuzzy #| msgid "Select bondary Styles in X, Y and Z directions." msgid "Select boundary Styles in X, Y and Z directions." msgstr "Selecionar estilos de borda nas direções X, Y e Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Borda" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Número de replicantes nas direções X, Y e Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Replicar" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Replicar direção X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Replicar direção Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Replicar direção Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Número total de etapas de tempo para executar a simulação." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Total de Etapas" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Defina as velocidades iniciais do átomo para a simulação." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Velocidades Iniciais" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Selecionar distribuição das velocidades iniciais do átomo." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussiana" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "uniforme" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" "Definir velocidades iniciais do átomo para corresponder a esta temperatura." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Remover momento linear do sistema das velocidades iniciais." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Momento Linear Zero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Remover momento angular do sistema das velocidades iniciais." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Momento Angular Zero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Controlar saída termodinâmica durante a simulação." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Saída" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Intervalo de Saída" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Estilo de Saída Termodinâmica." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Multi Linha" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy #| msgid "Generating MDL..." msgid "Generate…" msgstr "Criando…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Descritor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Origem" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) #, fuzzy #| msgid "Y-axis" msgid "X-axis" msgstr "Eixo X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Eixo Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Eixo Z" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Busca Conformacional" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Método" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Number of conformers" msgid "Number of conformers:" msgstr "Número de confórmeros:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) #, fuzzy #| msgid "Systematic Rotor Search" msgid "Systematic rotor search" msgstr "Busca sistemática de rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) #, fuzzy #| msgid "Random Rotor Search" msgid "Random rotor search" msgstr "Busca aleatória de rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) #, fuzzy #| msgid "Weighted Rotor Search" msgid "Weighted rotor search" msgstr "Busca ponderada de rotores" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) #, fuzzy #| msgid "Genetic Algorithm Search" msgid "Genetic algorithm search" msgstr "Buscar Algoritmo Genético" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy #| msgid "\"Energy\" convergence:" msgid "Convergence:" msgstr "Convergência:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Algoritmo de otimização:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Técnica de busca em linha:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Simples" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Método de Newton" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "distância de corte de Van der Waals:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Frequência de atualização do par:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "distância de corte eletrostático:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "Å" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "\"Energia\" de convergência:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "Construtor de Script OpenMM" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Script do trabalho:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "script" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Coordenadas de Entrada:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Topologia de Entrada:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Campo de Força:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Solvente Implícito (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Plataforma:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Referência" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Precisão:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "simples" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "dupla" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "Índice da Plataforma OpenCL:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Restrições:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr " nm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Velocidade inicial aleatória:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrador:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Browniano" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "Intervalo de tempo:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr " fs" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Taxa de colisão:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Temperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Barostato:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Pressão:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr " atm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Intervalo do Barostato" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) #, fuzzy #| msgid "Equilibriation Steps:" msgid "Equilibration Steps:" msgstr "Etapas de Equilíbrio:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Etapas de Produção:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Minimizar?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "Opções StateData:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Tempo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Rapidez" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Progresso" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Energia Potencial" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Energia Cinética" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Energia Total" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "Volume" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "Opções para traçar PDF" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Raio Máximo:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Etapa (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Opções de Padrão de DRX Teórico" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" "

      O alargamento do pico na base (em graus).

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" "

      O valor 2theta máximo em graus.

      Padrão: 162.00°" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" "

      O alargamento dos picos na base em graus.

      Padrão: 0.52958°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Número de pontos:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Largura do pico:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Comprimento de onda:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" "

      O comprimento de onda do raio-x em angstroms.

      Padrão: 1.50560 Å

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" "

      O número de pontos 2theta a criar.

      Padrão: 1000" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "Máx 2*theta:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Download Selecionados" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Raio do Ponto Crítico:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Raio do Caminho da Ligação:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalente" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Tamanho Constante" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Aplicar Cor" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy #| msgid "&Scaling Factor:" msgid "Scale Factor:" msgstr "Fator de Escala:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Peak width:" msgid "Peak Width:" msgstr "Largura do pico:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Aparência" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Mostrar" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Importar..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Mudar Cor..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Espectro Importado:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Exportar..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Fundo:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Export Calculated Spectrum" msgid "Calculated Spectra:" msgstr "Espectro Calculado:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy #| msgid "10^" msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Fechar" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Controles:\n" "Duplo clique esquerdo: Restaura limites padrão de eixos\n" "Clique direito + arrastar: Move gráfico\n" "Clique do meio + arrastar: Zoom na região\n" "Roda do mouse: Zoom para o cursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "&Carregar dados..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Muito Baixo" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Baixo" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Médio" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Alto" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Muito Alto" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Criar Superfícies" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Superfície:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alfa" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Cor por:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Resolução:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Valor da Isosuperfície:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " K" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Claro" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calcular" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molécula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Átomos simetricamente equivalentes:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operações" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Elementos de simetria:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Subgrupos" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Subgrupos:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolerância:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normal" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Larga" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Detectar Simetria" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) #, fuzzy #| msgid "Center" msgid "Centers" msgstr "Centralizar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) #, fuzzy msgid "Formal Charge:" msgstr "Carga formal:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "Tipo:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) #, fuzzy #| msgid "&Copy to Clipboard" msgid "From Clipboard" msgstr "Da Área de Transferência" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy #| msgid "Group %1" msgid "Groups" msgstr "Grupo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Group %1" msgid "Group:" msgstr "Grupo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Modos Vibracionais" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitude:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "Iniciar Animação" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "Parar Animação" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "Seus nomes" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "Seus e-mails" #~ msgid "Partial Charge" #~ msgstr "Carga Parcial" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animação" #, fuzzy #~| msgid "Van der Waals (AO)" #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals (OA)" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "Exibição simples de esferas VdW com oclusão ambiental." #~ msgid "Geometry" #~ msgstr "Geometria" #~ msgid "Add Unit Cell" #~ msgstr "Adicionar Célula Unitária" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Índices dos Átomos" #, fuzzy #~ msgid "By Distance" #~ msgstr "Distância:" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Índices dos Átomos" #, fuzzy #~| msgid "Copy" #~ msgid "&Copy" #~ msgstr "Copiar" #, fuzzy #~| msgid "Molecule Charge:" #~ msgid "Molecule Name:" #~ msgstr "Carga da Molécula:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Massa Molecular (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Fórmula Química:" #~ msgid "Number of Atoms:" #~ msgstr "Número de Átomos:" #~ msgid "Number of Bonds:" #~ msgstr "Número de Ligações:" #, fuzzy #~ msgid "Line Size:" #~ msgstr "Largura do pico:" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "Otimização" #, fuzzy #~ msgid "In." #~ msgstr "Em:" #~ msgid "ABPS Input (*.in)" #~ msgstr "Entrada ABPS (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "Selecionar o interpretador python usado para executar scripts de criador " #~ "de entrada.\n" #~ "O Avogadro deve ser reiniciado para que as alterações tenham efeito." #, fuzzy #~| msgid "Set Python Path..." #~ msgid "Set Python Path…" #~ msgstr "Definir Caminho Python..." #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Fragmento..." #, fuzzy #~| msgid "Functional" #~ msgid "Functional Groups" #~ msgstr "Funcional" #~ msgid "Help..." #~ msgstr "Ajuda..." #~ msgid "Submit Calculation..." #~ msgstr "Submeter Cálculo..." #~ msgid "Save File..." #~ msgstr "Salvar Arquivo..." #~ msgid "Record Movie..." #~ msgstr "Gravar Vídeo..." #~ msgid "Other..." #~ msgstr "Outro..." #~ msgid "Client server operations." #~ msgstr "Operações cliente-servidor." #~ msgid "S&erver" #~ msgstr "S&ervidor" #~ msgid "Connection failed" #~ msgstr "Falha na conexão" #, qt-format #~ msgid "The connection to %2:%3 failed: connection refused." #~ msgstr "A conexão com %2:%3 falhou: conexão recusada." #~ msgid "Remote service error" #~ msgstr "Erro no servidor remoto" #, qt-format #~ msgid "Connection failed with: %1" #~ msgstr "A conexão falhou com: %1" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*.%1" #~ msgid "Client server" #~ msgstr "Servidor cliente" #~ msgid "Connection refused" #~ msgstr "Conexão recusada" #, qt-format #~ msgid "Connection to %2:%3 succeeded!" #~ msgstr "Conexão a %2:%3 bem-sucedida!" #~ msgid "Filename" #~ msgstr "Nome do arquivo" #~ msgid "Formula" #~ msgstr "Fórmula" #~ msgid "&MongoChem" #~ msgstr "&MongoChem" #~ msgid "Mongo Chem Server" #~ msgstr "Servidor Mongo Chem" #~ msgid "Interface with Mongo Chem Server." #~ msgstr "Interface com Servidor Mongo Chem." #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Carregar Arquivo de Estrutura" #~ msgid "Server settings" #~ msgstr "Configurações de servidor" #~ msgid "&Hostname:" #~ msgstr "Nome do &Host:" #~ msgid "Port" #~ msgstr "Porta" #~ msgid "Test C&onnection..." #~ msgstr "Testar C&onexão..." #~ msgid "Look in:" #~ msgstr "Olhar dentro:" #~ msgid "Navigate Back" #~ msgstr "Navegar para Trás" #~ msgid "Navigate Forward" #~ msgstr "Navegar para Frente" #~ msgid "Navigate Up" #~ msgstr "Navegar para Cima" #~ msgid "File name:" #~ msgstr "Nome do Arquivo:" #~ msgid "OK" #~ msgstr "OK" #~ msgid "Files of type:" #~ msgstr "Arquivos do tipo:" #~ msgid "Cancel" #~ msgstr "Cancelar" #~ msgid "MongoChem Config" #~ msgstr "Config MongoChem" #~ msgid "API Key:" #~ msgstr "Chave API:" #~ msgid "Image:" #~ msgstr "Imagem:" #~ msgid "Input Parameters:" #~ msgstr "Parâmetros de Entrada:" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Nome do Elemento." #~ msgid "'c' coordinate." #~ msgstr "coordenada de rede 'c'." #~ msgid "All files (*);;" #~ msgstr "Todos os arquivos (*);;" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Romboédrico" #, fuzzy #~| msgid "Insert Molecule..." #~ msgid "Insert Molecule..." #~ msgstr "Inserir Molécula..." #, fuzzy #~| msgid "Generating 3D molecule..." #~ msgid "Generating 3D molecule..." #~ msgstr "A criar molécula 3D..." #, qt-format #~ msgid "%1: File exists and is not writable." #~ msgstr "%1: Arquivo existe e não é gravável." #, fuzzy #~ msgid "Simple display of Cartoons family." #~ msgstr "Exibição simples de esferas VdW." #~ msgid "Error interpreting obabel CML output." #~ msgstr "Erro ao interpretar a saída obabel CML." #~ msgid "Error generating CML data." #~ msgstr "Erro ao criar dados CML." #, fuzzy #~ msgid "Run APBS..." #~ msgstr "Executar APBS" #, fuzzy #~ msgid "Open Output File..." #~ msgstr "Abrir Arquivo de Saída" #~ msgid "Edit Unit Cell..." #~ msgstr "Editar Célula Unitária..." #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS" #~ msgid "&Import From PQR" #~ msgstr "&Importar de PQR" #~ msgid "Crystal..." #~ msgstr "Cristal..." #, fuzzy #~ msgid "Write" #~ msgstr "escrevem" #~ msgid "SMILES..." #~ msgstr "SMILES..." #~ msgid "InChI..." #~ msgstr "InChI..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Adicionar hidrogênios para pH..." #~ msgid "Atom Properties..." #~ msgstr "Propriedades dos Átomos..." #~ msgid "Bond Properties..." #~ msgstr "Propriedades das Ligações..." #~ msgid "Angle Properties..." #~ msgstr "Propriedades do Ângulo..." #~ msgid "Torsion Properties..." #~ msgstr "Propriedades das Torsões..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Propriedades da Molécula" #~ msgid "Create Surfaces..." #~ msgstr "Criar Superfícies..." #~ msgid "Symmetry..." #~ msgstr "Simetria..." #~ msgid "&Exit" #~ msgstr "Sai&r" #~ msgid "Insert Fragment..." #~ msgstr "Inserir Fragmento..." #~ msgid "Option '%1' not found in userOptions." #~ msgstr "Opção '%1' não encontrada em userOptions." #~ msgid "" #~ "'userOptions' missing, or not an object:\n" #~ "%1" #~ msgstr "" #~ "'userOptions' ausente ou não é um objeto:\n" #~ "%1" #~ msgid "Theory:" #~ msgstr "Teoria:" #~ msgid "Default value missing for option '%1'." #~ msgstr "Valor padrão ausente para a opção '%1'." #~ msgid "Distance: %L1 Å" #~ msgstr "Distância: %L1 Å" #~ msgid "Reset to Default Values" #~ msgstr "Redefinir para Valores Padrão" #~ msgid "Write files to disk..." #~ msgstr "Gravar arquivos no disco..." #~ msgid "Rotatable" #~ msgstr "Rotacionável" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Confôrmero %1\n" #~ "Tamanho %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Confôrmero %1\n" #~ "ângulo %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Ângulo %1" #, fuzzy #~ msgid "Angle" #~ msgstr "Ângulo:" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Confôrmero %1\n" #~ "Torsão %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torção %1" #~ msgid "Torsion" #~ msgstr "Torsão" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energia (kJ/mol)" #~ msgid "Yes" #~ msgstr "Sim" #~ msgid "No" #~ msgstr "Não" #~ msgid "&Quantum" #~ msgstr "&Quantum" #~ msgid "Input Generators" #~ msgstr "Geradores de Entrada" #~ msgid "Import" #~ msgstr "Importar" #~ msgid "Insert SMILES" #~ msgstr "Inserir SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Inserir fragmentos de SMILES:" #~ msgid "Insert Crystal" #~ msgstr "Inserir Cristal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Inserir fragmentos moleculares para construir moléculas maiores" #~ msgid "Plugin Downloader" #~ msgstr "Plugin de Download" #~ msgid "E&xtensions" #~ msgstr "E&xtensões" #~ msgid "Symmetry Properties..." #~ msgstr "Propriedades de Simetria..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimiza Geometria" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Otimização Geométrica" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Adicionar Hidrogênios" #, fuzzy #~ msgid "Stopped" #~ msgstr "Parar" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Superfícies" #~ msgid "Color by Index" #~ msgstr "Colorir pelo índice" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Colorir pelo índice (vermelho, laranja, amarelo, verde, azul, violeta)" #~ msgid "Color by Partial Charge" #~ msgstr "Colorir por carga parcial" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Colorir por carga atômica parcial (azul=positivo, vermelho=negativo." #~ msgid "Custom Color:" #~ msgstr "Cor personalizada:" #~ msgid "Set custom colors for objects" #~ msgstr "Definir cores personalizadas para os objetos" #~ msgid "Color by Distance" #~ msgstr "Colorir por distância" #~ msgid "Color by distance from the first atom." #~ msgstr "Colorir por distância a partir do primeiro átomo" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Colorir pelo elemento (carbono = cinza, oxigênio = vermelho, ....)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Colorir por resíduo (tipo de aminoácido, hidrofobicidade, ...)" #~ msgid "SMARTS Pattern:" #~ msgstr "Padrão SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Destacar Cor:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Cor por padrão SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "" #~ "Realçar funcionalidades particulares que coincidem com o padrão SMARTS." #~ msgid "Ununtrium" #~ msgstr "Ununtrio" #~ msgid "Ununpentium" #~ msgstr "Ununpentio" #~ msgid "Ununseptium" #~ msgstr "Ununséptio" #~ msgid "Ununoctium" #~ msgstr "Ununoctio" #~ msgid "Engines" #~ msgstr "Mecanismos" #~ msgid "Axes" #~ msgstr "Eixos" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Renderiza as primitivas usando bolas (átomos) e bastões (ligações)" #~ msgid "Hydrogen Bond" #~ msgstr "Ligação de Hidrogênio" #~ msgid "Renders hydrogen bonds" #~ msgstr "Renderiza ligações de hidrogênio" #~ msgid "Select Atom Labels Color" #~ msgstr "Selecione a Cor da Etiqueta do Átomo" #~ msgid "Select Bond Labels Font" #~ msgstr "Selecione a Fonte da Etiqueta do Vínculo" #~ msgid "Polygon" #~ msgstr "Polígono" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Renderiza átomos como tetraedro, octaedro e outros polígonos" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Renderiza cadeias principais (protein backbones) como fitas" #~ msgid "Ring" #~ msgstr "Anel" #~ msgid "Renders rings with colored planes" #~ msgstr "Renderiz anéis com planos coloridos" #~ msgid "Simple Wireframe" #~ msgstr "Estrutura de Arame Simples" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "" #~ "Renderiza ligações como arames (linhas), ideal para moléculas grandes" #~ msgid "Van der Waals Spheres" #~ msgstr "Esferas de Van der Waals" #~ msgid "Stick" #~ msgstr "Bastão" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Densidade eletrônica, isosurface = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosurface = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Renderiza moléculas como arames (linhas), ideal para (bio)moléculas muito " #~ "extensas" #~ msgid "Trajectory files" #~ msgstr "Arquivos de trajetórias" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Arquivos DL-POLY HISTORY" #~ msgid "Open Trajectory File" #~ msgstr "Abrir Arquiv de Trajetória" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Acrescentando extensão .avi" #~ msgid "Animation..." #~ msgstr "Animação..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Não foi possível ler a extensão do arquivo %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Leitura do arquivo de trajetória %1 falhou." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Deve especificar um nome válido para arquivo .avi" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "O widget (elemento de interface) GL não foi iniciado corretamente para " #~ "poder salvar vídeo" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Nome inválido para arquivo de video. Deve-se incluir o caminho completo " #~ "para o diretório" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Nome inválido para arquivo de video. Deve-se incluir o caminho completo " #~ "para o diretório e nome, terminando com .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Não foi possível determinar o formato do arquivo: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animar trajetórias, reações e vibrações." #~ msgid "Cartesian Editor" #~ msgstr "Editor Cartesiano" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Sem célula unitária definida por molécula -- não pode usar coordenadas " #~ "fracionárias." #~ msgid "Cartesian Editor..." #~ msgstr "Editor Cartesiano..." #~ msgid "Cartesian editor" #~ msgstr "Editor cartesiano" #~ msgid "Number of atoms: %1" #~ msgstr "Número de átomos: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Número de ligações rotacionáveis: %1" #~ msgid "Add constraint" #~ msgstr "Adicionar restrição" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Sua molécula deve conter ao menos um átomo para adicionar uma restrição" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Sua molécula deve conter ao menos dois átomos para adicionar uma " #~ "restrição de ligação" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Sua molécula deve conter ao menos três átomos para adicionar uma " #~ "restrição angular" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Sua molécula deve conter ao menos quatro átomos para adicionar uma " #~ "restrição de torsão" #~ msgid "&Crystallography" #~ msgstr "&Cristalografia" #~ msgid "&Reduce" #~ msgstr "&Reduzir" #~ msgid "&Length Unit" #~ msgstr "&Unidade de comprimento" #~ msgid "&Angle Unit" #~ msgstr "Unidade de Â&ngulo" #~ msgid "Coordinate &Preservation" #~ msgstr "Coordenada &Preservação" #~ msgid "&Matrix Display" #~ msgstr "&Display da Matriz" #~ msgid "Show &Editors" #~ msgstr "Exibir &Editores" #~ msgid "Hide &Property Display" #~ msgstr "Ocultar Tela de &Propriedades" #~ msgid "Show &Property Display" #~ msgstr "Exibir Tela de &Propriedades" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Tipo de rede: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Grupo espacial: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Unidade de volume da célula: %L1%2" #~ msgid "Undefined" #~ msgstr "Indefinido" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triclínico" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoclínico" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ortorômbico" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonal" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hexagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Cúbico" #~ msgid "Paste Crystal" #~ msgstr "Colar Cristal" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Falha na redução Niggli. A estrutura de entrada está confundindo o " #~ "algoritmo de redução Niggli. Tente fazer uma pequena perturbação (cerca " #~ "de 2 ordens de magnitude menor do que a tolerância) para a entrada de " #~ "reticulados e tente novamente." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Falha ao reduzir célula após 1000 iterações do algoritmo de redução. " #~ "Interrompendo." #~ msgid "Perceive Space&group..." #~ msgstr "Sugerir Grupo Espacial" #~ msgid "Set &Spacegroup..." #~ msgstr "Definir &Spacegroup" #~ msgid "&Fill Unit Cell" #~ msgstr "&Fill Célula Unitária" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Preencher célula unitária usando o grupo espacial atual" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Reduzir Célula (&Primitiva)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanômetro" #~ msgid "&Picometer" #~ msgstr "&Picômetro" #~ msgid "&Degree" #~ msgstr "&Grau" #~ msgid "&Radian" #~ msgstr "&Radiano" #~ msgid "Display &cartesian coordinates" #~ msgstr "Mostrar coordenadas &cartesianas" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Preservar Coordenadas &Cartesianas Durante Modificação da Célula" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Preservar Coordenadas &Fracionais Durante Modificação da Célula" #~ msgid "Display &cartesian matrix" #~ msgstr "Mostrar matriz &cartesiana" #~ msgid "Display &fractional matrix" #~ msgstr "Mostrar matriz &fracional" #~ msgid "Display as &row vectors" #~ msgstr "Mostrar como &row vetores" #~ msgid "Display as &column vectors" #~ msgstr "Mostrar como &column vetores" #~ msgid "&Crystal View Options..." #~ msgstr "&Cristal Opções de Visualização" #~ msgid "Crystallography" #~ msgstr "Cristalografia" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Construir e analisar estruturas periódicas" #~ msgid "VASP Format\n" #~ msgstr "Formato VASP\n" #~ msgid "No GLWidget?" #~ msgstr "Sem GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Favor selecionar um ou mais átomos." #~ msgid "Trajectory..." #~ msgstr "Trajetória..." #~ msgid "Open chemical file format" #~ msgstr "Abrir formato de arquivo químico" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Arquivos químicos (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Abrir arquivo de parâmetros" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Arquivos químicos (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Importar Trajetória" #~ msgid "Import trajectory files" #~ msgstr "Importa arquivos de trajetória" #~ msgid "Calculate Energy" #~ msgstr "Calcular Energia" #~ msgid "Conformer Search..." #~ msgstr "Busca Conformacional..." #~ msgid "Constraints..." #~ msgstr "Restrições..." #~ msgid "ForceField" #~ msgstr "Campo de Força" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimiza moléculas e gera conformações (confórmeros) por meio de campos " #~ "de força de mecânica molecular (MM)" #~ msgid "Common vector image formats" #~ msgstr "Formatos comuns de imagens vetoriais" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Change H to Methyl" #~ msgstr "Trocar H por Metil" #~ msgid "H to Methyl" #~ msgstr "H para Metil" #~ msgid "H2Methyl" #~ msgstr "H2Metil" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transformar hidrogênios em grupos metila" #~ msgid "Add or remove hydrogens" #~ msgstr "Adiciona ou remove hidrogênios" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Inserir cadeias de DNA/RNA" #~ msgid "Peptide..." #~ msgstr "Peptídeo..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Inserir sequências de oligopeptídeo" #~ msgid "Invert Chirality" #~ msgstr "Inverter Quiralidade" #~ msgid "Invert chiral centers" #~ msgstr "Inverter centros quirais" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "desconhecido" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Momento Dipolar Estimado (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Exibir propriedades moleculares padrões" #~ msgid "Fetch by chemical name..." #~ msgstr "Buscar pelo nome químico..." #~ msgid "Fetch from URL..." #~ msgstr "Buscar na URL..." #~ msgid "PDB Entry" #~ msgstr "Entrada PDB" #~ msgid "PDB entry to download." #~ msgstr "Entrada PDB para download." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL da molécula para baixar." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "A molécula especificada não pode ser carregada: %1" #~ msgid "Network Fetch" #~ msgstr "Busca da Rede" #~ msgid "Fetch molecule files over the network." #~ msgstr "Busca de arquivos de moléculas através da rede." #~ msgid "no file found" #~ msgstr "arquivo não encontrado" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Há algo errado na estrutura do arquivo" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "Há algo errado na estrutura do arquivo - unitcells" #~ msgid "Something is wrong in the IR output! " #~ msgstr "Há algo errado na saída do IV! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "Há algo errado na saída do raman! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "Há algo errado na saída da energia do orbital! " #~ msgid "No geometry found in file!" #~ msgstr "Não foi encontrada geometria no arquivo!" #~ msgid "Could not read file!" #~ msgstr "Não foi possível ler o arquivo!" #~ msgid "Analyse Orca Output..." #~ msgstr "Analisar Saída Orca..." #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "Orca Test Example" #~ msgstr "Exemplo de Teste Orca" #~ msgid "Provides a dialog box with the words \"H...\"." #~ msgstr "Fornece uma caixa de diálogo com as palavras \"H ...\"." #~ msgid "Show Preview" #~ msgstr "Mostrar Pré-visualização" #~ msgid "Hide Preview" #~ msgstr "Ocultar Pré-visualização" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Savar imagem com renderização POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Arquivos de imagem (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Não foi indicado nome válido de arquivo." #~ msgid "Does not compute." #~ msgstr "Não computa." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Você não requisitou nenhuma renderização direta usando POV-Ray nem " #~ "requisitou manter o arquivo do POV-Ray. Isso resultará que nenhuma saída " #~ "será guardada. Tem certeza de que é isso que quer?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "O arquivo %1 não pode ser escrito. Você tem permissões para escrever " #~ "neste local?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray falhou ao iniciar." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray não conseguiu iniciar corretamente. Confira se está correto o " #~ "caminho para seu executável." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Criar arquivos POV-Ray e renderizá-los usando a linha de comandos do " #~ "programa POV-Ray." #~ msgid "Conformer Properties..." #~ msgstr "Propriedades do Confórmero..." #~ msgid "Python Terminal" #~ msgstr "Terminal Python" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Console Interativo do Python" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Gostaria de atualizar o texto prévio, perdendo todas as mudanças feitas " #~ "no arquivo de entrada de dados Dalton?" #~ msgid "QM Matches" #~ msgstr "Resultados para MQ" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Seleção de EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Seleção MQ..." #~ msgid "Delete" #~ msgstr "Excluir" #~ msgid "You must make a selection!" #~ msgstr "Você deve fazer uma seleção!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Conversão para SMILES Indisponível" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Conversão para o Formato SMILES Não Disponível!" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "" #~ "Criar arquivos de entrada de dados para o pacote de química quântica " #~ "GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Configurações Avançadas Modificadas" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "As configurações avançadas foram modificadas.\n" #~ "Descartar?" #~ msgid "Advanced Settings Reset" #~ msgstr "Restaurar Configurações Avançadas" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Tem certeza que deseja restaurar as configurações avançadas?\n" #~ "Todas as modificações serão perdidas!" #~ msgid "Basic Settings Reset" #~ msgstr "Restaurar Configurações Básicas" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Tem certeza que deseja restaurar as configurações básicas?\n" #~ "Todas as modificações serão perdidas!" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Holerite Gaussiano" #~ msgid "Gaussian Running." #~ msgstr "A rodar Gaussian." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian já está a rodar. Espere até que os cálculos sejam concluídos." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian Não Instalado." #~ msgid "The G03 executable, cannot be found." #~ msgstr "O executável do G03 não foi encontrado." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 não iniciou. Talvez ele não esteja corretamente instalado." #~ msgid "Running Gaussian calculation..." #~ msgstr "A rodar cálculo Gaussian..." #~ msgid "G03 Crashed." #~ msgstr "G03 Travou." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian não rodou corretamente. Talvez não esteja corretamente instalado." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussiano..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "MOPAC Input Warning" #~ msgstr "Alerta Holerite MOPAC" #~ msgid "MOPAC Running." #~ msgstr "Executando MOPAC." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC já está em execução. Aguarde até que termine os cálculos." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC não está instalado." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "O executável MOPAC não foi encontrado." #~ msgid "MOPAC failed to start." #~ msgstr "Falha ao iniciar MOPAC." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC não iniciou. Talvez não esteja corretamente instalado." #~ msgid "Running MOPAC calculation..." #~ msgstr "Executando cálculo do MOPAC..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC trancou." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC não foi executado corretamente. Talvez não esteja corretamente " #~ "instalado." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Holerite NWChem" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Alerta do Gerador de Holerite Q-Chem" #~ msgid "Select SMARTS..." #~ msgstr "Selecione SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Adicionar seleção nomeada..." #~ msgid "SMARTS Selection" #~ msgstr "Seleção SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Padrão SMARTS para selecionar" #~ msgid "There is no current selection." #~ msgstr "Não há nada selecionado." #~ msgid "Add Named Selection" #~ msgstr "Adicionar Nome à Seleção" #~ msgid "Name cannot be empty." #~ msgstr "Deve-se preencher com o nome." #~ msgid "There is already a selection with this name." #~ msgstr "Já existe uma seleção com esse nome." #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Selecionar átomos, ligações, resíduos..." #~ msgid "GLSL Shaders..." #~ msgstr "Shaders GLSL..." #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Arquivos vertex shader (*.vert)" #~ msgid "Transmittance (%)" #~ msgstr "Transmitância (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbância (%)" #~ msgid "No intensities" #~ msgstr "Sem intensidades" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Os dados vibracionais da molécula que você carregou não contém dados de " #~ "intensidade. Intensidades foram configuradas para um valor arbitrário " #~ "para a visualização." #~ msgid "Activity" #~ msgstr "Atividade" #~ msgid "X Axis" #~ msgstr "Eixo X" #~ msgid "Y Axis" #~ msgstr "Eixo Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Configurações do Espectro de &Infravermelho" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "Configurações do Espectro &RMN" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "No data" #~ msgstr "Sem dados" #~ msgid "Dark" #~ msgstr "Escuro" #~ msgid "Publication" #~ msgstr "Publicação" #~ msgid "New Scheme" #~ msgstr "Novo Esquema" #~ msgid "Confirm Scheme Removal" #~ msgstr "Conformar Remoção de Esquema" #~ msgid "Really remove current scheme?" #~ msgstr "Remover esquema atual?" #~ msgid "Change Scheme Name" #~ msgstr "Alterar Nome do Esquema" #~ msgid "Enter new name for current scheme:" #~ msgstr "Fornça novo nome ao esquema atual:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Valores Separados por Tabulação (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Valores Separados por Tabulação" #~ msgid "Comma Separated Values" #~ msgstr "Valores Separados por Vírgula" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Extensão desconhecida: %1" #~ msgid "Data Format" #~ msgstr "Formato de Dados" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Formato" #~ msgid "Load Spectral Data" #~ msgstr "Carregar Dados Espectrais" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Formato TIFF" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "salvar Imagem do Espectro" #~ msgid "&Spectra..." #~ msgstr "E&spectro..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "" #~ "Visualizar dados espectrais a partir de cálculos de química quântica" #~ msgid "Vibrational Analysis" #~ msgstr "Análise Vibracional" #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "" #~ "Visualizar modos de vibração a partir de cálculos de química quântica" #~ msgid "Super Cell Builder..." #~ msgstr "Construtor de Supercélula..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Esse documento é uma molécula isolada. Você precisa criar uma célula " #~ "unitária." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Contrói e exibe supercélulas cristalográficas" #~ msgid "Orbitals" #~ msgstr "Orbitais" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Densidade Eletrônica" #~ msgid "Calculating VdW Cube" #~ msgstr "Calculando Cubo VdW" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Calculando OM %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "O widget GL não foi inicializado corretamente, impossibilitando que se " #~ "grave um vídeo." #~ msgid "Building video " #~ msgstr "Criando video " #~ msgid "Could not run mencoder." #~ msgstr "Não foi possível rodar mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Mudar a Razão de Aspecto" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "A cena atual do Avogadro tem tamanho de %1x%2 pixels, e portanto tem " #~ "razão de aspecto %3.\n" #~ "Você pode manter este valor, se pretender por exemplo utilizar POV-Ray\n" #~ "para produzir uma imagem de %4x1000 pixels, ou pode inserir qualquer " #~ "outro valor positivo,\n" #~ "por exemplo 1 se pretende utilizar POV-Ray para produzir uma imagem " #~ "quadrada, como 1000x1000 pixels." #~ msgid "Connect" #~ msgstr "Conectar" #~ msgid "Disconnect" #~ msgstr "Desconectar" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Contexto OpenGL Inválido.\n" #~ "Algo está totalmente danificado em sua instalação OpenGL (você consegue " #~ "executar qualquer aplicação OpenGL?), ou você encontrou um bug." #~ msgid "Debug Information" #~ msgstr "Informações de Debug" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Tamanho da Visualização: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Átomos: %L1" #~ msgid "File type '%1' is not supported for reading." #~ msgstr "O Tipo de arquivo '%1' não é suportado." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "O tipo de arquivo '%1' não por ser lido." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Falha ao ler molécula com índice %1 do arquivo '%2'." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Tipo de Arquivo '%1' não pode ser escrito." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "O formato do arquivo '%1' não pode ser escrito." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Não possível abrir o arquivo '%1'." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Falha ao substituir molécula com índice %1 no arquivo '%2'." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Arquivo %1 não pôde ser aberto para leitura." #~ msgid "File %1 can not be opened for writing." #~ msgstr "O Arquivo %1 não pode ser aberto para escrita" #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Falha ao salvar arquivo molecular - não foi possível renomear o arquivo " #~ "original." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Falha ao salvar arquivo molecular - não foi possível renomear o novo " #~ "arquivo." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Falha ao salvar arquivo molecular - não foi possível remover o arquivo " #~ "antigo." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Falha ao escrever no arquivo '%1'. Falha de funcionamento do OpenBabel." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Arquivo %1 não pôde ser aberta para escrita." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Falha ao escrever os confórmeros no arquivo '%1'." #~ msgid "Molecule %1" #~ msgstr "Molécula %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Motor Python Desconhecido" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: verificando " #~ msgid " - no module" #~ msgstr " - sem módulo" #~ msgid "Unknown Python Extension" #~ msgstr "Extensão Python Desconhecida" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: verificando " #~ msgid "Unknown Python Tool" #~ msgstr "Ferramenta Python Desconhecida" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: verificando " #~ msgid "Tools" #~ msgstr "Ferramentas" #~ msgid "Align:" #~ msgstr "Alinhar:" #~ msgid "Everything" #~ msgstr "Tudo" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOtimização: Não foi possível habilitar o campo de força..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOtimização: E = %1 %2 (dE = %3)" #~ msgid "Steps per Update:" #~ msgstr "Passos por Atualização:" #~ msgid "Algorithm:" #~ msgstr "Algoritmo:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Dinâmica Molecular (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Dinâmica Molecular (900k)" #~ msgid "Start" #~ msgstr "Iniciar" #~ msgid "Fixed atoms are movable" #~ msgstr "Átomos fixos são movíveis" #~ msgid "Ignored atoms are movable" #~ msgstr "Átomos ignorados são movíveis" #~ msgid "AutoOpt Molecule" #~ msgstr "AutoOtimizar Molécula" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Otimização automática da geometria molecular" #~ msgid "AutoOptimization Settings" #~ msgstr "Configurações de Otimização" #~ msgid "Auto Rotation Tool" #~ msgstr "Ferramenta de Auto Rotação" #~ msgid "x rotation:" #~ msgstr "Rotação em x:" #~ msgid "x rotation" #~ msgstr "Rotação em x" #~ msgid "y rotation:" #~ msgstr "Rotação em y:" #~ msgid "y rotation" #~ msgstr "Rotação em y" #~ msgid "z rotation:" #~ msgstr "Rotação em z:" #~ msgid "z rotation" #~ msgstr "Rotação em z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Rotação automática de moléculas" #~ msgid "AutoRotate Settings" #~ msgstr "Definições de Autorrotação" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Comprimento de Ligação: %L1" #~ msgid " Show Angles" #~ msgstr " Exibir Ângulos" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Distância (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Distância (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Ângulo Diédrico: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Distância(s):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Medir comprimentos de ligação, ângulos, e diedros" #~ msgid "Draw Bond" #~ msgstr "Desenhar Ligação" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Desenhar e editar átomos e ligações" #~ msgid "Draw Settings" #~ msgstr "Propriedades de Desenho" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Transladar, rotacionar, e ajustar átomos e fragmentos" #~ msgid "Manipulate Settings" #~ msgstr "Configurações de Manipulação" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Transladar, rotacionar, e ampliar em torno da visualização atual" #~ msgid "Navigate Settings" #~ msgstr "Configurações de Navegação" #~ msgid "Selection Mode:" #~ msgstr "Modo de Seleção:" #~ msgid "Atom/Bond" #~ msgstr "Átomo/Ligação" #~ msgid "Residue" #~ msgstr "Resíduo" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Selecionar átomos, resíduos e moléculas" #~ msgid "Symbol" #~ msgstr "Símbolo" #~ msgid "Bond Length" #~ msgstr "Comprimento de Ligação" #~ msgid "Dihedral Angle" #~ msgstr "Ângulo Diédrico" #~ msgid "Z Matrix Editor..." #~ msgstr "Editor Matriz Z..." #~ msgid "Z-Matrix" #~ msgstr "Matriz-Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Criar/editar uma matriz-z" #~ msgid "Z-Matrix Settings" #~ msgstr "Configurações para Matriz-Z" #~ msgid "Color residues by:" #~ msgstr "Colorir resíduois por:" #~ msgid "Hydrophobicity" #~ msgstr "Hidrofobia" #~ msgid "Axes:" #~ msgstr "Eixos:" #~ msgid "Cartesian Axes" #~ msgstr "Eixos Cartesianos" #~ msgid "Orthogonal Axes" #~ msgstr "Eixos Ortogonais" #~ msgid "Axis 1:" #~ msgstr "Eixo 1:" #~ msgid "Axis 2:" #~ msgstr "Eixo 2:" #~ msgid "Axis 3:" #~ msgstr "Eixo 3:" #~ msgid "Origin:" #~ msgstr "Origem:" #~ msgid "Atom Radius:" #~ msgstr "Raio dos Átomos:" #~ msgid "Bond Radius:" #~ msgstr "Raio das Ligações:" #~ msgid "Shape" #~ msgstr "Forma" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Repetir" #~ msgid "Dipole:" #~ msgstr "Dipolo:" #~ msgid "Custom:" #~ msgstr "Personalizar:" #~ msgid "Width:" #~ msgstr "Largura:" #~ msgid "Cut-off radius:" #~ msgstr "Raio de corte:" #~ msgid "Cut-off angle:" #~ msgstr "Ângulo de corte:" #~ msgid "Text:" #~ msgstr "Texto:" #~ msgid "Partial charge" #~ msgstr "Carga parcial" #~ msgid "Residue number" #~ msgstr "Número do Resíduo" #~ msgid "Change Font" #~ msgstr "Alterar Fonte" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Bond length" #~ msgstr "Comprimento da ligação" #~ msgid "Bond number" #~ msgstr "Número da Ligação" #~ msgid "Bond order" #~ msgstr "Ordem da Ligação" #~ msgid "Radius:" #~ msgstr "Raio:" #~ msgid "Include Nitrogens" #~ msgstr "Incluir Nitorgênios" #~ msgid "VdW Opacity:" #~ msgstr "Opacidade VdW" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Render:" #~ msgstr "Renderizar:" #~ msgid "Fill" #~ msgstr "Preenchimento" #~ msgid "Points" #~ msgstr "Pontos" #~ msgid "Draw Box:" #~ msgstr "Desenhar Caixa:" #~ msgid "Mapped Colors" #~ msgstr "Cores Mapeadas" #~ msgid "Positive" #~ msgstr "Positivo" #~ msgid "Negative" #~ msgstr "Negativo" #~ msgid "Show Atoms" #~ msgstr "Exbir Átomos" #~ msgid "Animate Trajectory" #~ msgstr "Trajetória animada" #~ msgid "0/0" #~ msgstr "0/0" #~ msgid "Save as .avi..." #~ msgstr "Salvar como .avi..." #~ msgid "Angstroms" #~ msgstr "Angstroms" #~ msgid "Bohrs" #~ msgstr "Bohrs" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "Apply Changes" #~ msgstr "Aplicar Alterações" #~ msgid "Paste to the End" #~ msgstr "Colar ao Final" #~ msgid "Sort by " #~ msgstr "Organizar por " #~ msgid "Number of atoms:" #~ msgstr "Número de átomos:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Número de ligações rotacionáveis:" #~ msgid "Ignore Atom" #~ msgstr "Ignorar Átomo" #~ msgid "Fix Atom" #~ msgstr "Fixar Átomo" #~ msgid "Fix Atom X" #~ msgstr "Fixar Átomo em X" #~ msgid "Fix Atom Y" #~ msgstr "Fixar Átomo em Y" #~ msgid "Fix Atom Z" #~ msgstr "Ficar Átomo em Z" #~ msgid "Torsion angle" #~ msgstr "Ângulo de Torsão" #~ msgid "Add" #~ msgstr "Adicionar" #~ msgid "Save" #~ msgstr "Salvar" #~ msgid "Load" #~ msgstr "Carregar" #~ msgid "Cartesian" #~ msgstr "Cartesiano" #~ msgid "All" #~ msgstr "Todos" #~ msgid "File Import..." #~ msgstr "Importar Arquivo..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Tentar observar ligações?" #~ msgid "Setup Force Field" #~ msgstr "Configurar Campo de Força" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Número de passos" #~ msgid "Algorithm" #~ msgstr "Algoritmo" #~ msgid "10e-" #~ msgstr "10e-" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Arginina" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Asparagina" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "Ácido Aspártico" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Cisteína" #~ msgid "Cys" #~ msgstr "Cis" #~ msgid "Glutamic acid" #~ msgstr "Ácido Glutâmico" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Glutamina" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Glicina" #~ msgid "Gly" #~ msgstr "Gli" #~ msgid "Histidine" #~ msgstr "Histidina" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "Isoleucina" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyr" #~ msgstr "Tir" #~ msgid "Tryptophan" #~ msgstr "Triptofano" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "Treonina" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "Serina" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Prolina" #~ msgid "Phenylalanine" #~ msgstr "Fenilalanina" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "Metionina" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Lisina" #~ msgid "Lys" #~ msgstr "Lis" #~ msgid "Leucine" #~ msgstr "Leucina" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "Sequência (N até C):" #~ msgid "Stereochemistry:" #~ msgstr "Estereoquímica:" #~ msgid "L" #~ msgstr "E" #~ msgid "N Terminus:" #~ msgstr "Estação N:" #~ msgid "C Terminus:" #~ msgstr "Estação C:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Alpha Helix" #~ msgstr "Alfa Hélice" #~ msgid "Beta Sheet" #~ msgstr "Folha Beta" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Número de Resíduos:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energia (kj/mol)" #~ msgid "Dipole Moment (D):" #~ msgstr "Momento Dipolar (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Avançado" #~ msgid "Control" #~ msgstr "Controle" #~ msgid "Grid" #~ msgstr "Grade" #~ msgid "POV-Ray Export" #~ msgstr "Exportar POV-Ray" #~ msgid "Select..." #~ msgstr "Selecionar..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Antialias" #~ msgstr "Suavizar" #~ msgid "Set the background color to be transparent" #~ msgstr "Definir cor de fundo transparente" #~ msgid "Alpha transparency" #~ msgstr "Transparência alfa" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Renderiza diretamente a molécula usando linahs de comando POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Mantém a fonte POV-Ray após a renderização ter sido concluída" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Manter fonte POV-Ray após renderizar" #~ msgid "Path:" #~ msgstr "Caminho:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Compute..." #~ msgstr "Computar..." #~ msgid "Basics" #~ msgstr "Informações Básicas" #~ msgid "HF" #~ msgstr "HF" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "Parallel" #~ msgstr "Paralelo" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "normal" #~ msgstr "normal" #~ msgid "fine" #~ msgstr "fino" #~ msgid "ultrafine" #~ msgstr "ultra-fino" #~ msgid "Property:" #~ msgstr "Propriedade:" #~ msgid "Polarizability" #~ msgstr "Polarizabilidade:" #~ msgid "EFP Matches" #~ msgstr "Resultados para EFP" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "Configurações &Avançadas" #~ msgid "Stat Point" #~ msgstr "Ponto Inicial" #~ msgid "System" #~ msgstr "Sistema" #~ msgid "MO Guess" #~ msgstr "Estimar OM" #~ msgid "Misc" #~ msgstr "Misc" #~ msgid "Read" #~ msgstr "Ler" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Valência Duplo Zeta" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Valência Triplo Zeta" #~ msgid "SBKJA Valence" #~ msgstr "Valência SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "Valência Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Tipo ECP:" #~ msgid "Default" #~ msgstr "Padrão" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Max SCF Iterations:" #~ msgstr "Iterações Max SCF" #~ msgid "Gradient" #~ msgstr "Gradiente" #~ msgid "Trudge" #~ msgstr "Arrastar" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Extremo gradiente" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Transição radiativa mãe." #~ msgid "Spin Orbit" #~ msgstr "Órbita de Spin" #~ msgid "Finite Electric Field" #~ msgstr "Campo Elétrico Finito" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Otimização Global" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Otimização de FMO" #~ msgid "Raman Intensities" #~ msgstr "Intensidades Raman" #~ msgid "Make EFP" #~ msgstr "Construir EFP" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Nenhum" #~ msgid "Foster-Boys" #~ msgstr "Meninos adotivos" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "Localization Method:" #~ msgstr "Método de Localização:" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinantes" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Ocupação restrita à múltiplos espaços ativos." #~ msgid "CI Singles" #~ msgstr "CI Simples" #~ msgid "Full Second Order CI" #~ msgstr "Preencher Segunda Ordem de CI" #~ msgid "CC:" #~ msgstr "CC" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Linearizado CC" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC Simples ou Duplos" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Execução Normal" #~ msgid "Check" #~ msgstr "Verificar" #~ msgid "Debug" #~ msgstr "Depurar" #~ msgid "Run Type:" #~ msgstr "Tipo de Excução:" #~ msgid "Use MP2" #~ msgstr "Usar MP2" #~ msgid "Use DFT" #~ msgstr "Usar DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# Variaveis da Z-Matrix" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Ordem do Eixo Principal:" #~ msgid "Coordinate Type:" #~ msgstr "Tipo de Coordenada:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrant internos" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Usar Simetria Durante Cálculo" #~ msgid "Minutes" #~ msgstr "Minutos" #~ msgid "Hours" #~ msgstr "Horas" #~ msgid "Days" #~ msgstr "Dias" #~ msgid "Weeks" #~ msgstr "Semanas" #~ msgid "Years" #~ msgstr "Anos" #~ msgid "Millenia" #~ msgstr "Milênio" #~ msgid "MegaBytes" #~ msgstr "MegaBytes" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "Memory:" #~ msgstr "Memória:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Balanceamento de carga paralelo" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Próximo Valor" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "Skip" #~ msgstr "Pular" #~ msgid "Print the Initial Guess" #~ msgstr "Mostre a Estimativa Inicial" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Forçar uma verificação de tipo de execução" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "Copy text \t MELDF" #~ msgid "Solvate with Water" #~ msgstr "Solvatar com Água" #~ msgid "Direct SCF" #~ msgstr "Direcionar SCF" #~ msgid "Slater exchange" #~ msgstr "Troca de Slater" #~ msgid "Becke 1988 exchange" #~ msgstr "Troca Becke 1988" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: correlação Vosko-Wilk-Nusair (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: correlação Lee-Yang-Parr" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Troca Slater+ Correlação VWN" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: Troca BECKE + Correlação VWN5" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: Troca BECKE + Correlação LYP" #~ msgid "Gill 1996 exchange" #~ msgstr "Troca Gill 1996" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Troca Perdew-Burke-Ernzerhof (PBE)" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Correlação Lee-Yang-Parr (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + Correlação OP" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: Troca BECKE + Correlação OP" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: Troca GILL + Correlação VWN5" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: Troca GILL + Correlação LYP" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: Troca PBE + Correlação VWN6" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: Troca PBE + Correlação LYP" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: Troca PBE + Correlação OP" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: Troca HF e BECKE + Correlação LYP" #~ msgid "Duplicated on Each Node" #~ msgstr "Duplicado em Cada Nó" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distribuído por Todos os Nós" #~ msgid "words" #~ msgstr "palavras" #~ msgid "Use Localized Orbitals" #~ msgstr "Usar Orbitais Localizados" #~ msgid "# of Core Electrons:" #~ msgstr "# de Núcleos de Elétrons:" #~ msgid "Transformation Method" #~ msgstr "Método de Transformação" #~ msgid "Two Phase Bin Sort" #~ msgstr "Ordenação de duas fases" #~ msgid "Segmented Transformation" #~ msgstr "Transformação Segmentada" #~ msgid "Numeric" #~ msgstr "Numérica" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Inicial de Héssios" #~ msgid "Guess (+ define)" #~ msgstr "Hipótese (+ define)" #~ msgid "Read (from $HESS)" #~ msgstr "Ler (de $HESS)" #~ msgid "Stationary Point" #~ msgstr "Ponto Estacionário" #~ msgid "Initial:" #~ msgstr "Inicial:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Quadratic Approximation" #~ msgstr "Aproximação Quadrática" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Z-matrix" #~ msgstr "Matriz-Z" #~ msgid "Gaussian Input" #~ msgstr "Entrada Gaussiana" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Padrão" #~ msgid "MOLPRO Input" #~ msgstr "Entrada MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Quartet" #~ msgstr "Quarteto" #~ msgid "Quintet" #~ msgstr "Quinteto" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Fragment Shader:" #~ msgstr "Sombreador de fragmentos" #~ msgid "Display Type:" #~ msgstr "Modo de Exibição:" #~ msgid "Font:" #~ msgstr "Fonte:" #~ msgid "Change Font..." #~ msgstr "Mudar Fonte..." #~ msgid "New..." #~ msgstr "Novo..." #~ msgid "Rename..." #~ msgstr "Renomear..." #~ msgid "&Schemes:" #~ msgstr "E&squemas:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Largura:" #~ msgid "&Height" #~ msgstr "&Altura" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "pol" #~ msgid "&Save Image..." #~ msgstr "&Salvar Imagem..." #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Usar um valor otimizado para o tamanho da fonte em vez de valor " #~ "especificado (a conversão da tela para pontos de imagem não é boa!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Tamanho de Fonte Auto-ajustado" #~ msgid "&Y Axis Units:" #~ msgstr "Unidades do Eixo &Y:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Vibrações Moleculares" #~ msgid "Display force &vectors" #~ msgstr "Exibir &vetores de força" #~ msgid "Surface Type:" #~ msgstr "Tipo de Superfície:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Baixa" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Média" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Alta" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Muito Alta" #~ msgid "Advanced..." #~ msgstr "Avançado..." #~ msgid "&Length:" #~ msgstr "&Duração:" #~ msgid "Display visual cues" #~ msgstr "Mostrar pistas visuais" #~ msgid "Python Settings" #~ msgstr "Configurações do Python" #~ msgid "Z Matrix Editor" #~ msgstr "Editor de Matriz Z" avogadrolibs-1.100.0/i18n/ro.po000066400000000000000000010604321474375334400161100ustar00rootroot00000000000000# Translations for the Avogadro molecular builder. # Copyright (C) 2006-2018 The Avogadro Project # This file is distributed under the same license as the Avogadro package. # Irina Puscas , 2021. # Remus-Gabriel Chelu , 2023, 2024. # Weblate Translation Memory , 2024. msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2024-12-30 12:00+0000\n" "Last-Translator: Remus-Gabriel Chelu \n" "Language-Team: Romanian \n" "Language: ro\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=3; plural=n==1 ? 0 : (n==0 || (n%100 > 0 && n%100 < " "20)) ? 1 : 2;\n" "X-Generator: Weblate 5.10-dev\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Lucrare pe lotul nr. %L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Nu s-a specificat niciun mesaj." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "Ieșirea de script --print-options trebuie să fie un obiect JSON la nivel " "superior. Recepționat:\n" "%1" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "A fost returnat un avertisment ce nu este un șir de caractere." #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "Membrul „warnings” nu este o matrice." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Fișierul de referință „%1” nu există." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "Eroare la popularea fișierului %1: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Fișierul „%1” nu este bine format. Lipsesc membrii șirului „contents” sau " "„filePath”." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Intrare de fișier formată greșit: numele fișierului/conținutul lipsește sau " "nu conține șiruri de caractere:\n" "%1" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Intrare de fișier formată greșit la pozițial %1: Nu este un obiect." #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "Membrul „files” nu este o matrice." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "Lipsește membrul „files”." #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "Membrul „mainFile” nu se referă la o intrare din „files”." #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "Membrul „mainFile” trebuie să fie un șir de caractere." #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "Răspunsul trebuie să fie un obiect JSON la nivel superior." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Ieșirea scriptului:\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Eroare de analizare la poziția %L1: „%2”\n" "JSON brut:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Eroare la salvarea reprezentării moleculei în șir de caractere: Format de " "fișier nerecunoscut: %1" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Eroare la salvarea reprezentării moleculei în șir de caractere: %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Eroare la generarea obiectului cjson: Eroare de analizare la poziția %1: %2\n" "JSON brut:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Eroare a generatorului de obiecte cjson: JSON analizat nu este un obiect:\n" "%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "Generator de intrare (eroare)" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "Generator de intrare %1" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Continuă" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Închide" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Necunoscut" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "Următorul fișier a fost modificat:\n" "\n" "%1\n" "\n" "Doriți să suprascrieți modificările dvs. pentru a reflecta noua geometrie " "sau noile opțiuni de lucru?" msgstr[1] "" "Următoarele fișiere au fost modificate:\n" "\n" "%1\n" "\n" "Doriți să suprascrieți modificările dvs. pentru a reflecta noua geometrie " "sau noile opțiuni de lucru?" msgstr[2] "" "Următoarele fișiere au fost modificate:\n" "\n" "%1\n" "\n" "Doriți să suprascrieți modificările dvs. pentru a reflecta noua geometrie " "sau noile opțiuni de lucru?" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Suprascrieți fișierele de intrare modificate?" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "Au apărut probleme în timpul generării datelor de intrare:" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "Nu există fișiere de intrare de salvat!" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "Nu se poate conecta la «MoleQueue»" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Nu vă puteți conecta la serverul MoleQueue. Vă rugăm să vă asigurați că " "acesta rulează și să încercați din nou." #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "Trimiteți calculul %1" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "Lucrare eșuată" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "Lucrarea nu a fost finalizată cu succes." #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "Scriptul returnează avertismente:\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "Ascunde a&vertismentele" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "Afișează a&vertismentele" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "A apărut o eroare:" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "Selectați numele fișierului de ieșire" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" "Eroare internă: nu s-a putut găsi o aplicație de text cu numele de fișier " "„%1”" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Eroare de ieșire" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Nu s-a putut scrie fișierul „%1”." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Selectați directorul de ieșire" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Directorul nu există!" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Directorul nu poate fi citit!" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: Fișierul va fi suprascris." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: Fișierul nu este inscriptibil." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" "Fișierele de intrare nu pot fi scrise din cauza unei erori necunoscute." #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Fișierele de intrare nu pot fi scrise:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Fișierele de intrare nu pot fi scrise:\n" "\n" "%1\n" "\n" "Avertismente:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Avertisment:\n" "\n" "%1\n" "\n" "Doriți să continuați?" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Scrieți fișierele de intrare" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "Configurați lucrarea" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Se trimite lucrarea la MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Timpul de trimitere a lucrării a fost depășit" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro a depășit timpul de așteptare a unui răspuns de la MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Se așteaptă ca lucrarea %1 „%2” să se termine…" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "Nu mai așteptați" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "Se obțin informațiile despre lucrările finalizate…" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "Timpul de preluare a lucrării a fost depășit" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro a depășit timpul de așteptare a detaliilor privind lucrările " "finalizate de la MoleQueue." #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "Eroare la trimiterea lucrării" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "Lucrarea a fost respinsă de MoleQueue: %1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Niciun program selectat." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" "Vă rugăm să selectați programul țintă din lista „Coada de așteptare și " "programul”." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Clientul nu a reușit să trimită lucrarea către MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Eroare internă." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Nu se poate rezolva selectarea programului. Aceasta este o eroare." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Nici o moleculă definită în „BackgroundFileFormat”!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Niciun «Io::FileFormat» definit în „BackgroundFileFormat”!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Niciun nume de fișier definit în „BackgroundFileFormat”!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "Despărțire pe orizontală" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "Despărțire pe verticală" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Hidrogen" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Heliu" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Litiu" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Beril" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Carbon" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Nitrogen" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Oxigen" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Sodiu" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magneziu" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Aluminiu" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Siliciu" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Sulf" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Clor" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Potasiu" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Calciu" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Scandiu" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titan" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadiu" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Crom" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Fier" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Cobalt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nichel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Cupru" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Zinc" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Galiu" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germaniu" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsenic" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Seleniu" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Kripton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidiu" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Stronțiu" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Ytriu" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirconiu" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niobiu" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molibden" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Technețiu" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Ruteniu" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rodiu" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Paladiu" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Argint" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Cadmiu" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indiu" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Staniu" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Stibiu" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Telur" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Iod" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Cesiu" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Bariu" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantan" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Ceriu" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodim" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodim" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Promețiu" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samariu" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europiu" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadoliniu" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbiu" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Disprosiu" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmiu" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbiu" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Tuliu" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Yterbiu" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutețiu" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafniu" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Wolfram" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Rheniu" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmiu" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridiu" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platină" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Aur" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Mercur" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Taliu" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Plumb" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bismut" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Poloniu" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astatin" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Franciu" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radiu" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Actiniu" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Thoriu" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protactiniu" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uraniu" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptuniu" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutoniu" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Americiu" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Curiu" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkeliu" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Californiu" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einsteiniu" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermiu" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendeleviu" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobeliu" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Lawrenciu" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherfordiu" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubniu" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgiu" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bohriu" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassiu" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitneriu" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtiu" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Roentgeniu" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Coperniciu" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihoniu" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Fleroviu" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moscoviu" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermoriu" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tennessin" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "Răsfoire" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "Selectați fișierul:" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "Selectați fișierul executabil:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" "Nu s-a putut găsi un cititor de fișiere adecvat pentru fișierul selectat." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "Extensia fișierului lipsește, deci formatul nu poate fi determinat.Doriți să " "o adăugați?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" "Nu s-a putut găsi un scriitor de fișiere adecvat pentru formatul selectat." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "gestionari" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "gestiona" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "cititori" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "citi" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "scriitori" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "scrie" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" "Multipli %1 găsiți care pot %2 acest format. Care ar trebui să fie folosit?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "Toate fișierele" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "Toate formatele acceptate" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" "Eroare la citirea reprezentării moleculei: Format de fișier nerecunoscut: %1" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "Mesaj %1" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Eroare la scrierea reprezentării moleculei în șir de caractere: Format de " "fișier nerecunoscut: %1" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Eroare la scrierea reprezentării moleculei în șir de caractere: %1" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "„userOptions” lipsește." #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "Opțiunea „%1” nu se referă la un obiect." #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "„type” nu este un șir pentru opțiunea „%1”." #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "Nu s-a putut găsi opțiunea „%1”." #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "Fila %1" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Titlu" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "Nume de bază pentru fișier" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "Nuclee procesor" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "Tipul de calcul" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "Teorie" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Bază" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "Încărcare" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "Multiplicitate" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "Eroare: valoarea trebuie să fie obiect pentru cheia „%1”." #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Tip de opțiune nerecunoscut „%1” pentru opțiunea „%2”." #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" "Eroare la stabilirea valorii implicite pentru opțiunea „%1”. Tip de " "aplicație greșit." #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" "Eroare la stabilirea valorii implicite pentru opțiunea „%1”. Valoare " "implicită incorectă:" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Eroare la stabilirea valorii implicite pentru opțiunea „%1”. Nu s-a putut " "găsi un index de intrare combinat valid pentru valoarea:" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Aplicație negestionată în collectOptions pentru opțiunea „%1”." #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "[fără molecule]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "Stratul %1" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Bilă și bastonaș" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Panglică de proteine" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Contacte apropiate" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Rețea cristalină" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Moment dipolar" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Forța" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "Etichete" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Bastonaș" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "Ochiuri de rețea" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "Necovalent" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Elemente de simetrie" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Cadru de sârmă" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "Fără titlu" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "Creează o nouă vizualizare" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Tabelul periodic" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Eroare la rularea scriptului „%1 %2”: Timpul de așteptare pentru pornirea " "(%3) a expirat." #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Eroare la rularea scriptului „%1 %2”: nu s-a reușit scrierea la intrarea " "standard (lung.=%3, s-au scris %4 octeți, eroare QProcess: %5)." #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Eroare la rularea scriptului „%1 %2”: A expirat timpul de așteptare pentru " "finalizare (%3)." #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Eroare în execuția scriptului „%1 %2”: Stare de ieșire anormală %3 (%4: %5)\n" "\n" "Ieșire:\n" "%6" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "Avertisment „%1”" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "Scriptul a eșuat la pornire." #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "Scriptul s-a blocat." #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "Scriptul a depășit timpul de așteptare." #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "Eroare la citire." #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "Eroare la scriere." #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "Eroare necunoscută." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Modificare straturi" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Eliminare strat" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Eliminare informații despre strat" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Adăugare strat" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Adăugare informații despre strat" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "Schimbare strat" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Adăugare atom" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Eliminare atom" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "Curățare atomi" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Ajustează hidrogenii" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Schimbare elemente" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Schimbare element" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "Modificarea hibridizării atomului" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "Modificarea sarcinii formale a atomului" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "Schimbare culoare atom" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "Modificarea stratului atomului" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Adăugare legătură" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "Legătură eliminată" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "Eliminare legături" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "Stabilește ordinea legăturilor" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Schimbă ordinea legăturilor" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "Actualizare legături" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "Actualizare legătură" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "Adaugă celulă unitate…" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "Elimină celula unitară" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "Editează celula unitară" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "Grupează atomii în celulă" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "Scalați volumul celulei" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "Construiți o super-celulă" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "Reducere Niggli" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "Rotiți la orientarea standard" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "Reducere la celulă primitivă" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "Convenționalizare celulă" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "Simetrizare celulă" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Umple celula unitară" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "Reduce celula la unitatea asimetrică" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "Schimbă poziția atomilor" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "Schimbă poziția atomului" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "Modifică eticheta atomului" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "Modifică eticheta legăturii" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "Modifică selecția" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Modifică molecula" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "Configurări" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "Nu se poate încărca scriptul %1" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "Se verifică dacă există scripturi %1 în ruta %2" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "Bloc HTML 3DMol." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Fişier" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "&Exportare" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "Schimbă elementele…" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Construire" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "Alchimie" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "Schimbă elementele din atomi." #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Aliniere" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" "Aliniere molecule\n" "\n" "Butonul stâng al mouse-ului: \tSelectează până la doi atomi.\n" "\tPrimul atom este centrat la origine.\n" "\tAl doilea atom este aliniat la axa selectată.\n" "Butonul drept al mouse-ului: \tRestabilește alinierea.\n" "Dublu clic: \tCentrează atomul la origine." #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Axa:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Aliniere la origine" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "Aliniere la axă" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "Centrați atomul la origine." #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "Rotește molecula pentru a alinia atomul la axa specificată." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Instrument de aliniere" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Aliniați moleculele pe o axă carteziană" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "Rulați APBS…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Deschide fișierul de ieșire…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "&Intrare" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "Deschide fișierul de ieșire" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "Fișier OpenDX (*.dx)" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "Eroare de In/Ieș" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "Eroare la citirea fișierului de structură (%1)." #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "Eroare în OpenDX" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Eroare la citirea fișierului OpenDX: %1" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "Eroare la citirea fișierului OpenDX: Nu s-a găsit niciun cub" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Interacționează cu utilitățile APBS." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Deschide fișier PDB" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "Fișiere PDB (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Deschide fișier PQR" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "Fișiere PQR (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Eroare" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Eroare la rularea APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Vă rugăm să specificați fișierul PDB" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Salvează fișierul de intrare APBS" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "Intrare APBS (*.in)" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "Succes" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Fișier de intrare scris la „%1”" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "După culoare personalizată…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "După indicele atomic…" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "După distanță…" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "După element" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "După lanț" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "După sarcina parțială…" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "După structura secundară" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "După aminoacid" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "După schema de culori" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "Heat" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "Hot" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "Gri" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "Spectral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "Coolwarm" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "Balance" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Blue-DarkRed" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "Aplicați scheme de culori pentru atomi și reziduuri." #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Vizualizare" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "Atomi colorați" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "Reziduuri colorate" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "Selectați schema de culori" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "Schema de culori:" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "Aplicare culori" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Scara atomică" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Scara legăturilor" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "Opacitate" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Afișează legături multiple" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Afișează hidrogenii" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Reprezintă atomii ca sfere și legăturile ca cilindri." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Manipulare centrată pe legături" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Instrument de manipulare centrat pe legături (%1)\n" "\n" "Butonul stâng al mouse-ului: \tFaceți clic și trageți pentru a roti " "vizualizarea.\n" "Butonul din mijloc al mouse-ului: \tFaceți clic și trageți pentru a mări sau " "micșora vizualizarea.\n" "Butonul drept al mouse-ului: \tFaceți clic și trageți pentru a muta " "vizualizarea.\n" "Faceți dublu clic: \tReinițializează vizualizarea.\n" "\n" "Faceți clic cu butonul stâng și trageți pe o legătură pentru a seta planul " "de manipulare:\n" "Faceți clic cu butonul stâng și trageți unul dintre atomii din legătură " "pentru a modifica unghiul\n" "Faceți clic cu butonul din dreapta și trageți unul dintre atomii din " "legătură pentru a modifica lungimea" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "%L1°" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "%L1 Å" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Instrument de manipulare centrat pe legături." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Instrument utilizat pentru editarea geometriei moleculare prin modificarea " "lungimilor și unghiurilor legăturilor." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Legare atomi" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "Percepe ordinea legăturilor" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Eliminare legături" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Configurare legături…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "Legarea atomilor selectați" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "Legătură" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "Elimină legăturile de la toți atomii sau de la atomii selectați." #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "Creează legături între toți atomii sau între atomi selectați." #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "Percepe ordinea legăturilor." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Legarea" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Efectuează operațiile de legare." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "Scheletul" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Trasare" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Tub" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Panglică" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Animație simplă" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Animație" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Coardă" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Afișează panglici/animații cu biomolecule." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Adaugă centroid" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Adaugă centru de masă" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Adaugă perpendiculară" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Centroid" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Adaugă centroizi și centre de masă." #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "Distanța maximă:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Lățimea liniei:" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Reprezintă contactele strânse dintre atomi." #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "Contact" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "Punte salină" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "Repulsiv" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "Editează paleta de opacitate a culorilor…" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Extensii" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "Paleta de opacitate a culorilor" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" "Editează paletele de opacitate a culorilor, în principal pentru " "reprezentarea volumelor." #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "Scripturi" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Eroare la citirea fișierului de ieșire „%1”:\n" "%2" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "Se procesează %1" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "Stabilește ruta către interpretul python:" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Selectați interpretul python ce trebuie utilizat pentru a rula scripturi " "externe.\n" "Avogadro trebuie repornit pentru ca orice modificare să aibă efect." #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "Scripturi de comenzi" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "Rulează scripturi de comenzi externe" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "Configurare Python…" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "Instalează Python" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Python este utilizat pentru multe caracteristici Avogadro. Doriți să " "descărcați Python?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "Configurare Python" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Configurează mediile Python." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "Altul…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Editor de &coordonate atomice…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Editor de coordonate" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Editează textul coordonatelor atomice." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Suprascrieți modificările?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "Textul documentului a fost modificat. Doriți să renunțați la modificările " "dvs. și să reveniți la molecula curentă?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Prea puține intrări pe linie." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Nume de element nevalid." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Numele elementului." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Simbol de element nevalid." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Simbolul elementului." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "Etichetă atom nevalidă." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Index atomic nevalid." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Indicele atomic." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Număr atomic nevalid." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Numărul atomic." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Coordonată nevalidă." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "Coordonata X." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Coordonata Y." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Coordonata Z." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "Coordonata de rețea „a”." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "Coordonata de rețea „b”." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "Coordonata de rețea „c”." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Eroare la aplicarea geometriei" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Nu s-a putut analiza specificația geometriei. Corectați erorile evidențiate " "și încercați din nou.\n" "\n" "Indicație: Mențineți cursorul mouse-ului pe textul în roșu pentru o " "descriere a erorii." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Editarea coordonatelor atomice" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Personalizat" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "Formatul XYZ (simboluri)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "Formatul XYZ (nume)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "Formatul XYZ (numere atomice)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Coordonate de rețea (simboluri)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Coordonate de rețea (nume)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Coordonate de rețea (numere atomice)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "Formatul GAMESS (simboluri)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "Formatul GAMESS (nume)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Formatul Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "Copiază" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "InChI" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "Taie" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "Șterge" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "Li&pește" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "&Editare" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "Copiază ca" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "Eroare la tăierea moleculei" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "Eroare la generarea datelor din clipboard." #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Format de ieșire: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Eroare cititor:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "Eroare la lipirea moleculei" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Nu se poate lipi molecula: Clipboard-ul este gol!" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "Eroare la citirea datelor din clipboard." #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Format detectat: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Copiere și lipire" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Interacționați cu clipboard-ul." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "Intrare CP2K" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "Generează date de intrare pentru CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energie" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "Energie și forțe" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "Dinamica moleculară" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "Optimizarea geometriei" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "Metode de structură electronică (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "Mecanica moleculară" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Clasic cuantic hibrid (Nu este încă acceptat)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "NICIUNUL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "ATOMIC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "NUCLEU" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "DENSITĂȚI" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "REINIȚIERE_ISTORIC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "ALEATORIU" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "REINIȚIERE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "SPARSE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "Gradienți conjugați" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "Descinderea cea mai abruptă" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "Fișierul de intrare a fost modificat. Doriți să suprascrieți modificările " "dvs. pentru a reflecta noua geometrie sau noile opțiuni de lucru?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "Suprascrieți fișierul de intrare modificat?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "Salvează fișierul de intrare CP2K" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "Trimite calculul CP2K" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Importă cristal din clipboard…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Treceți de la o celulă unitară la alta" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Editare celulă unitară…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "G&rupează atomii în celula unitară" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Rotire în orientarea standard" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Scalează &volumul celulei…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "Construire &supercelulă…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Reduce celula (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "&Cristal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Elimină celula &unitară" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Adaugă celulă &unitară" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "Importă cristal din clipboard" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "Grupează atomii în interiorul celulei unitare." #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "Rotește celula unitară la orientarea standard." #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "Reduce cristalul în baza algoritmului Niggli" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "Celula unitară este deja redusă." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Cristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Instrumente specifice pentru editarea/analizarea cristalelor." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "Culoare axe:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Culoare linie:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Redarea limitelor celulei unitare." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Nu se poate analiza textul" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Nu s-a reușit citirea datelor cu formatul furnizat." #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "Nu este prezentă nicio celulă unitară." #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "Reasignarea elementelor &personalizate…" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "Manipulează tipurile de elemente personalizate în molecula curentă." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Elemente personalizate" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "Redă momentul dipolar al moleculei." #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Desenare" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" "Instrument de desen (%1)\n" "\n" "Butonul stâng al mouse-ului: \tFaceți clic și trageți pentru a crea atomi și " "legături\n" "Butonul drept al mouse-ului: \tȘterge atomul" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Desenează atom" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "Schimbă tipul legăturii" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "Elimină legătura" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Distanța:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "%1 %L2" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Instrument de editare" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "Automat" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Simplu" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Dublu" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Triplu" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "&Import" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "Obține PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "Nu se poate citi molecula PDB: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "Codul PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Structura chimică de descărcat." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Cod PDB nevalid" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "Codul PDB trebuie să aibă exact 4 caractere." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "Primul caracter al codului PDB trebuie să fie 1-9." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "Interogare pentru %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Descărcarea din rețea a eșuat" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "" "Depășire a timpului de așteptare pentru conectarea la rețea sau altă eroare." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Molecula specificată nu poate fi găsită: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Preluare din PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" "Descarcă modele PDB din banca de date de proteine („Protein Data Bank”: PDB)" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "Selectare focalizare" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "Eliminare focalizare" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Focalizare" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Focalizează vizualizarea pe anumite caracteristici." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Realizează vizualizările câmpului de forțe pentru atomii moleculei." #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "Optimizează geometria" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "Forțe" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "Configurează…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "Îngheață atomii selectați" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "Dezgheață atomii selectați" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "&Calculează" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "Nu au fost furnizați atomi pentru optimizare" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "Energie: %L1" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 Energie = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 Normă de forță = %L2" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "Optimizarea câmpului de forță" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "Minimizarea câmpului de forță, inclusiv scripturi" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Autodetectare (%1)" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "Câmp de forță universal (UFF)" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "Câmp de forță AMBER generalizat" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "Câmpul de forță moleculară Merck 94" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "Eroare la preluarea metadatelor pentru scriptul de energie: %1" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "Eroare la analizarea metadatelor pentru scriptul de energie: %1" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" "Eroare la analizarea metadatelor pentru scriptul de energie: %1\n" "Rezultatul nu este un obiect JSON.\n" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "Intrare GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Generează intrarea pentru GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "Punct unic" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Geometrie de echilibru" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Stare tranziție" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Frecvențe" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Potențialul nucleului" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gaz" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Apă" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Dublet" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Dication" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Cation" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neutru" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "Salvează fișierul de intrare GAMESS" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "Trimite calculul GAMESS" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Ajustează hidrogenii" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Adaugă hidrogeni" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Elimină hidrogenii e&xtra" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "Elimină toți hid&rogenii" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "Adaugă/elimină hidrogenii din molecula curentă." #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "&Hidrogeni" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrogeni" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "&Căutare PQR…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Import din PQR" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Descarcă o moleculă din PQR." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "ADN/ARN…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Inserează" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "Inserează DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "Uracil" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "Timină" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "Inserare moleculă…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "Se generează molecula în 3D…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "Inserare ADN" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "Inserare fragmente ADN/ARN prin intermediul unei casete de dialog." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "Moleculă…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Cristal…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "Eroare la citirea fișierului (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "Importă cristal" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Inserare fragment" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Inserare fragment" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Inserează fragmente moleculare pentru a construi molecule mari." #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "Culoare:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "Distanța de la centru:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Nimic" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "Index" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "ID unic" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "Element și număr" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "Element și ID" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "Sarcină parțială" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "Etichetă atom:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "Lungime" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "Etichetă legătură:" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "Nume" #: qtplugins/label/label.cpp:236 msgid " & " msgstr " și " #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "Etichetă reziduu:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Afișează etichetele în stilul de bilă și bastonaș." #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "Editare etichete" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" "Instrument de etichetare a atomilor \t(%1)\n" "\n" "Butonul stâng al mouse-ului: \tFaceți clic pe atomi pentru a adăuga etichete " "personalizate" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "Creează etichetă" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "Instrument de editare etichete" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "Intrare LAMMPS" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Generează intrare pentru LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Doriți să actualizați textul de previzualizare, pierzând toate modificările " "efectuate în panoul de previzualizare a platformei de intrare Lammps?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Opacitate:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "Reprezintă atomii sub formă de bastonașe." #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "Nu s-au găsit descriptori!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "Nu s-au găsit cititori de format de linie!" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "Nu se poate încărca cititorul de format solicitat." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "Intrare de format de linie" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" "Încarcă descriptori moleculari pe o singură linie prin intermediul unei " "casete de dialog." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Manipulare" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" "Instrument de manipulare (%1)\n" "\n" "Butonul stâng al mouse-ului: \tFaceți clic și trageți pentru a muta atomii\n" "Butonul drept al mouse-ului: \tFaceți clic și trageți pentru a roti atomii.\n" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Instrument de manipulare" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Măsurare" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" "Instrument de măsurare \t(%1)\n" "\n" "Butonul stâng al mouse-ului: \tSelectați până la patru atomi.\n" "\tDistanțele sunt măsurate între 1-2 și 2-3\n" "\tUnghiul este măsurat între 1-3 folosind 2 ca punct comun\n" "\tDiedrul este măsurat între 1-2-3-4\n" "Butonul drept al mouse-ului: \tReinițializează măsurătorile." #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Diedru:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Unghi:" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "Unghiuri:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Instrument de măsurare" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "Reprezentarea ochiurilor de rețea poligonale." #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(în așteptare)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "moleculă necunoscută" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "Proprietate" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "Numele moleculei" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "Masa moleculară (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "Formula chimică" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "Numărul de atomi" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "Numărul de legături" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "Seturi de coordonate" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "Numărul de reziduuri" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "Număr de lanțuri" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "Sarcina netă" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "Multiplicitatea spinului net" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "Moment dipolar (Debye)" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "Energia HOMO (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "Energia LUMO (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "Energia SOMO (eV)" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "Energia totală (Hartree)" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "Energia punctului zero (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "Entalpia (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "Entropia (kcal/mol-K)" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "Energia liberă Gibbs (kcal/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "Grup de puncte" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "&Molecular…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "Vizualizați proprietățile generale ale unei molecule." #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "&Analizare" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Proprietăți" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Proprietăți moleculă" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Proprietățile moleculei" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "Export în format CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "Fișiere CSV (*.csv);;Toate fișierele (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "Nu s-a putut deschide fișierul pentru scriere." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "Eroare la scrierea în fișier." #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "Exportare…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigare" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" "Instrument de navigare (%1)\n" "\n" "Butonul stâng al mouse-ului: \tFaceți clic și trageți pentru a roti " "vizualizarea.\n" "Butonul din mijloc al mouse-ului: \tFaceți clic și trageți pentru a mări sau " "micșora imaginea.\n" "Butonul drept al mouse-ului: \tFaceți clic și trageți pentru a muta " "vizualizarea.\n" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "Rotește scena de-a lungul axelor x, y sau z." #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "Mărește scena." #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "Convertește scena." #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "Inversează direcția de mărire/micșorare la derulare" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" "Implicit:\t Derulați în jos pentru a micșora, derulați în sus pentru a mări\n" "Inversată:\t Derulați în sus pentru a micșora, derulați în jos pentru a mări" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Instrument de navigare" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Denumirea chimică" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Baze de date din rețea" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" "Interacționează cu baze de date din rețea, structuri de interogare etc." #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "Toleranța unghiului:" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Afișează câteva interacțiuni non-covalente." #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "Halogen" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "Calcogen" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "Configurarea câmpului de forță…" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "Căutare conformer…" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "Percepe legăturile" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "Adaugă hidrogeni pentru pH…" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "Elimină hidrogeni" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1 nu a fost găsit! Se dezactivează acțiunile modulului Open Babel." #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "Formatele de fișiere Open Babel nu sunt gata pentru a fi adăugate." #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "Se încarcă molecula de la Open Babel…" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "A apărut o eroare internă: OpenBabel::readMolecule a fost apelată, dar nu " "este disponibilă nicio ieșire obabel pentru analizare!" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "A apărut o eroare în timpul rulării Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "Eroare la analizarea ieșirii openbabel." #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "A apărut o eroare în timpul recuperării listei câmpurilor de forță " "acceptate. (folosind „%1”)." #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Moleculă nevalidă. Nu se poate optimiza geometria." #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "Nu se poate optimiza geometria cu Open Babel." #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "Se optimizează geometria (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "Se generează…" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "A apărut o eroare internă în timpul generării unei reprezentări Open Babel a " "moleculei curente." #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Se lansează %1…" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Pasul %1 din %2\n" "Energia curentă: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "Se actualizează molecula…" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "Eroare la interpretarea ieșirii Open Babel." #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Numărul de atomi din rezultatul obabel (%1) nu corespunde numărului de atomi " "din molecula originală (%2)." #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "Moleculă nevalidă. Nu se pot genera conformeri." #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "Nu se pot genera conformeri cu Open Babel." #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "Se generează conformeri (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "Generează conformeri" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "Nu se poate deschide fișierul cu Open Babel." #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Moleculă nevalidă: Nu se pot percepe legăturile." #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "Perceperea legăturilor (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "Se generează reprezentarea XYZ…" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "Eroare la generarea șirului XYZ." #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Se convertește XYZ la Open Babel cu %1…" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "Se actualizează molecula din Open Babel…" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "Nu se pot adăuga hidrogeni cu Open Babel." #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "Se adaugă hidrogeni (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "Se generează intrarea Open Babel…" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "Eroare la generarea intrării Open Babel." #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "Se execută %1…" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "Adaugă hidrogeni pentru pH" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "Se generează intrarea obabel…" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "Nu se pot elimina hidrogeni cu Open Babel." #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "Se elimină hidrogenii (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "Eroare la generarea datelor Open Babel." #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "Se citește ieșirea obabel…" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Open Babel este deja în curs de execuție. Așteptați finalizarea celeilalte " "operații și încercați din nou." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Interacționarea cu instrumentele OpenBabel." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "Scriptul &OpenMM…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "Intrare OpenMM" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Generează date de intrare pentru OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Doriți să actualizați textul de previzualizare, pierzând orice modificări " "făcute în panoul de previzualizare al platformei de intrare OpenMM?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "Adevărat" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "Axe de referință" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "Suprapunerea axelor de referință" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "Afișează axele de referință în colțul ecranului." #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "Dispozitiv redare" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "Instrument de animație \t(%1)" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "Redare" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Stop" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "Frecvența cadrelor:" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "Cadrul:" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " din %0" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "Legături dinamice?" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "Înregistrare videoclip…" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "Videoclip (*.mp4)" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "Exportă ca imagine bitmap" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Videoclip (*.mp4);;Videoclip (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "Avertisment privind suportul pentru FPS GIF" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" "Formatul de fișier GIF nu acceptă frecvențe ale cadrelor mai mari de 100 FPS." #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "Videoclip (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "Eroare: nu se poate adăuga un cadru la video." #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "Nu se poate salva fișierul %1." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Instrument de redare" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Redare traiectorii" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "Trasează funcția de distribuție a perechilor (PDF)…" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "Eșec la generarea modelului PDF" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "Mesaj de eroare: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "Trasează PDF" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Generează și trasează o curbă a funcției de distribuție a perechilor." #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "Trasează curba RMSD…" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "TraseazăRmsd" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "Generează și trasează o curbă RMSD." #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "Trasează modelul XRD teoretic…" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "Eșec la generarea modelului XRD" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "Conversia moleculei în formatul CIF a eșuat." #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Datele citite din genXrdPattern par a fi corupte!" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "Eroare: nu a putut fi găsit executabilul genXrdPattern!" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "Eroare: " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "TraseazăXrd" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Generează și trasează un model XRD teoretic utilizând ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "Actualizare" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "Versiunea" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "Descriere" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "Eroare la descărcarea datelor modulului." #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "Eroare la analizarea datelor modulului." #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "Acest modul necesită instalarea anumitor pachete.\n" "Doriți să le instalați?" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "Întotdeauna" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "Niciodată" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "Descărcarea de la %1 a eșuat: cod de stare %2, %3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Se descarcă %1 în %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Se extrage %1 în %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "S-au finalizat %1 fișiere\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "Extragere efectuată cu succes\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "Eroare în timp ce se extrăgea: %1" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "Descarcă module…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Descarcă module" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Descarcă module din depozitele aflate în GitHub." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "Prelucrare PLY…" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "Salvează fișierul" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Fișier text (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "Prelucrează scena folosind PLY." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "Prelucrare POV-Ray…" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Fișier text (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Prelucrează scena folosind POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Valență" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "Sarcina formală" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "Sarcina parțială %1" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "Etichetă" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "Culoare" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Tip" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "Atom inițial" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "Atom final" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "Ordinea legăturilor" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Lungime (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "Lanț" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "Structura secundară" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "Eterogen" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "Atom 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Vertex" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "Atom 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "Unghi (°)" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "Atom 2" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "Atom 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "Energie (kcal/mol)" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "Ajustează fragmentul" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "Elice π" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "Îndoire" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "Elice α" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "Foaie β" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Elice 3-10" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "Punte β" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "Întoarcere" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "Spirală" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Proprietățile atomului…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Proprietățile legăturii…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Proprietățile unghiului…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Proprietățile de torsiune…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Proprietățile reziduului…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "Proprietăți conformer…" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" "Tabele pentru afișarea și editarea proprietăților atomului, legăturii, " "unghiului și torsiunii." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "Tabele de proprietăți" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Proprietățile atomului" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Proprietățile legăturii" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Proprietățile unghiului" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Proprietățile de torsiune" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Proprietăți conformer" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "Proprietățile reziduului" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Afișează primitivele folosind proprietățile QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Grafic molecular…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "Grafic molecular cu perechi solitare…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "Sarcina atomică…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Deschide fișier WFN" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Fișiere WFN (*.wfn);;Toate fișierele (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Extensie QTAIM" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "Intrare cuantică" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "Generează date de intrare pentru codurile cuantice." #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "Centrare" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "Aliniază vizualizarea cu axele" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "Aliniază vizualizarea cu axele." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Reinițializează vizualizarea" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Manipulează camera de vizualizare." #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "Script de încărcare a modelelor" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "Încarcă modele electrostatice din scripturi externe." #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "Formate de fișiere script" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "Încarcă cititori/scriitori de fișiere din scripturi externe." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Selectează tot" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Nu selectează nimic" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Inversează selecția" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Selectare după element…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Selectare după indicele atomic…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Selectare după reziduu…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "Selectare atomi din scheletul de bază…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "Selectare atomi din lanțul lateral…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "Selectare apă" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "Mărește selecția" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "Micșorează selecția" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "Creează un strat nou din selecție" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Modifică selecțiile" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Selectați" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Selectare element" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "Selectare schelet" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "Selectare lanț lateral" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Selectare atomi după indice" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Atomi pentru selecție:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Selectare atom" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Selectare atomi după reziduu" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Reziduuri pentru selecție:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "Selectare reziduu" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "Selectează" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Selecție" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" "Instrument de selecție \t(%1)\n" "\n" "Butonul stâng al mouse-ului: \tFaceți clic pentru a selecta atomi, reziduuri " "sau fragmente individuale\n" "\tTrageți pentru a selecta un interval de atomi\n" "Butonul drept al mouse-ului: \tFaceți clic în afara moleculei pentru a " "șterge selecția\n" "Utilizați Ctrl pentru a activa/dezactiva selecția și Shift pentru a adăuga " "la selecție.\n" "Dublu clic: \tSelectează un fragment întreg." #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "Colorează atomii" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Instrument de selecție" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "Strat nou" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "Detectează grupul spațial…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "Simetrizare" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "Umple celula unitară…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "Reducere la o unitate asimetrică" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "Stabilește toleranța…" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "Grupul spațial" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "Umple atomii simetrici pe baza grupului spațial al cristalului." #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "Detectează grupul spațial" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "Grupul spațial este deja configurat la: %1.\n" "Doriți să îl suprascrieți?" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "Eșec" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Detectarea grupului spațial a eșuat.\n" "Doriți să încercați din nou cu o toleranță diferită?" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "Reducere primitivă" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "Toleranța este stabilită în prezent la: %1.\n" "Continuați cu această toleranță?" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Reducerea primitivei a eșuat.\n" "Vă rugăm să verificați cristalul și să încercați din nou cu o toleranță " "diferită." #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Stabilirea unei celule convenționale a eșuat.\n" "Vă rugăm să verificați cristalul și să încercați din nou cu o toleranță " "diferită." #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Simetrizarea a eșuat.\n" "Vă rugăm să verificați cristalul și să încercați din nou cu o toleranță " "diferită." #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "Selectați toleranța în Å:" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "Internațional" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "Selectează grupul spațial" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "Grup spațial" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "Caracteristici de grup spațial pentru cristale." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "Trasează spectre…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "Spectru" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "Afișează diagramele spectrelor." #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "Infraroșu" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "RMN" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "Electronic" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "Dicroism circular" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "Densitatea stărilor" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Selectează culoarea de fundal" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Selectează culoarea de prim-plan" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "Selectează culoarea spectrului calculat" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "Selectează culoarea spectrului importat" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "Lungimea de undă (nm)" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "Spectre vibraționale" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "Numere de undă (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "Transmisie" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "Spectre Raman" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "Intensitate" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "Spectre RMN" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "Deplasare chimică (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "Spectre electronice" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Energia (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "Spectre de dicroism circular" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "Densitate" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "Orbitale moleculare…" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "Fereastra orbitală" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "Afișează listele orbitale." #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Simetrie" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Stare" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO (orbitalul molecular ocupat cu cea mai mare energie)" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO (orbitalul molecular neocupat cu cea mai mică energie)" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "Orbitale moleculare" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "Accesibilă solventului" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "Exclusă solventului" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Orbital molecular" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Densitatea electronică" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "Densitatea de spin" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "OM %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "Din fișier" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "Creează suprafețe…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "Afișează suprafața van der Waals." #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "Afișează suprafața moleculară van der Waals." #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "Afișează suprafața moleculară accesibilă solventului." #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "Afișează suprafața moleculară exclusă solventului." #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "Afișează un orbital molecular." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "Afișează densitatea electronică." #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "Afișează densitatea spinului." #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "Afișează un cub furnizat cu fișierul." #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "Se calculează densitatea electronică" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "Se calculează densitatea de spin" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Se calculează orbitalul molecular %L1" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "Videoclip AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "Exportare videoclip" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Videoclip MP4 (*.mp4);; Videoclip AVI (*.avi);; GIF (*.gif)" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Suprafețe" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Citește și redă suprafețele." #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Redă scena într-un fișier SVG." #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "Clasa" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "Simetrie…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Oferă funcționalitatea de simetrie." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Redarea elementelor de simetrie." #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "Grup %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "Șablon" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" "Instrument de șablon (%1)\n" "\n" "Introduceți fragmente, inclusiv centre metalice.\n" "Selectați un element și o geometrie de coordonare, apoi faceți clic pentru a " "introduce un fragment.\n" "\n" "Selectați un ligand sau un grup funcțional și faceți clic pe un atom de " "hidrogen pentru a-l atașa." #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "Clipboard" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "Inserare șablon" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "Inserare ligand" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "Instrument de șablon" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Afișare simplă a sferelor VdW." #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "Moduri vibraționale…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "Afișează dialogul «Moduri vibraționale»." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Stabilește modul vibrațional." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "Stabilește amplitudinea vibrației." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "Pornește animația vibrațională." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "Oprește animația vibrațională." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "Vibrații" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "Afișează modurile vibraționale." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "Redare VRML…" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Fișier text (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Redă scena cu VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Redă molecula ca o structură de sârmă." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "Calculează structura benzii…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "Nu se poate calcula structura benzii: nu există celula unitară!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "Executarea Yaehmop a eșuat cu următoarea eroare:\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "Eșec la citirea structurii de bandă de la Yaehmop!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "Un singur punct k special a fost găsit în ieșirea Yaehmop! Sunt necesare " "două sau mai multe!" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "Banda %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "Nivelul Fermi" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "Nu se poate găsi Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "Eroare: %1 a eșuat la pornire" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "Intrare Yaehmop" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Efectuează calcule Hückel extinse cu yaehmop." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dialog" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Formular" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Configurări de calcul" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "Text de substituție…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Restabilire" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "Depanare script…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "Trimite calculul…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Salvează intrarea…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Coada de așteptare și programul:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "Reîmprospătează" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" "

      Numărul de nuclee de procesor care urmează să fie " "rezervate pentru această sarcină.

      " #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Nuclee procesor:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" "

      Ștergeți fișierele de lucru de la distanță la " "finalizarea lucrării. Rezultatele vor fi în continuare copiate mai întâi în " "memoria cache locală MoleQueue.

      " #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Ștergeți fișierele de la distanță când ați terminat:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" "

      Bifați pentru a împiedica afișarea implicită a acestei " "sarcini în interfața cu utilizatorul a MoleQueue.

      " #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Ascundeți lucrarea din MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" "

      Afișează o notificare de sistem atunci când se " "modifică starea lucrării.

      " #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Afișează notificări despre progres:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Deschide rezultatul de la ieșire când a terminat:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Redenumire elemente" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "Inserare fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filtru:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Tastați un nume sau o parte a unui nume pentru a afișa numai fișierele care " "corespund." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Inserare" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "Fragment de cod HTML 3DMol" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Copiază în clipboard" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Fișier de intrare structură" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Generează date de intrare din PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "Fișier PDB:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Câmp de forță:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Rulează PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Încarcă fișierul PQR existent" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "Fișier PQR:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "Fișier de intrare APBS" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Salvează fișierul de intrare" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Rulați APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Succes!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Încarcă fișierul de structură" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Încarcă fișierul de cub" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "Sarcini parțiale" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "Model sarcină:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Toleranța distanței:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Distanța minimă:" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "Redarea volumului" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "Cub" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "Activează redarea volumului" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "Activează redarea suprafeței" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "Isovaloare" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "Există doar mediul conda „de bază”.\n" "Doriți să creați un mediu nou pentru Avogadro?\n" "Aceasta va face o copie a mediului dvs. de bază.\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "Nume mediu:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Selectați versiunea Python utilizată pentru rularea scripturilor.\n" "Avogadro trebuie repornit pentru ca orice modificare să aibă efect." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "Mediu:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Editor de coordonate" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Predefinit:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Unitatea de distanță:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Angstrom" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" "

      Specificarea formatului. Fiecare caracter indică o " "valoare de scris pentru fiecare atom:

      # - Indicele atomic (1, 2, ..., numAtomi)
      Z - Numărul atomic (de exemplu. „6” pentru carbon)
      G - Numărul atomic în stilul " "GAMESS (de exemplu, „6.0” pentru carbon)
      N - Numele elementului (de exemplu, „Carbon”)
      S - Simbolul elementului (de exemplu, „C” pentru " "carbon)
      L - Eticheta atomului " "(de exemplu, „C2” pentru al doilea atom de carbon, „H1” pentru primul de " "hidrogen)
      x - Coordonata " "poziției X
      y - Coordonata " "poziției Y
      z - Coordonata " "poziției Z
      a - Coordonata " "rețelei „a” (numai pentru cristale)
      b - Coordonata rețelei „b” (numai pentru cristale)
      c - Coordonata rețelei „c” (numai pentru " "cristale)
      _ - Un spațiu literal " "(„ ”), util pentru aliniere
      0 - " "Un 0 literal („0”), util pentru fanioanele de optimizare
      1 - Un 1 literal („1”), util pentru fanioanele de " "optimizare

      " #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "Ajutor…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Lipește" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Revenire (la valorile dinainte)" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Aplică" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "Intrare CP2K" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Reinițializați tot" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Valorile implicite" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "Salvează fișierul…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "Configurare &bazică" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Titlu:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "Nume de bază pentru fișier:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "lucrare" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Calculează:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Metoda:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Setul de bază:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Funcțional" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Emax Spline Spin" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Poisson EWALD type" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Poisson EWALD Alpha" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "Poisson EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "TRUE" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "OUTER EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" "Extensia fișierului pentru conversia Open Babel (implicit - Avogadro::" "POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Parametrii supercelulei" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opțiuni pentru super celulă" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Repetare A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Repetare B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Repetare C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "Editor de celulă unitară" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Matricea celulară:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Matrice fracțională:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "&Transformă atomii" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Aplică" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Revenire|Anulare" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Ascunde" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Scalarea volumului celulei unitare" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "&Volum nou:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "Factor de &scalare:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Volumul curent:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Text etichetă" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Ordinea legăturilor:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Parametri de optimizare a geometriei" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Criterii de convergență" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "Convergența energiei:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Limita de pași:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " unități" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " pași" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "Convergența gradientului:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Metoda de optimizare" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Câmp de forță:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Autodetectare" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Intrare GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "În:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Multiplicitate:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Cu:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Sarcina:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "Import din PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Caută" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "nume" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "etichetă" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "sinonim" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "formula" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inci" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Căutare după: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Formula:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Descarcă" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Nume:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Inserează acizi nucleici" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "Constructor ADN/ARN" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "ADN" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "ARN" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Acizi nucleici:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenină" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Citozină" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Guanină" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Secvență:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "numărul de perechi de baze pe tur de elice" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "Alta" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Baze pe tură:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Șuvițe:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "Unică" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Dublă" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "Intrare LAMMPS" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Comentarii privind fișierul de intrare" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" "Selectează stilul de unitate care urmează să fie utilizat în timpul " "simulării." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Unități" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "real" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "electron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Potențialul apei" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Selectează stilul de atom „atom_style” utilizat în fișierul de date." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Stilul atomului" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "unghi" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomic" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "legătură" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "sarcină" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipol" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "elipsoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "complet" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "linie" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "mezo" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molecular" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "sferă" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "pachet de unde" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" "Specifică numele care urmează să fie utilizat pentru fișierul de coordonate." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Fișier de date de coordonate" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Ansamblu" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperatura" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Selectează numărul de lanțuri Nosé-Hoover din ansamblul NVT." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "Lanțuri NH" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Intervalul de timp pentru simulare în unități, în conformitate cu " "specificația „Unități”." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Intervalul de timp" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Numele fișierului XYZ care urmează să fie scris în timpul simulării." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Extrage XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Numărul de dimensiuni din sistem." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimensiuni" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Modifică stilul de delimitare Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "fm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Modifică stilul de delimitare Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Modifică stilul de delimitare X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "Selectează stilurile de delimitare în direcțiile X, Y și Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Delimitare" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Numărul de replicanți în direcțiile X, Y și Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Replicare" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Replicare în direcția X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Replicare în direcția Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Replicare în direcția Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Numărul total de intervale de timp pentru a rula simularea." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Numărul total de intervale" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Extrage interval" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Stabilește vitezele inițiale ale atomilor pentru simulare." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Vitezele inițiale" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Selectează distribuția vitezelor inițiale ale atomilor." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gaussian" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "uniform" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" "Stabilește vitezele inițiale ale atomilor pentru a corespunde acestei " "temperaturi." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Elimină momentul liniar al sistemului din vitezele inițiale." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Moment liniar zero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Elimină momentul unghiular al sistemului din vitezele inițiale." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Moment unghiular zero" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Controlează ieșirea termodinamică în timpul simulării." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Ieșire" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Interval ieșire" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Stilul de ieșire termodinamică." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "O singură linie" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Multiple linii" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Utilizează formularul" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "Generează…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Descriptor:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Transferă după:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Rotire în jurul:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Originii" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "Centrul moleculei" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "Centrul selecției" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "Axa X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Axa Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Axa Z" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "Mută:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "Atomi selectați" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "Orice altceva" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Căutare conformer" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Metodă" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "Numărul de conformeri:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Căutare sistematică a rotoarelor" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Căutare aleatorie a rotoarelor" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Căutare ponderată a rotoarelor" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Căutare prin algoritm genetic" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "Optimizare pentru fiecare conformer:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Opțiuni ale algoritmului genetic" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "numărul de copii pentru fiecare geometrie părinte" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "Copil:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "frecvența mutațiilor (mai mică = mutații mai frecvente)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "Mutabilitate:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "numărul de generații identice înainte de atingerea convergenței" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "Convergența:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "Metoda de evaluare:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" "metoda de evaluare pentru algoritmul genetic (RMSD = distanța geometrică, " "energie = cele mai mici energii)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "RMSD" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Algoritmul de optimizare:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Tehnica de căutare a liniilor:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Descinderea cea mai abruptă" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "Gradient conjugat" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Simplă" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Metoda lui Newton" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "Limitarea interacțiunilor nelegate" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "Distanța de separare Van der Waals:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Frecvența de actualizare a perechilor:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "distanța de separare electrostatică:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "Å" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "Convergența „energiei”:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "Constructor de scripturi OpenMM" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Scriptul lucrării:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "script" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Coordonate de intrare:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Topologia de intrare:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Câmpul de forță:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Modelul de apă:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Solvent implicit (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Platformă:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Referință" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Precizie:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "simplă" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "mixtă" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "dublă" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Indexul dispozitivului:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "Indexul platformei OpenCL:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "Metoda fără legare:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "NoCutoff" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "CutoffNonPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "CutoffPeriodic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Toleranța Ewald:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Constrângeri:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "Legături hidrogen" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "Toate legăturile" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "Unghiuri hidrogen" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "Toleranța la constrângeri:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "Apă rigidă?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "Fals" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "Separare fără legături:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr " nm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Viteza inițială aleatorie:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Temp. de generare:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrator:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Brownian" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "Langevin variabil" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "Verlet variabil" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "Interval de timp:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr " fs" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Toleranța la erori:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Rata de coliziune:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "/ps" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Temperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Barostat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Carlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Presiune:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr " atm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Interval barostat" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Raportori:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "Date de stare" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Interval de raportare:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "Etape de echilibrare:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Etape de producție:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Minimizare?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Nr. maxim de intervale de minimizare:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "Opțiuni de date de stare:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Index de etape/intervale" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Timp" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Viteză" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Progres" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Energia potențială" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Energia cinetică" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Energia totală" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "Volum" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "Opțiuni de trasare PDF" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Raza maximă:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Etapa (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Opțiuni de model XRD teoretic" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" "

      Lărgirea vârfului la bază (în grade).

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" "

      Valoarea maximă 2theta în grade.

      Implicit: " "162.00°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" "

      Lărgirea vârfurilor la bază în grade.

      Implicit: " "0.52958°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Numărul de puncte:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Lățimea vârfului:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Lungimea de undă:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" "

      Lungimea de undă a razelor X în angstromi.

      Implicit: 1.50560 Å

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" "

      Numărul de puncte 2theta de generat.

      Implicit: " "1000

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "Max 2*theta:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Descărcare selecție" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Raza punctului critic:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Raza traseului de legătură:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Covalent" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Dimensiune constantă" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Aplică culoarea" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "Vizualizare spectre" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "Factor de scalare:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "Axa X minimă:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "Axa X maximă:" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "Decalaj:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "Axa Y maximă:" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "Axa Y minimă:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "Lățimea vârfului:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "Pragul maxim:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "Unități:" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Aspect" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Afișează" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" "Importă un tsv de spectre experimentale pentru a le suprapune pe diagramă." #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Import…" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Stabilire culoare..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Spectrul importat:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Export..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Fundal:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "Spectre calculate:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "Dimensiune font:" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "Lățimea liniei:" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Exportare date" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "În&chide" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&Opțiuni…" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Comenzi cu butoanele mouse-uluii:\n" "Dublu clic stânga: Restaurează limitele implicite ale axelor\n" "Clic dreapta + tragere: Mută traseul\n" "Clic pe cel din mijloc + tragere: Zoom la regiune\n" "Rotița de derulare: Zoom la cursor" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "Î&ncărcare date..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Calitate: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Foarte joasă" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Joasă" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Medie" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Înaltă" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Foarte înaltă" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "Redare" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "Configurează" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Creează suprafețe" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Suprafață:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alfa" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Culoare de:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "Potențial electrostatic" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Rezoluție:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Valoarea isosuprafeței:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "Netezire:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Ușoară" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "Ridicată" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Calculează" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Moleculă" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Atomi echivalenți simetric:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Blochează simetria" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operații" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Elemente de simetrie:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Subgrupuri" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Subgrupuri:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Toleranța:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Strânsă" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normală" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Slabă" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Foarte slabă" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Detectează simetria" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "Centrează" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "Sarcina formală:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "0" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "+1" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "+2" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "+3" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "+4" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "+5" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "+6" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "+7" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "Coordonare:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: Octaedrică" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: Liniară" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: Liniară" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: Plană-trigonală" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: Tetraedrică" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: Plană-pătrată" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: Bipiramidală trigonală" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: Piramidală cu bază pătrată" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: Prismă trigonală" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: Bipiramidală pentagonală" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: Antiprismă pătrată" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "Liganzi" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "Tip:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "Monodentat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "Bidentat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "Tridentat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "Tetradentat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "Hexadentat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "Haptic" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "Din clipboard" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "Ligand:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Grupuri" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "Grup:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "amide" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "carboxilat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "ester" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "etilen" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "acetilenă" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "nitro" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "fenil" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "fosfat" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "sulfonat" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Moduri vibraționale" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplitudine:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "Pornire animație" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "Oprire animație" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Banda Yaehmop" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Y min: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" "

      Nivelul Fermi trebuie să fie cunoscut înainte de a " "bifa această căsuță. Puteți descoperi nivelul Fermi efectuând un calcul al " "densității de stări și afișând datele (acesta va fi în partea de sus a " "datelor). În plus, dacă se efectuează un calcul al densității de stări, " "nivelul Fermi de aici va fi stabilit automat la cel detectat în timpul " "calculului densității de stări.

      Dacă această căsuță este bifată, " "asigurați-vă că nivelul Fermi corect este stabilit în căsuța cu valori din " "dreapta.

      Implicit: dezactivat

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "Trasare nivel Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" "

      Ajustați energiile astfel încât nivelul zero să fie " "nivelul Fermi? Disponibil numai dacă se trasează nivelul Fermi.


      Implicit: dezactivat

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "Nivelul Fermi zero?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "Numărul de puncte k care conectează punctele k speciale:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Puncte k speciale" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Y max: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "

      Nivelul Fermi

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" "

      Introduceți punctele k speciale astfel

      L 0.5 0.5 " "0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      Adică, <simbolul> " "<x> <y> <z> unde x, y și z sunt coordonate spațiale " "reciproce fracționare. Se vor trasa linii care conectează aceste k-puncte pe " "grafic în ordinea în care le-ați pus. Vă rugăm să rețineți că orientarea " "celulei dvs. poate avea un efect asupra locațiilor acestor puncte spațiale " "reciproce.

      Dacă grupul spațial al cristalului a fost perceput sau " "stabilit, punctele k speciale vor fi completate automat cu punctele " "primitive de simetrie înaltă ale celulei pentru acel grup spațial. Există " "câteva grupuri spațiale care vor avea puncte de înaltă simetrie diferite în " "funcție de rețea (cum ar fi dacă a > b sau a < b) - acest lucru este " "luat în considerare automat.

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" "

      Introduceți numărul de puncte k care vor conecta " "punctele k speciale. Un număr mai mare de astfel de puncte k va netezi " "graficul, dar calculul poate dura mai mult.

      Implicit: 40

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" "

      Limitați intervalul y în grafic?

      Implicit: " "dezctivat

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "Limita intervalului y?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" "

      Numărul de dimensiuni periodice.


      Dacă este stabilit la 1, materialul va fi periodic numai de-a lungul " "vectorului A al cristalului.


      Dacă este stabilit la 2, " "materialul va fi periodic de-a lungul ambilor vectori A și B ai cristalului." "


      Dacă acesta este stabilit la 3, materialul va fi periodic " "de-a lungul vectorilor A, B și C ai cristalului.


      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Numărul de dimensiuni:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "Se afișează intrarea Yaehmop?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "Remus-Gabriel Chelu" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "remusgabriel.chelu@disroot.org" #~ msgid "eV" #~ msgstr "eV" #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "Sarcina parțială" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Instrument de manipulare centrat pe legături\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tFaceți clic și trageți pentru a roti " #~ "vizualizarea.\n" #~ "Butonul din mijloc al mouse-ului: \tFaceți clic și trageți pentru a mări " #~ "sau micșora imaginea.\n" #~ "Butonul drept al mouse-ului: \tFaceți clic și trageți pentru a muta " #~ "vizualizarea.\n" #~ "Faceți dublu clic: \tRestabiliți vizualizarea.\n" #~ "\n" #~ "Faceți clic cu butonul stâng și trageți pe o legătură pentru a stabili " #~ "planul de manipulare:\n" #~ "Faceți clic cu butonul stâng și trageți unul dintre atomii din legătură " #~ "pentru a modifica unghiul\n" #~ "Faceți clic cu butonul din dreapta și trageți unul dintre atomii din " #~ "legătură pentru a modifica lungimea" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Instrument de desenare\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tFaceți clic și trageți pentru a crea atomi " #~ "și legături\n" #~ "Butonul drept al mouse-ului: \tȘterge atomul" #~ msgid "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Instrument de etichetare a atomilor\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tFaceți clic pe atomi pentru a adăuga " #~ "etichete personalizate" #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate atoms.\n" #~ msgstr "" #~ "Instrument de manipulare\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tFaceți clic și trageți pentru a muta " #~ "atomii\n" #~ "Butonul drept al mouse-ului: \t Faceți clic și trageți pentru a roti " #~ "atomii.\n" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Instrument de măsurare\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tSelectează până la patru atomi.\n" #~ "\tDistanțele sunt măsurate între 1-2 și 2-3\n" #~ "\tUnghiul este măsurat între 1-3 folosind 2 ca punct comun\n" #~ "\tDiedrul este măsurat între 1-2-3-4\n" #~ "Butonul drept al mouse-ului: \tReinițializează măsurătorile." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Instrument de navigare\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tFaceți clic și trageți pentru a roti " #~ "vizualizarea.\n" #~ "Butonul din mijloc al mouse-ului: \tFaceți clic și trageți pentru a mări " #~ "sau micșora imaginea.\n" #~ "Butonul drept al mouse-ului: \tFaceți clic și trageți pentru a muta " #~ "vizualizarea.\n" #~ msgid "Animation Tool" #~ msgstr "Instrument de animație" #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Instrument de selecție\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tFaceți clic pentru a selecta atomi, " #~ "reziduuri sau fragmente individuale\n" #~ "\tTrageți pentru a selecta un interval de atomi\n" #~ "Butonul drept al mouse-ului: \tFaceți clic în afara moleculei pentru a " #~ "șterge selecția\n" #~ "Utilizați Ctrl pentru a comuta selecția și Shift pentru a adăuga la " #~ "selecție.\n" #~ "Dublu clic cu butonul stâng: \tSelectează un fragment întreg." #~ msgid "" #~ "Template Tool\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "Instrument de șablon\n" #~ "\n" #~ "Introduceți fragmente, inclusiv centre metalice.\n" #~ "Selectați un element și o geometrie de coordonare, apoi faceți clic " #~ "pentru a introduce un fragment.\n" #~ "\n" #~ "Selectați un ligand sau un grup funcțional și faceți clic pe un atom de " #~ "hidrogen pentru a-l atașa." #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals (OA)" #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Instrument de manipulare\n" #~ "\n" #~ "Butonul stâng al mouse-ului: \tFaceți clic și trageți pentru a muta " #~ "atomii\n" #~ "Butonul drept al mouse-ului: \tFaceți clic și trageți pentru a roti " #~ "atomii selectați.\n" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "Afișare simplă a sferelor VdW cu ocluzie ambientală." #~ msgid "Geometry" #~ msgstr "Geometriei" #~ msgid "Add Unit Cell" #~ msgstr "Adaugă celulă unitară" #~ msgid "By Atomic Index" #~ msgstr "După indicele atomic" #~ msgid "By Distance" #~ msgstr "După distanță" #~ msgid "Select Water…" #~ msgstr "Selectare apă…" #~ msgid "&Copy" #~ msgstr "&Copiază" #~ msgid "Molecule Name:" #~ msgstr "Nume moleculă:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Masa moleculară (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Formula chimică:" #~ msgid "Number of Atoms:" #~ msgstr "Numărul de atomi:" #~ msgid "Number of Bonds:" #~ msgstr "Numărul de legături:" #~ msgid "TODO" #~ msgstr "DE FĂCUT" avogadrolibs-1.100.0/i18n/ru.po000066400000000000000000012611301474375334400161140ustar00rootroot00000000000000# Russian translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # # FIRST AUTHOR , 2008. # Yuri Kozlov , 2011. # Artem , 2020. # koffevar , 2020. # Anna Malinovskaia , 2021, 2022, 2023, 2024, 2025. # Alex Brohovsky , 2021. # МАН69К , 2022. # Kateryna Golovanvoa , 2022. # Oleg Shparber , 2023. # Ivanushka , 2023. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-16 14:01+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Russian \n" "Language: ru\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=3; plural=(n%10==1 && n%100!=11 ? 0 : n%10>=2 && " "n%10<=4 && (n%100<10 || n%100>=20) ? 1 : 2);\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Фоновое задание #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Сообщение не указано." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "script --вывод параметров печати должен быть объектом JSON на верхнем " "уровне. Получено:\n" "%1" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "Возвращено нестроковое предупреждение." #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "элемент 'предупрежден' не является массивом." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Ссылочный файл '%1' не существует." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "Ошибка заполнения файла %1: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Файл '%1' имеет неверное содержание. Отсутствует элементы строки 'contents' " "или 'filePath'." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Неверная запись в файле: имя файла/содержимое отсутствует или нет строк:\n" "%1" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" "Неправильно сформированная запись в файле с индексом %1: Не является " "объектом." #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "элемент 'файлы' не является массивом." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "отсутствует элемент \"файлы\"." #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "Элемент 'mainFile' не ссылается на запись в разделе 'файлы'." #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "Элемент 'mainFile' должен быть строкой." #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "Ответ должен быть объектом JSON наивысшего уровня." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Вывод сценария:\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Ошибка синтаксического анализа при смещении %L1: \"%2\"\n" "Необработанный JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Ошибка сохранения представления молекулы в строку: Неопознанный формат файла:" "%1" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Ошибка сохранения представления молекулы в строку: %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Ошибка создания объекта cjson: Ошибка синтаксического анализа при смещении " "%1: %2\n" "Необработанный JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Генератор ошибок Объект cjson: Проанализированный JSON не является " "объектом:\n" "%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "Генератор ввода (ошибка)" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "%1 Генератор ввода" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Продолжить" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Закрыть" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Неизвестный" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "Следующие файл(ы) были изменены:\n" "\n" "%1\n" "\n" "Хотели бы вы перезаписать свои изменения, чтобы отразить новую геометрию или " "параметры задания?" msgstr[1] "" "Следующие файл(ы) были изменены:\n" "\n" "%1\n" "\n" "Хотели бы вы перезаписать свои изменения, чтобы отразить новую геометрию или " "параметры задания?" msgstr[2] "" "Следующие файл(ы) были изменены:\n" "\n" "%1\n" "\n" "Хотели бы вы перезаписать свои изменения, чтобы отразить новую геометрию или " "параметры задания?" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Перезаписать измененные входные файлы?" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "Проблемы, возникшие во время генерации входных данных:" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "Нет входных файлов для сохранения!" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "Не удается подключиться к MoleQueue" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Не удается подключиться к серверу MoleQueue. Пожалуйста, убедитесь, что он " "работает, и повторите попытку." #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "Отправить Расчет %1" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "Задание не выполнено" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "Работа не была завершена успешно." #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "Скрипт возвращает предупреждения:\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "Скрыть &предупреждения" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "Показывать &предупреждения" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "Произошла ошибка:" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "Выберите выходное имя файла" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" "Внутренняя ошибка: не удалось найти текстовый виджет для имени файла '%1'" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Ошибка Вывода" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Не удалось выполнить запись в файл %1." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Выберите директорию вывода" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Каталог не существует!" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Каталог не может быть прочитан!" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: Файл будет перезаписан." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: Файл недоступен для записи." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "Входные файлы не могут быть записаны из-за неизвестной ошибки." #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Входные файлы не могут быть записаны:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Входные файлы не могут быть записаны:\n" "\n" "%1\n" "\n" "Предупреждения:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Предупреждение:\n" "\n" "%1\n" "\n" "Вы хотели бы продолжить?" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Запись входных файлов" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "Настройка Задания" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Отправка задания в MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Время Ожидания Отправки Задания" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Время ожидания Avogadro истекло, ожидая ответа от MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Водород" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Гелий" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Литий" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Бериллий" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Бор" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Углерод" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Азот" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Кислород" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Фтор" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Неон" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Натрий" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Магний" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Алюминий" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Кремний" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Фосфор" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Сера" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Хлор" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Аргон" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Калий" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Кальций" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Скандий" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Титан" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Ванадий" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Хром" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Марганец" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Железо" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Кобальт" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Никель" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Медь" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Цинк" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Галлий" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Германий" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Мышьяк" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Селен" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Бром" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Криптон" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Рубидий" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Стронций" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Иттрий" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Цирконий" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Ниобий" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Молибден" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Технеций" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Рутений" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Родий" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Палладий" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Серебро" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Кадмий" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Индий" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Олово" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Сурьма" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Теллур" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Иод" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Ксенон" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Цезий" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Барий" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Лантан" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Церий" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Празеодим" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Неодим" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Прометий" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Самарий" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Европий" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Гадолиний" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Тербий" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Диспрозий" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Гольмий" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Эрбий" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Тулий" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Иттербий" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Лютеций" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Гафний" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Тантал" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Вольфрам" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Рений" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Осмий" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Иридий" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Платина" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Золото" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Ртуть" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Таллий" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Свинец" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Висмут" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Полоний" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Астат" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Радон" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Франций" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Радий" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Актиний" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Торий" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Протактиний" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Уран" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Нептуний" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Плутоний" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Америций" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Кюрий" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Берклий" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Калифорний" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Эйнштейний" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Фермий" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Менделевий" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Нобелий" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Лоуренсий" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Резерфордий" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Дубний" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Сиборгий" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Борий" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Хассий" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Мейтнерий" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Дармштадтий" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Рентгений" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Коперниций" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Нихоний" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Флеровий" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Московий" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Ливерморий" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Теннессин" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Оганесон" #: qtgui/filebrowsewidget.cpp:23 #, fuzzy msgid "Browse" msgstr "Обзор" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Все файлы" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "Не удалось найти опцию '%1'." #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Название" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "Теория" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Базис" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 #, fuzzy msgid "[no molecule]" msgstr "[Молекула не задана]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Шаро-стержневая модель" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Структурные мотивы" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Дипольный момент" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Градиент" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 #, fuzzy #| msgid "QTAIM" msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Ван-дер-Ваальсовы сферы" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Каркас" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "Безымянный" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Периодическая система" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Добавить атом" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Удалить атом" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "" "Автоматическое добавление\n" "атомов водорода" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Изменить элемент" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Изменить элемент" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Добавить связь" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 #, fuzzy msgid "Clear Bonds" msgstr "Удалить связь" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Изменить порядок связи" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "Привязка к связям" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 #, fuzzy msgid "Build Super Cell" msgstr "Надъячейка" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Заполнить ячейку" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 #, fuzzy #| msgid "Change selections" msgid "Change Selection" msgstr "Изменить выбор" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 #, fuzzy #| msgid "&Settings" msgid "Settings" msgstr "Параметры" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Файл" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 #, fuzzy msgid "&Export" msgstr "Экспорт" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "П&остроение" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Элемент:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Выровнять" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Ось:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Выровнять молекулы по осям координат" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, fuzzy msgid "IO Error" msgstr "Ошибка" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Ошибка" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "Успешно" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "По Элементам" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy #| msgid "Partial charge" msgid "By Partial Charge…" msgstr "По Частичный заряке…" #: qtplugins/applycolors/applycolors.cpp:82 #, fuzzy msgid "By Secondary Structure" msgstr "вторичную структуру" #: qtplugins/applycolors/applycolors.cpp:87 #, fuzzy msgid "By Amino Acid" msgstr "Аминокислоты" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 #, fuzzy #| msgid "Spectra" msgctxt "colormap" msgid "Spectral" msgstr "Спектры" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Вид" #: qtplugins/applycolors/applycolors.cpp:152 #, fuzzy msgid "Color Atoms" msgstr "Цветные Атомы" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 #, fuzzy msgid "ApplyColors" msgstr "Примените цвета" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Показывать кратные связи" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "Распознать связи" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "Связь" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 #, fuzzy msgid "Perceive bond orders." msgstr "Распознать связи" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Каркас" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Лента" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Мультипликация" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Мультипликация" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Добавить центр масс" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "Расширения" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #, fuzzy msgid "Scripts" msgstr "Сценарии" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 #, fuzzy #| msgid "Other" msgid "Other…" msgstr "Другая…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "Редактор координат…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Редактор координат" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Название элемента." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Символ элемента." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Номер атома." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 #, fuzzy msgid "X coordinate." msgstr "Координаты X." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 #, fuzzy msgid "Y coordinate." msgstr "Координаты Y." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 #, fuzzy msgid "Z coordinate." msgstr "Координаты Z." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Настраиваемое" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Входной файл Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 #, fuzzy msgid "Copy" msgstr "Копировать" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 #, fuzzy msgid "Clear" msgstr "Очистить" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Копирование и вставка" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Взаимодействуйте с буфером обмена." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "Сгенерируйте входные данные для CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Энергия" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "Молекулярная динамика" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "Геометрическая оптимизация" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "Методы электронной структуры (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "Молекулярная механика" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Гибридный квантово-классический (Пока не поддерживается)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "НЕТ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 #, fuzzy msgid "Conjugate Gradients" msgstr "Сопряжённые градиенты" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 #, fuzzy msgid "Steepest descent" msgstr "Наискорейший спуск" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "Входной файл был изменен. Хотели бы вы перезаписать свои изменения, чтобы " "отразить новую геометрию или параметры задания?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "Переписать измененный входной файл?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "Сохранить входной файл CP2K" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "Отправить расчет CP2K" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy #| msgid "Import Crystal from Clipboard" msgid "Import Crystal from Clipboard…" msgstr "Импорт кристаллов из буфера обмена…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Ячейка тумблера" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy #| msgid "Edit Unit Cell..." msgid "Edit Unit Cell…" msgstr "Редактировать ячейку…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Вернуть атомы в элементарную ячейку" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 #, fuzzy msgid "Build &Supercell…" msgstr "Надъячейка…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "&Crystal" msgstr "Кристалл" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Добавить &Элементарную ячейку" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "Импорт кристаллов из буфера обмена" #: qtplugins/crystal/crystal.cpp:175 #, fuzzy #| msgid "&Wrap Atoms to Unit Cell" msgid "Wrap atoms into the unit cell." msgstr "Вернуть атомы в элементарную ячейку." #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "Кристалл" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Невозможно разобрать текст" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Рисовать" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Нарисовать атом" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Расстояние:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "Автоматический" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Одинарная" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Двойная" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Тройная" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 #, fuzzy msgid "&Import" msgstr "Импортировать" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Загрузить PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Скачать химическую структуру" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Сетевой сбой при загрузке" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Истекло время соединения, или другая ошибка" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Не удалось найти молекулу: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Загрузить из PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 #, fuzzy msgid "Optimize Geometry" msgstr "Оптимизировать геометрию" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Настроить…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy #| msgid "Import Selected Atoms" msgid "Freeze Selected Atoms" msgstr "Зафиксировать выделенные атомы" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "Рассчитать" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "%1 Энергия = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield optimization" msgstr "Оптимизация с помощью силового поля" #: qtplugins/forcefield/forcefield.h:50 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" msgstr "Оптимизация с помощью силового поля" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "&GAMESS" msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Входной файл GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "Энергия в точке" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Равновесная геометрия" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Переходное состояние" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Частоты колебаний" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Псевдопотенциал" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "газовой фазе" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "воде" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Синглет" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Дублет" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Триплет" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Дикатион" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Катион" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Нейтральный" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Анион" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Дианион" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Автоматическое добавление атомов водорода" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Добавить атомы водорода" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Удалить атомы водорода" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "Атомы водорода" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Атомы водорода" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 #, fuzzy #| msgid "DNA/RNA..." msgid "DNA/RNA…" msgstr "ДНК/РНК…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "В&ставить" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy #| msgid "Insert DNA/RNA" msgid "Insert DNA/RNA…" msgstr "Вставить ДНК/РНК…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "Урацил" #: qtplugins/insertdna/insertdna.cpp:166 #, fuzzy #| msgid "T" msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "Тимин" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 #, fuzzy #| msgid "Molecule" msgid "Insert Molecule…" msgstr "Вставить Молекула…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy #| msgid "Insert DNA" msgid "InsertDNA" msgstr "Вставить ДНК" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "Молекула…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Кристалл…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "Импортировать кристалл" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Вставить фрагмент" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Вставить фрагмент" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Вставить фрагменты молекул для построения большей молекулы" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "Цвет:" #: qtplugins/label/label.cpp:170 #, fuzzy msgid "Distance from center:" msgstr "Расстояние от центра:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Отсутствует" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "Нумерация" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "Уникальный ID" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Элемент" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 #, fuzzy msgid "Atom Label:" msgstr "Надписи атомов:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Вы хотите обновить текст входного файла Lammps, потеряв все изменения, " "сделанные на панели предпросмотра?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Непрозрачность:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "Нет описания!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Перемещение" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Измерение" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Двугранный угол:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Угол:" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "Углы:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(ожидается)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy msgid "&Molecular…" msgstr "&Молекулярная…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 #, fuzzy msgid "&Analysis" msgstr "Аналитический" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Свойства" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Свойства молекулы" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Свойства молекулы" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 #, fuzzy msgid "Export CSV" msgstr "Экспортировать CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 #, fuzzy #| msgid "WFN files (*.wfn);;All files (*.*)" msgid "CSV Files (*.csv);;All Files (*)" msgstr "Файлы CSV (*.csv);;Все файлы (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 #, fuzzy #| msgid "Could not open file '%1' for writing." msgid "Could not open the file for writing." msgstr "Не удалось открыть файл '%1' для записи." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy msgid "Export…" msgstr "Экспорт…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Навигация" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "Инвертировать направление масштабирования при прокрутке" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Название вещества" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 #, fuzzy msgid "Configure Force Field…" msgstr "Настроить силовое поле…" #: qtplugins/openbabel/openbabel.cpp:59 #, fuzzy #| msgid "Conformer Search" msgid "Conformer Search…" msgstr "Поиск конформеров…" #: qtplugins/openbabel/openbabel.cpp:65 #, fuzzy msgid "Perceive Bonds" msgstr "Распознать связи" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Добавить протоны при pH…" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "Удалить атомы водорода" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Оптимизировать геометрию (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Добавить атомы водорода (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "Добавить протоны при pH" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Удалить атомы водорода (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Вы хотите обновить текст входного файла OpenMM, теряя все изменения, " "сделанные на панели предпросмотра?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Остановить" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 #, fuzzy msgid "Dynamic bonding?" msgstr "Динамические связи" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "видео файлы (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "Сообщение об ошибке: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 #, fuzzy msgid "Save File" msgstr "Сохранить файл" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Валентность" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "Цвет" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Атом" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Тип" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "Первый атом" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Последний атом" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Порядок связи" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Длина (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 #, fuzzy msgid "Secondary Structure" msgstr "Вторичную Структура" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Атом 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Вершина" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Атом 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Угол (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Атом 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Атом 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "Спираль" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "Спираль" #: qtplugins/propertytables/propertymodel.cpp:939 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "Лист" #: qtplugins/propertytables/propertymodel.cpp:941 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Спираль 3-10" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "Свойства атомов…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "Свойства связей…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Свойства углов…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy #| msgid "Torsion Properties" msgid "Torsion Properties…" msgstr "Свойства двугранных углов…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" "Окна, отображающие свойства атомов, связей, валентных и двугранных углов." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Свойства" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Свойства атомов..." #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Свойства связей" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Свойства углов" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Свойства двугранных углов" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Свойства конформеров" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Отображает элементы на основе свойств QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Открытие файла WFN" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Файлы WFN (*.wfn);;Все файлы (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Расширение QTAIM" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "Сброс" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Изменить выбор" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Выделить" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" msgstr "Выделить остатку" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "Выделить" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Выделение" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 #, fuzzy msgid "Paint Atoms" msgstr "Первый атом" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Заполнить ячейку…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "Международное" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgid "Spectra" msgid "Spectra" msgstr "Спектры" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "ИК" #: qtplugins/spectra/spectradialog.cpp:440 #, fuzzy #| msgctxt "Raman spectrum" #| msgid "Raman" msgid "Raman" msgstr "КР" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "ЯМР" #: qtplugins/spectra/spectradialog.cpp:446 #, fuzzy #| msgid "electron" msgid "Electronic" msgstr "электрон" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 #, fuzzy #| msgid "&Density Of States Settings" msgid "Density of States" msgstr "Плотности состояний" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Выберите цвет фона" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Выберите цвет линий" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "Выберите цвет рассчитанных спектров" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "Выберите цвет импортированных спектров" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 #, fuzzy #| msgid "Wavenumber (cm-1)" msgid "Wavenumbers (cm⁻¹)" msgstr "Волновое число (см⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 #, fuzzy #| msgid "Intensities" msgid "Intensity" msgstr "Интенсивности" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 #, fuzzy #| msgid "Shift (ppm)" msgid "Chemical Shift (ppm)" msgstr "Химический сдвиг (м.д.)" #: qtplugins/spectra/spectradialog.cpp:627 #, fuzzy #| msgid "Electron Density" msgid "Electronic Spectra" msgstr "Электронная Спектры" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Энергия (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Орбиталь" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Симметрия" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Состояние" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "ВЗМО" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "НСМО" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Молекулярная орбиталь" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Электронная плотность" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(ВЗМО)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(НСМО)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Create Surfaces" msgid "Create Surfaces…" msgstr "Создать поверхности…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 #, fuzzy msgid "Calculating electron density" msgstr "Расчет электронной плотности" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Поверхности" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 #, fuzzy #| msgid "Symmetry" msgid "Symmetry…" msgstr "Симметрия…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "Группа %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 #, fuzzy #| msgid "Temperature" msgid "Template" msgstr "Шаблоны" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "Колебание" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "Ошибка: Не удалось запустить %1" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Диалог" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Форма" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #, fuzzy #| msgid "Submit CP2K Calculation" msgid "Submit Calculation…" msgstr "Отправить расчет…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "Вставить фрагмент…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Фильтр:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Вставить" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Силовое поле:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Успешно!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial charge" msgid "Partial Charges" msgstr "Частичный заряд" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) #, fuzzy #| msgid "Charge:" msgid "Charge Model:" msgstr "Заряд модель:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Бор" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Формат:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Применить" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Сбросить всё" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "По умолчанию" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Сохранить файл…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Основные параметры" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Название:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Рассчитать:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Метод:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Настройки надъячейки" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Повторений по оси A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Повторений по оси B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Повторений по оси C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Применить" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Скрыть" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Текстовая метка" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Порядок связи:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " единицы измерения" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " шагов" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Входной файл GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "В:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Мультиплетность:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "С помощью:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Заряд:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "имя" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "ДНК" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "РНК" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Аденин" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Цитозин" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Гуанин" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy #| msgid "G" msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy #| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Последовательность:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other" msgid "Other" msgstr "Другая" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Одинарная" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Двойная" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "металл" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "электрон" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Потенциал воды" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Стиль атома" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "угол" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "атомный" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "заряд" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "диполь" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "эллипсоид" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "полный" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "молекулярный" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "пери" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "сфера" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Температура" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Временной шаг" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Размеры" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Граница" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Создать копию" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Создать копию размера X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Создать копию размера Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Создать копию размера Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "Гаусс" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Интервал вывода" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Одна строка" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Несколько строк" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Использовать форму" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Переведено:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Повернуть вокруг:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) #, fuzzy #| msgid "Origin:" msgid "Origin" msgstr "Центр" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "Ось X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Ось Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Ось Z" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Поиск конформеров" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Метод" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Number of conformers" msgid "Number of conformers:" msgstr "Число конформеров:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Систематический поиск внутренних вращений" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Случайный поиск внутренних вращений" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Средневзвешенный поиск внутренних вращений" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy #| msgid "Children" msgid "Children:" msgstr "Потомки:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Наискорейший спуск" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "Å" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Силовое поле:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Стандарт" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Одинарная" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Двойная" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Ограничения:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr " кадров/с" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Температура:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Общая энергия" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Длина волны:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Ковалентный" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Постоянный размер" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy #| msgid "Frequency Scale Factor:" msgid "Scale Factor:" msgstr "Коэффициент масштабирования:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Width:" msgid "Peak Width:" msgstr "Толщина:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) #, fuzzy #| msgid "Threshold:" msgid "Peak Threshold:" msgstr "Порог:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "Внешний вид" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Показать" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" "Импортирует экспериментальные спектры в формате tsv и отображает на том же " "графике" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Импорт..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Выбрать..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Импортированные спектры.." #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Экспорт..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Фон:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Export Calculated Spectrum" msgid "Calculated Spectra:" msgstr "Рассчитанного спектра:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy #| msgid "10e-" msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Экспортировать данные" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Закрыть" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Управление:\n" "Двойной щелчок левой кнопкой: Restore default axis limits\n" "Щелчок левой кнопкой + перемещение: Переместить график\n" "Щелчок средней кнопкой: Увеличить область\n" "Прокрутка: Увеличить под курсором" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "&Загрузить данные" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Качество: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Низкое" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Среднее" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Высокое" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Очень высокое" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Создать поверхности" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Раскрасить по:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy #| msgctxt "Electrostatic potential surface type" #| msgid "Electrostatic Potential" msgid "Electrostatic Potential" msgstr "Электростатический потенциал" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Разрешение:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Параметр отсечения изоповерхности:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " K" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Светлый" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Рассчитать" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Молекула" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "1: Linear" msgstr "Линейное" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "2: Linear" msgstr "Линейное" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "Тип:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) #, fuzzy #| msgid "Import Crystal from Clipboard" msgid "From Clipboard" msgstr "из буфера обмена" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy #| msgid "Group %1" msgid "Groups" msgstr "Группы" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Group %1" msgid "Group:" msgstr "Группа:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Амплитуда:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #, fuzzy msgid "Start Animation" msgstr "Начать анимацию" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) #, fuzzy msgid "Stop Animation" msgstr "Остановить анимацию" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) #, fuzzy msgid " eV" msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Alexei Klimenko,Andrey Smolenkov,Konstantin " "Tokarev,Koptev Oleg,Nick Gorbunov,Nkolay Parukhin,Petr E. Antonov,Vasily " "Astanin,Vladimir Kurg,dn2010, ,Launchpad Contributions:,Alexei Klimenko," "Andrey Smolenkov,Konstantin Tokarev,Koptev Oleg,Nick Gorbunov,Nkolay " "Parukhin,Petr E. Antonov,Vasily Astanin,Vladimir Kurg,dn2010, ,Launchpad " "Contributions:,Konstantin Tokarev, ,Launchpad Contributions:,Konstantin " "Tokarev,Vasily Astanin, ,Launchpad Contributions:,Konstantin Tokarev,Nkolay " "Parukhin,Solodukhin D.,Vasily Astanin,dn2010, ,Launchpad Contributions:," "Konstantin Tokarev,Nkolay Parukhin,Oleg,Solodukhin D.,Vasily Astanin," "dn2010, ,Launchpad Contributions:,Avogadro Team,Konstantin Tokarev,Nkolay " "Parukhin,Oleg,Solodukhin D.,Vasily Astanin,dn2010, ,Launchpad Contributions:," "Avogadro Team,Konstantin Tokarev,Nkolay Parukhin,Oleg,Solodukhin D.,Vasily " "Astanin,dn2010, ,Launchpad Contributions:,Avogadro Team,Konstantin Tokarev," "Nkolay Parukhin,Oleg,Solodukhin D.,Vasily Astanin,dn2010, ,Launchpad " "Contributions:,Avogadro Team,Konstantin Tokarev,Nkolay Parukhin,Oleg," "Solodukhin D.,Vasily Astanin,Wladimir Rossinski,dn2010, ,Launchpad " "Contributions:,Avogadro Team,Konstantin Tokarev,Nkolay Parukhin,Oleg," "Solodukhin D.,Vasily Astanin,Wladimir Rossinski,dn2010, ,Launchpad " "Contributions:,Auduf,Avogadro Team,Konstantin Tokarev,ManDrive,Nkolay " "Parukhin,Oleg,Solodukhin D.,Vasily Astanin,Wladimir Rossinski,Yuri Kozlov," "dn2010, ,Launchpad Contributions:,Auduf,Avogadro Team,Konstantin Tokarev," "ManDrive,Nkolay Parukhin,Oleg,Solodukhin D.,Vasily Astanin,Wladimir " "Rossinski,Yuri Kozlov,dn2010, ,Launchpad Contributions:,Auduf,Avogadro Team," "Konstantin Tokarev,ManDrive,Nkolay Parukhin,Oleg,Solodukhin D.,Vasily " "Astanin,Wladimir Rossinski,Yuri Kozlov,dn2010" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,annulen@yandex.ru,,,nik@sevpinro.ru,,madcad@yandex.ru,,dn2010@km.ru,,,,," "annulen@yandex.ru,,,nik@sevpinro.ru,,madcad@yandex.ru,,dn2010@km.ru,,," "annulen@yandex.ru,,,annulen@yandex.ru,madcad@yandex.ru,,,annulen@yandex.ru," "parukhin@gmail.com,hippi90ub@gmail.com,madcad@yandex.ru,dn2010@km.ru,,," "annulen@yandex.ru,parukhin@gmail.com,,hippi90ub@gmail.com,madcad@yandex.ru," "dn2010@km.ru,,,avogadro-devel@lists.sourceforge.net,annulen@yandex.ru," "parukhin@gmail.com,,hippi90ub@gmail.com,madcad@yandex.ru,dn2010@km.ru,,," "avogadro-devel@lists.sourceforge.net,annulen@yandex.ru,parukhin@gmail.com,," "hippi90ub@gmail.com,madcad@yandex.ru,dn2010@km.ru,,,avogadro-devel@lists." "sourceforge.net,annulen@yandex.ru,parukhin@gmail.com,,hippi90ub@gmail.com," "madcad@yandex.ru,dn2010@km.ru,,,avogadro-devel@lists.sourceforge.net," "annulen@yandex.ru,parukhin@gmail.com,,hippi90ub@gmail.com,madcad@yandex.ru,," "dn2010@km.ru,,,avogadro-devel@lists.sourceforge.net,annulen@yandex.ru," "parukhin@gmail.com,,hippi90ub@gmail.com,madcad@yandex.ru,,dn2010@km." "ru,,,5097@mail.ru,avogadro-devel@lists.sourceforge.net,annulen@yandex.ru," "roman_romul@mail.ru,parukhin@gmail.com,,hippi90ub@gmail.com,madcad@yandex." "ru,,yuray@komyakino.ru,dn2010@km.ru,,,5097@mail.ru,avogadro-devel@lists." "sourceforge.net,annulen@yandex.ru,roman_romul@mail.ru,parukhin@gmail.com,," "hippi90ub@gmail.com,madcad@yandex.ru,,yuray@komyakino.ru,dn2010@km." "ru,,,5097@mail.ru,avogadro-devel@lists.sourceforge.net,annulen@yandex.ru," "roman_romul@mail.ru,parukhin@gmail.com,,hippi90ub@gmail.com,madcad@yandex." "ru,,yuray@komyakino.ru,dn2010@km.ru" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #, fuzzy #~ msgid "eV)" #~ msgstr "eV)" #, fuzzy #~| msgid "Partial charge" #~ msgid "Partial Charge" #~ msgstr "Частичный заряд" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Инструмент построение молекулы\n" #~ "\n" #~ "Нажатием и зажатием левой кнопки мыши можно создавать атомы и связи\n" #~ "Нажатием правой кнопки мыши можно удалить атом" #~ msgid "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "Инструмент для пометки атомов\n" #~ "\n" #~ "Нажатием левой кнопки мыши на определенном атоме можно инициировать\n" #~ "текстовое поле для создания текстовой метки на атоме" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Линейка\n" #~ "\n" #~ "Левой кнопкой мыши: \t Выберите до 4 атомов.\n" #~ "\tДлины связей измеряются между 1-2 и 2-3 атомами\n" #~ "\tУгол связи измеряется между атомами 1-2-3, где 2 - центр угла\n" #~ "\tДвугранный угол измеряется между 1-2-3-4\n" #~ "Правой кнопкой мыши: \tОбнулить измерения." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Инструмент изменения обзора\n" #~ "\n" #~ "Зажатием левой кнопки мыши вы можете вращать молекулу\n" #~ "Прокруткой (или зажимая Shift) вы можете масштабировать молекулу\n" #~ "Правой кнопкой мыши вы можете перемещать молекулу.\n" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Анимация" #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Инструмент для выделения атомов\n" #~ "\n" #~ "Нажатием левой кнопки мыши вы можете выделить отдельные атомы или " #~ "фрагменты\n" #~ "\tЗажав ЛКМ и передвигая курсор вы можете выделить сразу несколько " #~ "атомов\n" #~ "Нажатием правой кнопки мыши в пространстве за молекулой можно снять " #~ "выделение\n" #~ "Нажатием Ctrl (Command) вы можете инвертировать выделение, а зажатием " #~ "Shift добавить к текущему выделению.\n" #~ "Двойным нажатием вы можете выделить весь фрагмент целиком." #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Ван-дер-Ваальсовы АО" #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Инструмент для манипуляций над структурой\n" #~ "\n" #~ "Зажмите левую кнопку мыши, чтобы передвинуть атом\n" #~ "Зажмите правую кнопку мыши, чтобы вращать выбранный атом\n" #~ msgid "Geometry" #~ msgstr "Геометрия" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Добавить &Элементарную ячейку" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Номера атомов" #, fuzzy #~ msgid "By Distance" #~ msgstr "Расстояние" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Номера атомов" #, fuzzy #~ msgid "&Copy" #~ msgstr "Копировать всё" #, fuzzy #~| msgid "Molecule Charge:" #~ msgid "Molecule Name:" #~ msgstr "Заряд молекулы:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Молекулярная масса (г/моль):" #~ msgid "Chemical Formula:" #~ msgstr "Химическая формула:" #~ msgid "Number of Atoms:" #~ msgstr "Количество атомов:" #~ msgid "Number of Bonds:" #~ msgstr "Количество связей:" #~ msgid "TODO" #~ msgstr "TODO" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Размер перехода:" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "Оптимизация" #, fuzzy #~ msgid "In." #~ msgstr "В:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Фрагмент..." #, fuzzy #~| msgid "DFT Functional:" #~ msgid "Functional Groups" #~ msgstr "Функционал плотности:" #~ msgid "Other..." #~ msgstr "Другой..." #, fuzzy #~ msgid "Filename" #~ msgstr "Имя файла:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Структура:" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Навигация" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Навигация" #~ msgid "OK" #~ msgstr "Готово" #~ msgid "Cancel" #~ msgstr "Отменить" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Название элемента" #~ msgid "All files (*);;" #~ msgstr "Все файлы (*);;" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Ромбоэдрическая" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Молекула" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Молекула не задана" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Кристалл..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Добавить протоны при pH..." #~ msgid "Atom Properties..." #~ msgstr "Свойства атомов..." #~ msgid "Bond Properties..." #~ msgstr "Свойства связей..." #~ msgid "Angle Properties..." #~ msgstr "Свойства углов..." #~ msgid "Torsion Properties..." #~ msgstr "Свойства двугранных углов..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Свойства молекулы..." #~ msgid "Create Surfaces..." #~ msgstr "Создать поверхности..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Симметрия" #~ msgid "Insert Fragment..." #~ msgstr "Вставить фрагмент..." #~ msgid "Theory:" #~ msgstr "Теория:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Расстояние (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Вращение" #, fuzzy #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "Конформер %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "Конформер %1" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Угол %1" #~ msgid "Angle" #~ msgstr "Угол" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "Конформер %1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Двугранный угол %1" #~ msgid "Torsion" #~ msgstr "Двугранный угол" #~ msgid "Energy (kJ/mol)" #~ msgstr "Энергия (кДж/моль)" #~ msgid "Yes" #~ msgstr "Да" #~ msgid "No" #~ msgstr "Нет" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Генератор входного файла..." #, fuzzy #~ msgid "Import" #~ msgstr "Импортировать" #~ msgid "Insert SMILES" #~ msgstr "Вставить SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Вставить фрагмент, используя SMILES:" #~ msgid "Insert Crystal" #~ msgstr "Вставить кристалл" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Вставить фрагменты молекул для построения большей молекулы" #~ msgid "E&xtensions" #~ msgstr "Рас&ширения" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Оптимизировать геометрию" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Оптимизация геометрии" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Добавить атомы водорода" #, fuzzy #~ msgid "Stopped" #~ msgstr "Остановить" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Поверхности" #~ msgid "Color by Index" #~ msgstr "порядковому номеру атома" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Раскрасить по порядковому номеру атома (красный, оранжевый, жёлтый, " #~ "зелёный, синий, фиолетовый)." #~ msgid "Color by Partial Charge" #~ msgstr "частичному заряду атома" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Раскрасить по частичному заряду атома (синий = положительный, красный = " #~ "отрицательный)." #~ msgid "Custom Color:" #~ msgstr "Другой цвет:" #~ msgid "Set custom colors for objects" #~ msgstr "Настроить цвета объектов" #~ msgid "Color by Distance" #~ msgstr "расстоянию" #~ msgid "Color by distance from the first atom." #~ msgstr "Раскрасить по расстоянию от первого атома" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Раскрасить по элементу (углерод = серый, кислород = красный, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "" #~ "Раскрасить согласно аминокислотному остатку (тип аминокислоты, " #~ "гидрофобность, ...)" #~ msgid "SMARTS Pattern:" #~ msgstr "Запрос SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Цвет подсветки:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "запросу SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Выделить фрагменты, удовлетворяющие запросу SMARTS" #~ msgid "Ununtrium" #~ msgstr "Унунтрий" #~ msgid "Ununpentium" #~ msgstr "Унунпентий" #~ msgid "Ununseptium" #~ msgstr "Унунсептий" #~ msgid "Ununoctium" #~ msgstr "Унуноктий" #~ msgid "Engines" #~ msgstr "Движки" #~ msgid "Axes" #~ msgstr "Оси" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Отображает атомы шарами, а связи стержнями" #~ msgid "Dipole" #~ msgstr "Диполь" #~ msgid "Hydrogen Bond" #~ msgstr "Водородные связи" #~ msgid "Renders hydrogen bonds" #~ msgstr "Отображает водородные связи" #~ msgid "Select Atom Labels Color" #~ msgstr "Выбрать цвет подписей атомов" #~ msgid "Select Bond Labels Color" #~ msgstr "Выбрать цвет подписей связей" #~ msgid "Select Bond Labels Font" #~ msgstr "Шрифт подписей связей:" #~ msgid "Polygon" #~ msgstr "Многоугольник" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Отображает атомы как тетраэдры, октаэдры и другие многогранники" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Отображает остов белка лентами" #~ msgid "Ring" #~ msgstr "Цикл" #~ msgid "Renders rings with colored planes" #~ msgstr "Отображает циклы разноцветными плоскостями" #~ msgid "Simple Wireframe" #~ msgstr "Простой каркас" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Отображает связи каркасом, идеально подходит для больших молекул" #~ msgid "Van der Waals Spheres" #~ msgstr "Сферы Ван дер Ваальса" #~ msgid "Stick" #~ msgstr "Стержни" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Поверхность электронной плотности, предел = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, изоповерхность = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Отображает связи как каркас, отлично подходит для очень больших " #~ "(био)молекул" #~ msgid "Trajectory files" #~ msgstr "Файлы траекторий" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Файлы HISTORY DL-POLY" #~ msgid "Open Trajectory File" #~ msgstr "Открытие файла траектории" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Добавление расширения .avi" #~ msgid "Animation..." #~ msgstr "Анимация..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Невозможно определить формат файла %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Не удалось прочитать файл траектории %1." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Нужно указать правильное имя .avi файла" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "GL виджеты не были правильно инициализированы для сохранения видео" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "Неправильное имя видеофайла. Имя должно содержать полный путь" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Неправильное имя видеофайла. Имя должно содержать полный путь и название, " #~ "оканчивающееся на .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Не удалось определить формат по названию файла: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Анимировать траектории, реакции и колебания" #~ msgid "Cartesian Editor" #~ msgstr "Редактор декартовых координат..." #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Для молекулы не определена элементарная ячейка, поэтому использовать " #~ "дробные координаты невозможно" #~ msgid "Cartesian Editor..." #~ msgstr "Редактор декартовых координат..." #~ msgid "Cartesian editor" #~ msgstr "Редактор декартовых координат" #~ msgid "Number of atoms: %1" #~ msgstr "Количество атомов: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Число связей с вращением: %1" #~ msgid "Add constraint" #~ msgstr "Добавить ограничение" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "В вашей молекуле должен быть как минимум один атом для добавления " #~ "ограничения" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "В вашей молекуле должно быть как минимум два атома для добавления " #~ "ограничения связи" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "В вашей молекуле должно быть как минимум три атома для добавления " #~ "ограничения угла" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "В вашей молекуле должно быть как минимум четыре атома для добавления " #~ "ограничения двугранного угла" #~ msgid "&Crystallography" #~ msgstr "Кристаллография" #~ msgid "&Length Unit" #~ msgstr "Единица длины" #~ msgid "&Angle Unit" #~ msgstr "Единица угла" #~ msgid "Show &Editors" #~ msgstr "Показать &Редакторы" #~ msgid "Hide &Property Display" #~ msgstr "Спрятать Диалог &Свойств" #~ msgid "Show &Property Display" #~ msgstr "Показать Диалог &Свойств" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Тип решётки: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Объём элементарной ячейки: %L1%2" #~ msgid "Undefined" #~ msgstr "Не определено" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Триклинная" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Моноклинная" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Орторомбическая" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Тетрагональная" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Гексагональная" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Кубическая" #~ msgid "Paste Crystal" #~ msgstr "Вставить кристалл" #~ msgid "&Bohr" #~ msgstr "Бор" #~ msgid "&Nanometer" #~ msgstr "Нанометр" #~ msgid "&Picometer" #~ msgstr "Пикометр" #~ msgid "&Degree" #~ msgstr "Градус" #~ msgid "&Radian" #~ msgstr "Радиан" #~ msgid "Crystallography" #~ msgstr "Кристаллография" #~ msgid "VASP Format\n" #~ msgstr "Формат VASP\n" #~ msgid "Cartesian Coordinates" #~ msgstr "Декартовы координаты" #~ msgid "Working..." #~ msgstr "Идёт работа..." #~ msgid "Build" #~ msgstr "Сборка" #~ msgid "Please select one or more atoms." #~ msgstr "Пожалуйста, выберите один или несколько атомов." #~ msgid "Trajectory..." #~ msgstr "Траектория..." #~ msgid "Open chemical file format" #~ msgstr "Открыть файл химического формата" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Химические файлы (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Открыть файл параметров" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Химические файлы (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Импортировать траекторию" #~ msgid "Import trajectory files" #~ msgstr "Импортировать файлы траекторий" #~ msgid "Calculate Energy" #~ msgstr "Рассчитать энергию" #~ msgid "Conformer Search..." #~ msgstr "Поиск конформеров" #~ msgid "Constraints..." #~ msgstr "Ограничения..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Не удалось использовать выбранное силовое поле для данной молекулы. " #~ "Переключаюсь на UFF." #~ msgid "Systematic Rotor Search" #~ msgstr "Систематический поиск внутренних вращений" #~ msgid "Random Rotor Search" #~ msgstr "Случайный поиск внутренних вращений" #~ msgid "Weighted Rotor Search" #~ msgstr "Средневзвешенный поиск внутренних вращений" #~ msgid "ForceField" #~ msgstr "Силовое поле" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Оптимизировать молекулы и выбрать конформеры, используя " #~ "молекулярномеханические силовые поля" #~ msgid "&Vector Graphics..." #~ msgstr "Векторная графика..." #~ msgid "Common vector image formats" #~ msgstr "Распространенные форматы векторной графики" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Экспорт в формате векторной графики" #~ msgid "Change H to Methyl" #~ msgstr "Заменить H на метил" #~ msgid "H to Methyl" #~ msgstr "H на метил" #~ msgid "H2Methyl" #~ msgstr "H2Метил" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Превратить атомы водорода в метильные группы" #~ msgid "Add or remove hydrogens" #~ msgstr "Добавить или удалить атомы водорода" #~ msgid "Peptide..." #~ msgstr "Пептид..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Вставить олигопептидную последовательность" #~ msgid "Invert Chirality" #~ msgstr "Инвертировать хиральность" #~ msgid "InvertChiral" #~ msgstr "Инверсия хиральности" #~ msgid "Invert chiral centers" #~ msgstr "Инверсия центров хиральности" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "неизвестно" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Оценочный дипольный момент (Д):" #~ msgid "Fetch by chemical name..." #~ msgstr "Загрузить по названию..." #~ msgid "Fetch from URL..." #~ msgstr "Загрузить по URL..." #~ msgid "PDB Entry" #~ msgstr "Запись PDB" #~ msgid "PDB entry to download." #~ msgstr "Запись PDB для загрузки" #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL молекулы для загрузки" #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Данная молекула не может быть загружена: %1" #~ msgid "Network Fetch" #~ msgstr "Загрузка по сети" #~ msgid "Fetch molecule files over the network." #~ msgstr "Скачать файлы молекул по сети" #~ msgid "Show Preview" #~ msgstr "Предпросмотр" #~ msgid "Hide Preview" #~ msgstr "Скрыть предпросмотр" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Сохранить визуализированное изображение, созданное POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Файлы изображений (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Не указано корректное имя фала." #~ msgid "Does not compute." #~ msgstr "Не вычислять." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Вы попросили не использовать прямую визуализацию в POV-Ray и не сохранять " #~ "файл POV-Ray. Это приведет к тому, что результаты не будут сохранены. Вы " #~ "уверены, что это то, что вы хотите?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Не удается записать файл %1. У вас есть разрешение на запись по " #~ "указанному адресу?" #~ msgid "POV-Ray failed to start." #~ msgstr "Не удалось запустить POV-Ray." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "Не удалось запустить POV-Ray. Возможно, путь к исполняемому файлу указан " #~ "неправильно." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Создать файлы POV-Ray и визуализировать их, используя консольную " #~ "программу POV-Ray." #~ msgid "Conformer Properties..." #~ msgstr "Свойства конформеров..." #~ msgid "Python Terminal" #~ msgstr "Терминал Python" #~ msgid "pythonTerminalDock" #~ msgstr "Док терминала python" #~ msgid "Interactive python scripting terminal" #~ msgstr "Интерактивный терминал для сценариев Python" #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Предупреждение генератора входных файлов Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Вы хотите обновить текст входного файла Dalton, теряя все изменения, " #~ "сделанные на панели предпросмотра?" #~ msgid "QM Matches" #~ msgstr "QM соответствует" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Фрагмент EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Фрагмент QM..." #~ msgid "Delete" #~ msgstr "Удалить" #~ msgid "You must make a selection!" #~ msgstr "Вы должны создать выделение!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Недоступно преобразование из SMILES" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Недоступно преобразование из SMILES!" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "ЭСП" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Создать входные файлы для квантовохимического пакета GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Изменены расширенные настройки" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Изменены расширенные настройки.\n" #~ "Отменить?" #~ msgid "Advanced Settings Reset" #~ msgstr "Сброс расширенных настроек" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Вы уверены, что хотите сбросить расширенные настройки?\n" #~ "Все изменения будут потеряны!" #~ msgid "Basic Settings Reset" #~ msgstr "Сброс основных настроек" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Вы уверены, что хотите сбросить основные настройки?\n" #~ "Все изменения будут потеряны!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Предупреждение генератора входных файлов GAMESS-UK" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Вы хотите обновить текст входного файла GAMESS-UK, потеряв все изменения, " #~ "сделанные на панели предпросмотра?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Входной файл GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Предупреждение генератора входных файлов Gaussian" #~ msgid "Gaussian Input Deck" #~ msgstr "Входной файл Gaussian" #~ msgid "Gaussian Running." #~ msgstr "Gaussian запущен." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "Gaussian уже запущен. Подождите, пока закончится предыдущий расчет." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian не установлен." #~ msgid "The G03 executable, cannot be found." #~ msgstr "Исполняемый файл G03 не найден." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "Не удалось запустить G03. Возможно, он установлен неправильно." #~ msgid "Running Gaussian calculation..." #~ msgstr "Проводится расчет Gaussian..." #~ msgid "G03 Crashed." #~ msgstr "Работа G03 завершилась аварийно." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian завершил работу некорректно. Возможно, он установлен неправильно." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Предупреждение генератора входных файлов Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Вы действительно хотите обновить текст, потеряв все изменения, внесенные " #~ "в области предварительного просмотра?" #~ msgid "Molpro Input Deck" #~ msgstr "Входной файл Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Предупреждение генератора входных файлов MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Входной файл MOPAC" #~ msgid "MOPAC Running." #~ msgstr "Идет расчет в MOPAC." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC уже запущен. Подождите завершения предыдущего расчета." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC не установлен" #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Исполняемый файл MOPAC не найден" #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC не запустился. Возможно, он установлен не правильно." #~ msgid "Running MOPAC calculation..." #~ msgstr "Идет расчет в MOPAC..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC завершился некорректно." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC не был запущен правильно. Возможно, он неправильно установлен." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Предупреждение генератора входных файлов NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Вы хотите обновить текст входного файла NWChem, теряя все изменения, " #~ "сделанные на панели предпросмотра?" #~ msgid "NWChem Input Deck" #~ msgstr "Входной файл NWChem" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Предупреждение генератора входных файлов Q-Chem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Вы хотите обновить текст входного файла Q-Chem, теряя все изменения, " #~ "сделанные на панели предпросмотра?" #~ msgid "QChem Input Deck" #~ msgstr "Входной файл QChem" #~ msgid "Select SMARTS..." #~ msgstr "Выделить SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Добавить именованное выделение..." #~ msgid "SMARTS Selection" #~ msgstr "Выделить SMILES" #~ msgid "SMARTS pattern to select" #~ msgstr "Выделить фрагмент, отвечающий SMILES" #~ msgid "There is no current selection." #~ msgstr "Ничего не выделено" #~ msgid "Add Named Selection" #~ msgstr "Добавить именованное выделение" #~ msgid "Name cannot be empty." #~ msgstr "Имя не может быть пустым" #~ msgid "There is already a selection with this name." #~ msgstr "Выделение с этим именем уже существует" #~ msgid "Selections" #~ msgstr "Выделение" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Выделить атомы, связи, аминокислотные остатки..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL шейдеры..." #~ msgid "Open a vertex shader source file" #~ msgstr "Открыть исходный файл вершинного шейдера" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Файлы вершинных шейдеров (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "открыть исходный файл пиксельного шейдера" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Файлы шейдеров фрагментов (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Открыть файл параметров шейдеров" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Файл параметров шейдеров (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL шейдеры" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Загрузить и использовать GLSL шейдеры OpenGL 2.0" #~ msgid "Intensity (arb. units)" #~ msgstr "Интенсивность (у.е.)" #~ msgid "Density of States (states/cell)" #~ msgstr "Плотность состояний (сост./ячейку)" #~ msgid "Density of States (states/atom)" #~ msgstr "Плотность состояний (сост./атом)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Плотность состояний (состояний/валентный электрон)" #~ msgid "Transmittance (%)" #~ msgstr "Пропускание T(%)" #~ msgid "Absorbance (%)" #~ msgstr "Поглощение A(%)" #~ msgid "No intensities" #~ msgstr "Без интенсивностей" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Информация о колебаниях данной молекулы не содержит интенсивностей. Для " #~ "визуализации будут использованы произвольные значения интенсивностей" #~ msgid "Activity" #~ msgstr "Активности" #~ msgid "X Axis" #~ msgstr "Ось X" #~ msgid "Y Axis" #~ msgstr "Ось Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Настройки &ИК спектра" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "ЯМР" #~ msgid "&NMR Spectra Settings" #~ msgstr "Настройки ЯМР спектров" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "Плотность состояний" #~ msgid "&UV Settings" #~ msgstr "Настройки &УФ" #~ msgid "&CD Settings" #~ msgstr "Настройки &КД" #~ msgid "&Raman Settings" #~ msgstr "Настройки &КР" #~ msgid "No data" #~ msgstr "Нет данных" #~ msgid "Dark" #~ msgstr "Темный" #~ msgid "Publication" #~ msgstr "Публикация" #~ msgid "Handdrawn" #~ msgstr "От руки" #~ msgid "New Scheme" #~ msgstr "Новая схема" #~ msgid "Confirm Scheme Removal" #~ msgstr "Подтвердить удаление схемы" #~ msgid "Really remove current scheme?" #~ msgstr "Действительно удалить данную схему?" #~ msgid "Change Scheme Name" #~ msgstr "Изменить название схемы" #~ msgid "Enter new name for current scheme:" #~ msgstr "Введите новое название для данной схемы:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Значения, разделенные табуляциями (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Значения, разделенные табуляциями" #~ msgid "Comma Separated Values" #~ msgstr "Значения, разделенные запятыми" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Неизвестное расширение: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "IR спектр из PWscf (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "IR спектр из Turbomole (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "УФ спектр из Turbomole (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "КД спектр из Turbomole (control)" #~ msgid "Data Format" #~ msgstr "Формат данных" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Формат:" #~ msgid "Load Spectral Data" #~ msgstr "Загрузить спектры" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "CD-файл Turbomole имеет неправильный формат : %1" #~ msgid "Portable Network Graphics" #~ msgstr "Переносимая сетевая графика (PNG)" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Размеченный формат файлов изображений (TIFF)" #~ msgid "Windows Bitmap" #~ msgstr "Растровое изображение Windows" #~ msgid "Portable Pixmap" #~ msgstr "Портативное растровое изображение (PPM)" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "Сохранить спектр как изображение" #~ msgid "&Advanced <<" #~ msgstr "&Дополнительно <<" #~ msgid "&Advanced >>" #~ msgstr "&Дополнительно >>" #~ msgid "&Spectra..." #~ msgstr "&Спектры..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Визуализировать спектральные данные из квантовохимических расчетов" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Колебательный анализ" #~ msgid "No vibrational displacements exist." #~ msgstr "Колебательные смещения отсутствуют" #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Показать колебательные моды из квантовохимического расчета" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Сортировка %1 колебаний по частоте..." #~ msgid "Pause" #~ msgstr "Пауза" #~ msgid "Super Cell Builder..." #~ msgstr "Построение надъячейки..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Сейчас в этом документе изолированная молекула. Вам нужно создать " #~ "элементарную ячейку." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Строит и отображает кристаллографические надъячейки" #~ msgid "Molecular Orbitals..." #~ msgstr "Молекулярные орбитали..." #~ msgid "Orbitals" #~ msgstr "Орбитали" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Пустой" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Ван-дер-Ваальсовы сферы" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Электронная плотность" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Ошибка — не определен тип" #~ msgid "Calculating VdW Cube" #~ msgstr "Расчет куба Ван-дер-Ваальса" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Расчет МО %L1" #~ msgid "VdW" #~ msgstr "Ван-дер-Ваальс" #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Рассчитать молекулярные орбитали и другие поверхности" #~ msgid "Building..." #~ msgstr "Сборка..." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "Невозможно создать видео, т.к. виджет GL не инициализировался корректно" #~ msgid "GL widget has no molecule" #~ msgstr "В GL-виджете отсутствует молекула" #~ msgid "Building video " #~ msgstr "Создание видео " #~ msgid "Could not run mencoder." #~ msgstr "Не удалось запустить mencoder" #~ msgid "Set Aspect Ratio" #~ msgstr "Соотношение сторон" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Текущее изображение в Avogadro имеет размер %1x%2 пикселей, и соотношение " #~ "сторон составляет %3.\n" #~ "Вы можете оставить это значение, например, если хотите получить с помощью " #~ "POV-Ray\n" #~ "изображение размером %4x1000 пикселей, или введите любое положительное " #~ "число, например 1,\n" #~ "если хотите получить с помощью POV-Ray квадратное изображение, например, " #~ "1000x1000 пикселей." #~ msgid "Connect" #~ msgstr "Соединить" #~ msgid "Disconnect" #~ msgstr "Разъединить" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Отслеживание Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Движение выполняется с помощью пультов Wii" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Неправильный контекст OpenGL.\n" #~ "Либо что-то нарушено в вашей инсталляции OpenGL (вы можете запустить " #~ "какое-нибудь OpenGL-приложение?), либо вы нашли ошибку в программе." #~ msgid "Debug Information" #~ msgstr "Отладочная информация" #~ msgid "FPS: %L1" #~ msgstr "Кадров в секунду: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Размер окна просмотра: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Атомы: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: номер %1 недостижим." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Чтение типа файлов '%1' не поддерживается" #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Для типа файлов файла '%1' не поддерживается чтение." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Не удалось прочитать молекулу с номером %1 из файла '%2'." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "replaceMolecule: номер %1 недостижим." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Для типа файлов '%1' не поддерживается запись." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Для типа файлов файла '%1' не поддерживается запись." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Не удалось открыть файл '%1' для чтения." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Замена молекулы с номером %1 в файле '%2' не удалась." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Файл %1 не может быть открыт для чтения." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Файл %1 не может быть открыт для записи" #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Не удалось сохранить файл молекулы - не получилось переименовать " #~ "исходный файл." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Не удалось сохранить файл молекулы - не получилось переименовать новый " #~ "файл." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Не удалось сохранить файл молекулы - не получилось удалить старый файл." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "Не удалось записать молекулу в файл '%1'. Ошибка функции OpenBabel." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Файл %1не может быть открыт для записи." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Не удалось записать конформеры в файл '%1'." #~ msgid "Molecule %1" #~ msgstr "Молекула %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Неизвестный движок Python" #~ msgid "N/A" #~ msgstr "Н/Д" #~ msgid "PythonEngine: checking " #~ msgstr "Движок на Python: проверка " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - в сценарии не определен класс 'Engine'" #~ msgid " - no module" #~ msgstr " - нет модуля" #~ msgid "Unknown Python Extension" #~ msgstr "Неизвестное расширение Python" #~ msgid "PythonExtension: checking " #~ msgstr "Расширение на Python: проверка " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - в сценарии не определен класс 'Extension'" #~ msgid "Unknown Python Tool" #~ msgstr "Неизвестный инструмент на Python" #~ msgid "PythonTool: checking " #~ msgstr "Инструмент на Python: проверка " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - в сценарии не определен класс 'Tool'" #~ msgid "Tools" #~ msgstr "Инструменты" #~ msgid "Align:" #~ msgstr "Выровнять:" #~ msgid "Everything" #~ msgstr "Всё" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Невозможно установить силовое поле" #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Количество ограничений: %1" #~ msgid "Steps per Update:" #~ msgstr "Шагов до обновления:" #~ msgid "Algorithm:" #~ msgstr "Алгоритм:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Молекулярная динамика (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Молекулярная динамика (900K)" #~ msgid "Start" #~ msgstr "Начать" #~ msgid "Fixed atoms are movable" #~ msgstr "Закреплённые атомы могут перемещаться" #~ msgid "Ignored atoms are movable" #~ msgstr "Игнорируемые атомы могут перемещаться" #~ msgid "AutoOpt Molecule" #~ msgstr "Автооптимизация молекулы" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Автоматическая оптимизация геометрии молекулы" #~ msgid "AutoOptimization Settings" #~ msgstr "Настройки автооптимизации" #~ msgid "Auto Rotation Tool" #~ msgstr "Инструмент автоматического вращения" #~ msgid "x rotation:" #~ msgstr "вращение по оси Х:" #~ msgid "x rotation" #~ msgstr "вращение по оси Х:" #~ msgid "y rotation:" #~ msgstr "вращение по оси Y:" #~ msgid "y rotation" #~ msgstr "вращение по оси Y:" #~ msgid "z rotation:" #~ msgstr "вращение по оси Z:" #~ msgid "z rotation" #~ msgstr "вращение по оси Z:" #~ msgid "Automatic rotation of molecules" #~ msgstr "Автоматическое вращение молекул" #~ msgid "AutoRotate Settings" #~ msgstr "Настройки автоматического вращения" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Длина связи: %L1" #~ msgid " Show Angles" #~ msgstr " Показать углы" #~ msgid "Snap-to Threshold: " #~ msgstr "Порог привязки: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Перемещение связей" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Изменение длин связей, углов и двугранных углов" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Настройки перемещения связей" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Расстояние (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Расстояние (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Двуганный угол: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Расстояние(я):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Измерение длин связей, углов и двугранных углов" #~ msgid "Draw Bond" #~ msgstr "Нарисовать связь" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Рисование и правка атомов и связей" #~ msgid "Draw Settings" #~ msgstr "Настройки рисования" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Перемещение, поворот и подгонка атомов и фрагментов" #~ msgid "Manipulate Settings" #~ msgstr "Настройки перемещения" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Перемещение, поворот и масштабирование текущего окна просмотра" #~ msgid "Navigate Settings" #~ msgstr "Настройки навигации" #~ msgid "Selection Mode:" #~ msgstr "Режим выделения:" #~ msgid "Atom/Bond" #~ msgstr "Атом/Связь" #~ msgid "Residue" #~ msgstr "Аминокислотный остаток" #~ msgid "Change color of the atom" #~ msgstr "Изменить цвет атома" #~ msgid "Change label of the atom" #~ msgstr "Изменить надпись на атоме" #~ msgid "Change label of the bond" #~ msgstr "Изменить надпись на связи" #~ msgid "Change radius of the atom" #~ msgstr "Изменить радиус атома" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Новый радиус, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Выделение атомов, аминокислотных остатков и молекул" #~ msgid "Symbol" #~ msgstr "Символ" #~ msgid "Bond Length" #~ msgstr "Длина связи" #~ msgid "Dihedral Angle" #~ msgstr "Двугранный угол" #~ msgid "Z Matrix Editor..." #~ msgstr "Редактор Z-матриц" #~ msgid "Z-Matrix" #~ msgstr "Z-матрица" #~ msgid "Create/edit a z-matrix" #~ msgstr "Создать/редактировать Z-матрицу" #~ msgid "Z-Matrix Settings" #~ msgstr "Настройки Z-матрицы" #~ msgid "Color residues by:" #~ msgstr "Раскрашивать остатки:" #~ msgid "Hydrophobicity" #~ msgstr "Гидрофобность" #~ msgid "Axes:" #~ msgstr "Оси:" #~ msgid "Cartesian Axes" #~ msgstr "Декартовы оси" #~ msgid "Orthogonal Axes" #~ msgstr "Ортогональные оси" #~ msgid "Axis 1:" #~ msgstr "Ось 1:" #~ msgid "Axis 2:" #~ msgstr "Ось 2:" #~ msgid "Axis 3:" #~ msgstr "Ось 3:" #~ msgid "Norm" #~ msgstr "Норма" #~ msgid "Preserve vector norms" #~ msgstr "Сохранять нормы векторов" #~ msgid "Atom Radius:" #~ msgstr "Радиус атома:" #~ msgid "Bond Radius:" #~ msgstr "Радиус связи:" #~ msgid "Shape" #~ msgstr "Форма" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Петля" #~ msgid "Dipole:" #~ msgstr "Диполь:" #~ msgid "Custom Vector" #~ msgstr "Произвольный вектор" #~ msgid "Custom:" #~ msgstr "Произвольный:" #~ msgid "Cut-off radius:" #~ msgstr "Предельный радиус:" #~ msgid "Cut-off angle:" #~ msgstr "Предельный угол:" #~ msgid "Rendering Engine:" #~ msgstr "Движок визуализации:" #~ msgid "TextRenderer" #~ msgstr "TextRenderer" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Текст:" #~ msgid "Symbol & Number in Group" #~ msgstr "Символ и номер в группе" #~ msgid "Symbol & Atom number" #~ msgstr "Символ и номер атома" #~ msgid "Residue number" #~ msgstr "Номер аминокислотного остатка" #~ msgid "Custom data" #~ msgstr "Произвольная информация" #~ msgid "Change Font" #~ msgstr "Сменить шрифт" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Сдвиг надписи:" #~ msgid "Bond length" #~ msgstr "Длина связи" #~ msgid "Bond number" #~ msgstr "Номер связи" #~ msgid "Bond order" #~ msgstr "Порядок связи" #~ msgid "Lines" #~ msgstr "Линии" #~ msgid "Radius:" #~ msgstr "Радиус:" #~ msgid "Include Nitrogens" #~ msgstr "Включить атомы азота" #~ msgid "VdW Opacity:" #~ msgstr "Непрозрачность ван-дер-ваальсовых поверхностей" #~ msgid "Orbital:" #~ msgstr "Орбиталь:" #~ msgid "Render:" #~ msgstr "Визуализатор:" #~ msgid "Fill" #~ msgstr "Заливка" #~ msgid "Points" #~ msgstr "Точки" #~ msgid "Draw Box:" #~ msgstr "Нарисовать ячейку:" #~ msgid "Style:" #~ msgstr "Стиль:" #~ msgid "Mapped Colors" #~ msgstr "Табличные цвета" #~ msgid "Positive" #~ msgstr "Положительная" #~ msgid "Negative" #~ msgstr "Отрицательная" #~ msgid "Show Atoms" #~ msgstr "Показать атомы" #~ msgid "Animate Trajectory" #~ msgstr "Анимировать траекторию" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Зациклить" #~ msgid "Save as .avi..." #~ msgstr "Сохранить как .avi..." #~ msgid "Angstroms" #~ msgstr "Ангстремы" #~ msgid "Bohrs" #~ msgstr "Боры" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, только координаты" #~ msgid "GAMESS Input #2" #~ msgstr "Входной файл GAMESS #2" #~ msgid "Priroda Input" #~ msgstr "Входной файл Priroda" #~ msgid "Apply Changes" #~ msgstr "Применить изменения" #~ msgid "Cut All" #~ msgstr "Вырезать всё" #~ msgid "Paste to the End" #~ msgstr "Вставить в конце" #~ msgid "(None)" #~ msgstr "(Нет)" #~ msgid "Sort by " #~ msgstr "Сортировать по " #~ msgid "Number of atoms:" #~ msgstr "Число атомов:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Число вращаемых связей" #~ msgid "Add Constraints" #~ msgstr "Добавить ограничения" #~ msgid "Ignore Atom" #~ msgstr "Игнорировать атом" #~ msgid "Fix Atom" #~ msgstr "Зафиксировать атом" #~ msgid "Fix Atom X" #~ msgstr "Зафиксировать координату X атома" #~ msgid "Fix Atom Y" #~ msgstr "Зафиксировать координату Y атома" #~ msgid "Fix Atom Z" #~ msgstr "Зафиксировать координату Z атома" #~ msgid "Torsion angle" #~ msgstr "Двугранный угол" #~ msgid "Add" #~ msgstr "Добавить" #~ msgid "Save" #~ msgstr "Сохранить" #~ msgid "Load" #~ msgstr "Загрузить" #~ msgid "Plane:" #~ msgstr "Плоскость:" #~ msgid "Width (x)" #~ msgstr "Ширина (x)" #~ msgid "Width (y)" #~ msgstr "Ширина (y)" #~ msgid "Height (z)" #~ msgstr "Высота (z)" #~ msgid "length" #~ msgstr "длина" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "Cartesian" #~ msgstr "Декартовы" #~ msgid "One" #~ msgstr "Один" #~ msgid "All" #~ msgstr "Все" #~ msgid "Color..." #~ msgstr "Цвет..." #~ msgid "Default View" #~ msgstr "Вид по умолчанию" #~ msgid "File Import..." #~ msgstr "импорт файла..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Попытаться распознать связи?" #~ msgid "Setup Force Field" #~ msgstr "Настроить силовое поле" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Число шагов" #~ msgid "Algorithm" #~ msgstr "Алгоритм" #~ msgid "Alanine" #~ msgstr "Аланин" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Аргинин" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Аспарагин" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "Аспарагиновая кислота" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Цистеин" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "Глутаминовая кислота" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Глутамин" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Глицин" #~ msgid "Gly" #~ msgstr "Gly" #~ msgid "Histidine" #~ msgstr "Гистидин" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "Изолейцин" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyrosine" #~ msgstr "Тирозин" #~ msgid "Tyr" #~ msgstr "Tyr" #~ msgid "Tryptophan" #~ msgstr "Триптофан" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "Треонин" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "Серин" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Пролин" #~ msgid "Phenylalanine" #~ msgstr "Фенилаланин" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "Метионин" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Лизин" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "Лейцин" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "Последовательность (от N к C):" #~ msgid "Stereochemistry:" #~ msgstr "Стереохимия:" #~ msgid "L" #~ msgstr "L" #~ msgid "N Terminus:" #~ msgstr "N-конец:" #~ msgid "C Terminus:" #~ msgstr "C-конец:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Straight Chain" #~ msgstr "Развернутая цепь" #~ msgid "Alpha Helix" #~ msgstr "Альфа-спираль" #~ msgid "Beta Sheet" #~ msgstr "Бета-лист" #~ msgid "Pi Helix" #~ msgstr "Пи-спираль" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "Chain Number:" #~ msgstr "Номер цепи:" #~ msgid "The chain number for the new peptide" #~ msgstr "Номер цепи для нового пептида" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Количество аминокислотных остатков:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Энергия (кДж/моль)" #~ msgid "Dipole Moment (D):" #~ msgstr "Дипольный момент (Д)" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Дополнительно" #~ msgid "Grid" #~ msgstr "Сетка интегрирования" #~ msgid "POV-Ray Export" #~ msgstr "Экспорт в POV-Ray" #~ msgid "Select..." #~ msgstr "Выбрать..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Использовать сглаживание для всего изображения" #~ msgid "Antialias" #~ msgstr "Сглаживание" #~ msgid "Set the background color to be transparent" #~ msgstr "Установить прозрачный цвет фона" #~ msgid "Alpha transparency" #~ msgstr "Альфа-прозрачность" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "" #~ "Визуализировать молекулу, используя интерфейс командной строки POV-Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Сохранить входной файл POV-Ray после завершения визуализации" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Сохранить входной файл POV-Ray после визуализации" #~ msgid "Path:" #~ msgstr "Путь:" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Декартовый (Ангстрем)" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Compute..." #~ msgstr "Рассчитать…" #~ msgid "Basics" #~ msgstr "Основное" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Добавляет то, что вы набираете в строку заголовка входного файла\n" #~ "для информации" #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Попловские" #~ msgid "Jensen's polarization consistent" #~ msgstr "Поляризационно-согласованные Йенсена" #~ msgid "Dunning's correlation consistent" #~ msgstr "Корреляционно-согласованные Даннинга" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Функции корреляции внутренних электронов" #~ msgid "Diffuse functions" #~ msgstr "Диффузные функции" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Прямой" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Выполнять параллельно по возможности. Это возможно только для\n" #~ "волновых функций SCF и расчётов DFT. На данный момент Dalton \n" #~ "поддерживает только MPI и должен быть корректно собран и установлен.\n" #~ "Число узлов задается ключом \"-N #\" при запуске скрипта \"dalton\"." #~ msgid "Parallel" #~ msgstr "Параллельный" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0e-" #~ msgid "Grid Specification" #~ msgstr "Сетка" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Качество сетки:" #~ msgid "coarse" #~ msgstr "грубая" #~ msgid "normal" #~ msgstr "нормальная" #~ msgid "fine" #~ msgstr "хорошая" #~ msgid "ultrafine" #~ msgstr "очень хорошая" #~ msgid "Radial Scheme:" #~ msgstr "Радиальная схема:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Показать все функционалы" #~ msgid "Property:" #~ msgstr "Свойство:" #~ msgid "Polarizability" #~ msgstr "Поляризуемость" #~ msgid "Frequency Dependent" #~ msgstr "Частотно-зависимый" #~ msgid "EFP Matches" #~ msgstr "EFP соответствия" #~ msgid "Group Label:" #~ msgstr "Метка группы:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "Расширенные настройки" #~ msgid "Hessian" #~ msgstr "Гессиан" #~ msgid "Stat Point" #~ msgstr "Стационарная точка" #~ msgid "System" #~ msgstr "Система" #~ msgid "MO Guess" #~ msgstr "Начальное приближение МО" #~ msgid "Misc" #~ msgstr "Прочее" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "Количество поляризационных функций D на тяжелых атомах" #~ msgid "Read" #~ msgstr "Прочитать" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Диффузная S-функция на тяжелых атомах" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Диффузная L-функция на тяжелых атомах" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Двухэкспоненциальный валентный" #~ msgid "Dunning/Hay DZ" #~ msgstr "Даннинг/Хэй DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Трехэкспоненциальный валентный" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA валентный" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt валентный" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Тип ECP:" #~ msgid "Default" #~ msgstr "По умолчанию" #~ msgid "Pople" #~ msgstr "Попл" #~ msgid "Pople N311" #~ msgstr "Попл N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "Поляризационных функций F на тяжелых атомах" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "Поляризационных функций на легких атомах" #~ msgid "Polar:" #~ msgstr "Полярный:" #~ msgid "Max SCF Iterations:" #~ msgstr "Максимум итераций SCF:" #~ msgid "Gradient" #~ msgstr "Градиент" #~ msgid "Saddle Point" #~ msgstr "Седловая точка" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Момент излучательного перехода" #~ msgid "Spin Orbit" #~ msgstr "Спин-орбитальное взаимодействие" #~ msgid "Finite Electric Field" #~ msgstr "Конечное электрическое поле" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Полная оптимизация" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO оптимизация" #~ msgid "Raman Intensities" #~ msgstr "Рамановские интенсивности" #~ msgid "Make EFP" #~ msgstr "Сделать EFP" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Отсутствует" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Тип SCF:" #~ msgid "Localization Method:" #~ msgstr "Метод локализации:" #~ msgid "Exec Type:" #~ msgstr "Режим запуска:" #~ msgid "CI:" #~ msgstr "CI" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Детерминант Ames (ALDET)" #~ msgid "Full Second Order CI" #~ msgstr "Полное КВ второго порядка (FSOCI)" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Линаризованный CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC с двукратными возбуждениями" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC с одно- и двукратными возбуждениями" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Нормальный запуск" #~ msgid "Check" #~ msgstr "Проверка" #~ msgid "Debug" #~ msgstr "Отладка" #~ msgid "Run Type:" #~ msgstr "Тип расчета:" #~ msgid "Use MP2" #~ msgstr "Использовать MP2" #~ msgid "Use DFT" #~ msgstr "Использовать DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "число переменных Z-матрицы" #~ msgid "Ǻngstrom" #~ msgstr "Ангстрем" #~ msgid "Order of Principal Axis:" #~ msgstr "Порядок главной оси:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "Cs" #~ msgid "CI" #~ msgstr "Ci" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "Dnd" #~ msgid "DnH" #~ msgstr "Dnh" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "Td" #~ msgid "TH" #~ msgstr "Th" #~ msgid "OH" #~ msgstr "Oh" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Уникальные декартовы координаты" #~ msgid "Hilderbrant internals" #~ msgstr "Внутренние координаты Гильдербранта" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Использовать симметрию" #~ msgid "Point Group:" #~ msgstr "Точечная группа:" #~ msgid "Minutes" #~ msgstr "минут" #~ msgid "Hours" #~ msgstr "часов" #~ msgid "Days" #~ msgstr "дней" #~ msgid "Weeks" #~ msgstr "недель" #~ msgid "Years" #~ msgstr "лет" #~ msgid "Millenia" #~ msgstr "тысячелетий" #~ msgid "MegaWords" #~ msgstr "мегаслов" #~ msgid "MegaBytes" #~ msgstr "мегабайт" #~ msgid "GigaWords" #~ msgstr "гигаслов" #~ msgid "GigaBytes" #~ msgstr "гигабайт" #~ msgid "Force Parallel Methods" #~ msgstr "Использовать параллельные методы" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Создать core-файл при некорректном завершении" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "Якоби" #~ msgid "MemDDI:" #~ msgstr "Память DDI:" #~ msgid "Memory:" #~ msgstr "Память:" #~ msgid "Diagonalization Method:" #~ msgstr "Метод диагонализации:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Тип балансировки при параллельном выполнении" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Следующее значение" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Использовать внешнее представление данных для сообщений" #~ msgid "Hückel" #~ msgstr "Хюккель" #~ msgid "HCore" #~ msgstr "Голые ядра" #~ msgid "MO Read ($VEC)" #~ msgstr "Прочитать MO ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "Сохраненные MO (DICTNRY)" #~ msgid "Skip" #~ msgstr "Пропустить" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Повернуть альфа- и бета-орбитали" #~ msgid "Print the Initial Guess" #~ msgstr "Выводить начальное приближение" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Интерфейс GAMESS к другим программам" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Использовать режим проверки" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (Версия UK)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussian 9x" #~ msgid "Solvate with Water" #~ msgstr "Сольватировать водой" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Сгенерировать натуральные орбитали UHF" #~ msgid "Direct SCF" #~ msgstr "Прямое ССП" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Рассчитывать только изменения фокиана (FDIFF)" #~ msgid "Slater exchange" #~ msgstr "Slater (обменный)" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 (обменный)" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair (VWN5) (корреляционный)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr (корреляционный)" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater (обменный) + VWN (корреляционный)" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE (обменный) + VWN5 (корреляционный)" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE (обменный) + LYP (корреляционный)" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill 1996 (обменный)" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof (PBE) (обменный)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: однопараметрический прогрессивный (корреляционный)" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER (обменный) + Lee-Yang-Parr (LYP) (корреляционный)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER (обменный) + OP (корреляционный)" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE (обменный) + OP (корреляционный)" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL (обменный) + VWN5 (корреляционный)" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL (обменный) + LYP (корреляционный)" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE (обменный) + VWN6 (корреляционный)" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE (обменный) +LYP (корреляционный)" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE (обменный) + OP (корреляционный)" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF and BECKE (обменный) + LYP (корреляционный)" #~ msgid "Grid-Free" #~ msgstr "Безсеточный" #~ msgid "AO Integral Storage" #~ msgstr "Хранение интегралов АО" #~ msgid "Duplicated on Each Node" #~ msgstr "Дублировать на каждом узле" #~ msgid "Distributed Across All Nodes" #~ msgstr "Распределить по всем узлам" #~ msgid "words" #~ msgstr "слов" #~ msgid "Compute MP2 Properties" #~ msgstr "Вычислить свойства для MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Предел сохранения интегралов:" #~ msgid "Use Localized Orbitals" #~ msgstr "Использо" #~ msgid "# of Core Electrons:" #~ msgstr "Число внутренних электронов" #~ msgid "Two Phase Bin Sort" #~ msgstr "Двухфазная бинарная сортировка" #~ msgid "Segmented Transformation" #~ msgstr "Сегментное преобразование" #~ msgid "Numeric" #~ msgstr "Численный" #~ msgid "Double Differenced Hessian" #~ msgstr "С двойным численным дифференцированием" #~ msgid "Print Internal Force Constants" #~ msgstr "Вывести внутренние силовые постоянные" #~ msgid "Displacement Size:" #~ msgstr "Величина шага:" #~ msgid "Purify Hessian" #~ msgstr "Спроецировать гессиан" #~ msgid "bohrs" #~ msgstr "бор" #~ msgid "Initial Hessian" #~ msgstr "Начальный гессиан" #~ msgid "Read (from $HESS)" #~ msgstr "Прочитать (из $HESS)" #~ msgid "Update Step Size" #~ msgstr "Величина шага обновления" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Выводить орбитали на каждой итерации" #~ msgid "Stationary Point" #~ msgstr "Стационарная точка" #~ msgid "Initial:" #~ msgstr "Исходный:" #~ msgid "Newton-Raphson" #~ msgstr "Ньютона-Рафсона" #~ msgid "Rational Function Optimization" #~ msgstr "Рациональная функция" #~ msgid "Quadratic Approximation" #~ msgstr "Квадратичная аппроксимация" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Шлегель (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Оптимизация с ограничениями" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Пересчитывать гессиан каждые:" #~ msgid "Follow Mode:" #~ msgstr "Следовать колебательной моде..." #~ msgid "Basis:" #~ msgstr "Базис:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Z-матрица" #~ msgid "Run in direct mode:" #~ msgstr "Выполнять в прямом режиме:" #~ msgid "Gaussian Input" #~ msgstr "Входной файл Gaussian" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Обычная" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Контрольная точка:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-матрица (компактная)" #~ msgid "MOLPRO Input" #~ msgstr "Входной файл Molpro" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Версия Molpro:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "Quartet" #~ msgstr "Квартет" #~ msgid "Quintet" #~ msgstr "Квинтет" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Входной файл NWChem" #~ msgid "Q-Chem Input" #~ msgstr "Входной файл Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "no" #~ msgstr "нет" #~ msgid "yes" #~ msgstr "да" #~ msgid "Dispersion:" #~ msgstr "Рассеивание:" #~ msgid "Load Shaders" #~ msgstr "Загрузить шейдеры" #~ msgid "Shader Name:" #~ msgstr "Имя шейдера:" #~ msgid "Vertex Shader:" #~ msgstr "Вершинный шейдер:" #~ msgid "Fragment Shader:" #~ msgstr "Шейдер фрагмента:" #~ msgid "Assign Shader" #~ msgstr "Назначить шейдер" #~ msgid "Display Type:" #~ msgstr "Тип отображения:" #~ msgid "Font:" #~ msgstr "Шрифт:" #~ msgid "Change Font..." #~ msgstr "Сменить шрифт..." #~ msgid "Foreground:" #~ msgstr "Передний план:" #~ msgid "New..." #~ msgstr "Новая..." #~ msgid "Rename..." #~ msgstr "Переименовать..." #~ msgid "&Schemes:" #~ msgstr "&Схемы..." #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Ширина:" #~ msgid "&Height" #~ msgstr "&Высота" #~ msgid "cm" #~ msgstr "см" #~ msgid "mm" #~ msgstr "мм" #~ msgid "in" #~ msgstr "дюймов" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Выбрать оптимизированный размер шрифта вместо заданного в схеме (точки " #~ "экрана и изображения плохо согласуются!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Автоподбор размера &шрифта" #~ msgid "&Gaussian Width:" #~ msgstr "Ширина &гауссова пика:" #~ msgid "&Label peaks" #~ msgstr "&Подписи пиков" #~ msgid "Energy units:" #~ msgstr "Единицы энергии:" #~ msgid "Density units" #~ msgstr "Единицы плотности" #~ msgid "Fermi Energy: " #~ msgstr "Энергия Ферми: " #~ msgid "Fermi energy at zero" #~ msgstr "Энергия Ферми при нуле" #~ msgid "&Y Axis Units:" #~ msgstr "Единицы измерения по оси &Y:" #~ msgid "Scaling Type:" #~ msgstr "Тип масштабирования:" #~ msgid "Relative" #~ msgstr "Относительное" #~ msgid "Laser Wavenumber:" #~ msgstr "Длина волны лазера:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_ЯМР" #~ msgid "Gaussian &Width:" #~ msgstr "Ширина &гауссова пика:" #~ msgid "Reset &Plot Axes" #~ msgstr "Сбросить &оси графика:" #~ msgid "Label Peaks:" #~ msgstr "Подписи пиков:" #~ msgid "ppm" #~ msgstr "м.д." #~ msgid "Molecular Vibrations" #~ msgstr "Молекулярные колебания" #~ msgid "Filter: " #~ msgstr "Фильтр: " #~ msgid "km/mol" #~ msgstr "км/моль" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (см⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (км/моль)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Активность (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Показать спектры..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "" #~ "более высокочастотные колебания будут отображаться более быстрыми " #~ "движениями" #~ msgid "Animation speed set by frequency" #~ msgstr "Скорость анимации задается частотой" #~ msgid "Display force &vectors" #~ msgstr "Показать векторы &градиентов" #~ msgid "&Normalize displacements" #~ msgstr "Нормировать смещения" #~ msgid "&Recalculate All" #~ msgstr "Пересчитать &все" #~ msgid "Default &Quality:" #~ msgstr "Качество по &умолчанию" #~ msgid "Show occupied orbitals first" #~ msgstr "Показывать занятые первыми" #~ msgid "Surface Type:" #~ msgstr "Тип поверхности:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Низкое" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Среднее" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Высокое" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Наивысшее" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "В стиле отображения:" #~ msgid "New Display" #~ msgstr "Новый экран" #~ msgid "Advanced..." #~ msgstr "Дополнительно…" #~ msgid "&Length:" #~ msgstr "&Длина:" #~ msgid "Uni&t:" #~ msgstr "&Единица измерения:" #~ msgid "angstrom" #~ msgstr "ангстрем" #~ msgid "nanometers" #~ msgstr "нанометры" #~ msgid "Display visual cues" #~ msgstr "Показывать визуальные подсказки" #~ msgid "Python Settings" #~ msgstr "Настройки Python" #~ msgid "Z Matrix Editor" #~ msgstr "Редактор Z-матриц" avogadrolibs-1.100.0/i18n/sa.po000066400000000000000000007047461474375334400161070ustar00rootroot00000000000000# Translations for the Avogadro molecular builder. # Copyright (C) 2006-2020 The Avogadro Project # This file is distributed under the same license as the Avogadro package. # rahul bahuguna , 2021. msgid "" msgstr "" "Project-Id-Version: Avogadro 1.93.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2021-06-01 14:30+0000\n" "Last-Translator: rahul bahuguna \n" "Language-Team: Sanskrit \n" "Language: sa\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=3; plural=n==1 ? 0 : n==2 ? 1 : 2;\n" "X-Generator: Weblate 4.7-dev\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" msgstr[2] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "शीर्षकहीन" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" avogadrolibs-1.100.0/i18n/sk.po000066400000000000000000010024341474375334400161030ustar00rootroot00000000000000# Slovak translation for avogadro # Copyright (c) 2009 Rosetta Contributors and Canonical Ltd 2009 # This file is distributed under the same license as the avogadro package. # Ivan Masár , 2009. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-16 14:01+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Slovak \n" "Language: sk\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=3; plural=((n==1) ? 0 : (n>=2 && n<=4) ? 1 : 2);\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:02+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Zatvoriť" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Neznámy" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Vodík" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Hélium" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Lítium" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Berýlium" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Bór" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Uhlík" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Dusík" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Kyslík" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluór" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neón" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Sodík" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Horčík" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Hliník" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Kremík" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Síra" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Chlór" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argón" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Draslík" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Vápnik" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Skandium" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titánium" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanád" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Chróm" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Mangán" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Železo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nikel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Meď" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Zinok" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Gálium" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germánium" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arzén" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selén" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Bróm" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Kryptón" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubídium" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Stroncium" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Ytrium" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirkón" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niób" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molybdén" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Technécium" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Ruténium" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Ródium" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Paládium" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Striebro" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Kadmium" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Cín" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimón" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Telúr" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Jód" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xenón" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Bárium" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantán" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cér" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Prazeodým" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodým" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Prométium" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samárium" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Európium" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolínium" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Dysprózium" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Túlium" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Yterbium" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutécium" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Volfrám" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Rénium" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Irídium" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platina" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Zlato" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Ortuť" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Tálium" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Olovo" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bizmut" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polónium" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astát" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radón" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Rádium" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Aktínium" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Tórium" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protaktínium" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Urán" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptúnium" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutónium" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Amerícium" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkélium" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Kalifornium" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Roentgenium" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Kopernícium" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihónium" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Fleróvium" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moskóvium" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermórium" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tenés" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganesón" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Všetky súbory" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Názov" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 #, fuzzy msgid "Theory" msgstr "Teória" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Jednoduché" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Guľa a tyčinka" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Náčrtok" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Sila" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Označenie" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 #, fuzzy msgid "Van der Waals" msgstr "Van der Waalsove" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Drôtený model" #: qtgui/moleculemodel.cpp:92 #, fuzzy msgid "Untitled" msgstr "bez názvu" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodická Tabuľka" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Pridať Atóm" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Upravte Vodíky" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Zmeniť Prvok" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Zmeniť Prvok" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Pridať Väzby" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 #, fuzzy msgid "Clear Bonds" msgstr "Odstrániť Väzby" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 #, fuzzy #| msgid "&Settings" msgid "Settings" msgstr "Nastavenia" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Súbor" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 #, fuzzy msgid "&Export" msgstr "&Export" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Zostaviť" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Prvok:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Zarovnať" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Osa:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, fuzzy msgid "IO Error" msgstr "Chyba" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Chyba" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "Úspešné" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "Podľa Vlastné farby…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "Podľa Prvok" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy #| msgid "Color by Partial Charge" msgid "By Partial Charge…" msgstr "Podľa čiastkového náboja…" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Zobrazenie" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "Pridať Väzby" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Hlavný Reťazec" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Náčrtok" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Náčrtok" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 #, fuzzy msgid "Maximum distance:" msgstr "Maximálna vzdialenosť:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "Rozšírenia" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #, fuzzy msgid "Scripts" msgstr "Skripty" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 #, fuzzy #| msgid "Other..." msgid "Other…" msgstr "Ďaľšie…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Názov prvku." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Značka Prvku." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Atómové číslo." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 #, fuzzy msgid "X coordinate." msgstr "X súradnice." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 #, fuzzy msgid "Y coordinate." msgstr "Y súradnice." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 #, fuzzy msgid "Z coordinate." msgstr "Z súradnice." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 #, fuzzy msgid "Molecular Dynamics" msgstr "Molekulárna Dynamika" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 #, fuzzy msgid "Geometry Optimization" msgstr "Geometrická optimalizácia" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 #, fuzzy msgid "Molecular Mechanics" msgstr "Mechanika molekúl" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Kresliť" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Kresliť Atóm" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Vzdialenosť:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Jednoduchý" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Dvojitý" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Trojitý" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 #, fuzzy msgid "&Import" msgstr "&Import" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Stiahnutie zo siete zlyhalo" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Uplynul časový limit siete alebo iná chyba." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Nastaviť…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy #| msgid "Fix Selected Atoms" msgid "Freeze Selected Atoms" msgstr "Fixovať vybrané atómy" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "Vypočítať" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield optimization" msgstr "Optimalizácia silového poľa" #: qtplugins/forcefield/forcefield.h:50 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" msgstr "Optimalizácia silového poľa" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "GAMESS" msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Vstup GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "Jednoduchý" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Frekvencia" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Plyn" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Voda" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neutrálny" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Upravte Vodíky" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Pridať vodíky" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Odstrániť vodíky" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "Vodíky" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Vodíky" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Vložiť" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 #, fuzzy #| msgid "T" msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "Molekula…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Vložiť fragment" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Vložiť fragment" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Vložiť fragmenty molekúl na stavbu väčších molekúl" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 #, fuzzy msgid "Color:" msgstr "Farby:" #: qtplugins/label/label.cpp:170 #, fuzzy msgid "Distance from center:" msgstr "Vzdialenosť od centra:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Nič" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Prvok" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 #, fuzzy msgid "Atom Label:" msgstr "Označenie Skupiny:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 #, fuzzy msgid "Residue Label:" msgstr "Číslo zvyšku" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Chcete aktualizovať náhľad textu, pričom stratíte všetky zmeny vykonané vo " "vstupnom náhľade súboru Lammps?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Priehľadnosť:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 #, fuzzy msgid "SMILES…" msgstr "SMILES..." #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Spravovať" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Rozsah" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "Uhol:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy msgid "&Molecular…" msgstr "&Molekuly…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 #, fuzzy msgid "&Analysis" msgstr "&Analytický" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Vlastnosti" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Vlastnosti molekuly" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 #, fuzzy msgid "Molecule Properties" msgstr "Vlastnosti molekuly" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 #, fuzzy msgid "Export CSV" msgstr "Export CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 #, fuzzy #| msgid "File %1 can not be opened for writing." msgid "Could not open the file for writing." msgstr "Súbor %1 sa nedá otvoriť pre zapisovanie." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy msgid "Export…" msgstr "Export…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigovať" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 #, fuzzy #| msgid "°" msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 #, fuzzy msgid "Configure Force Field…" msgstr "Nastaviť silové pole…" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Pridať vodíky pre pH…" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "Odstrániť vodíky" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "Pridať vodíky pre pH" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Odstrániť vodíky (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Chcete aktualizovať náhľad textu, pričom stratíte všetky zmeny vykonané vo " "vstupnom náhľade súboru OpenMM?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Stop" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "video súbory (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 #, fuzzy msgid "Save File" msgstr "Uložiť súbor" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 #, fuzzy msgid "POV-Ray Render…" msgstr "POV-Ray" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Mocenstvo" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "Farby" #: qtplugins/propertytables/propertymodel.cpp:522 #, fuzzy msgid "Atom" msgstr "Atóm" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Typ" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Koniec Atómu" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Objednať Väzby" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Dĺžka (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Atóm 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Vrchol" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Atóm 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Uhol (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Atóm 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Atóm 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "Vlastnosti atómu…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "Vlastnosti väzby…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Vlastnosti uhla…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy #| msgid "Torsion Properties" msgid "Torsion Properties…" msgstr "Vlastnosti krútenia…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Vlastnosti" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Vlastnosti atómu" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Vlastnosti väzby" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Vlastnosti uhla" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Vlastnosti krútenia" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "Vynulovanie" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Residue…" msgstr "Vybrať podľa Zvyšku…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Výber" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "Výber" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Výber" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "Infračervený" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 #, fuzzy #| msgid "Electron Density" msgid "Electronic" msgstr "Elektrónová" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Elektrónová hustota" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Create Surfaces..." msgid "Create Surfaces…" msgstr "Vytvoriť povrchy …" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 #, fuzzy msgid "Calculating electron density" msgstr "Prebieha výpočet elektrónovej hustoty" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Povrchy" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, fuzzy, qt-format msgid "Group %1" msgstr "Skupina %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy msgid "Vibrations" msgstr "Vibrácie" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, fuzzy, qt-format #| msgid "POV-Ray failed to start." msgid "Error: %1 failed to start" msgstr "Zlyhalo spustenie %1" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "Vložiť fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Silové Pole:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Úspešné!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Color by Partial Charge" msgid "Partial Charges" msgstr "Čiastkového náboja" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Formát:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Použiť" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Obnoviť Všetko" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Predvolené" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Uložiť súbor…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Jednoduché Nastavenia" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Názov:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Metóda:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Vstup GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "V:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Mnohorakosť:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "S:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "názov" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C1" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy #| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other..." msgid "Other" msgstr "Ďaľšie" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Jednoduchý" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Dvojitý" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Použite formulár" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Metóda" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) #, fuzzy #| msgid "Systematic Rotor Search" msgid "Systematic rotor search" msgstr "Systematické vyhľadávanie rotora" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Silové Pole:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Jednoduchý" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Dvojitý" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Obmedzenia:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Width:" msgid "Peak Width:" msgstr "Šírka" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Vzhľad" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) #, fuzzy msgid "&Import..." msgstr "&Import..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) #, fuzzy #| msgid "Selected Colors" msgid "Set Color..." msgstr "Vybrané Farby..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy #| msgid "Import Spectra" msgid "Imported Spectra:" msgstr "Importovať Spectra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) #, fuzzy msgid "&Export..." msgstr "&Export..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Export Calculated Spectrum" msgid "Calculated Spectra:" msgstr "Vypočítaného spektra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy #| msgid "10e-" msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) #, fuzzy #| msgid "Close" msgid "&Close" msgstr "Zatvoriť" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Farba:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " (" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Svetlý" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Vypočítať" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) #, fuzzy msgid "Coordination:" msgstr "Typ Súradnice:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "Typ:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Skupiny" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Skupina:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #, fuzzy msgid "Start Animation" msgstr "Spustiť animáciu" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) #, fuzzy msgid "Stop Animation" msgstr "Zastaviť animáciu" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,milboy, ,Launchpad Contributions:,Avogadro Team," "helix84,milboy, ,Launchpad Contributions:,Avogadro Team,helix84,milboy, ," "Launchpad Contributions:,Avogadro Team,Geoff Hutchison,helix84,milboy, ," "Launchpad Contributions:,Avogadro Team,Geoff Hutchison,helix84,milboy, ," "Launchpad Contributions:,Avogadro Team,Geoff Hutchison,helix84,milboy, ," "Launchpad Contributions:,Avogadro Team,Geoff Hutchison,helix84,milboy, ," "Launchpad Contributions:,Avogadro Team,Geoff Hutchison,helix84,milboy, ," "Launchpad Contributions:,Avogadro Team,Geoff Hutchison,helix84,milboy, ," "Launchpad Contributions:,Avogadro Team,Geoff Hutchison,helix84,milboy, ," "Launchpad Contributions:,Avogadro Team,Geoff Hutchison,Milan Slovák,Miroslav " "Toman,helix84, ,Launchpad Contributions:,Avogadro Team,Geoff Hutchison,Milan " "Slovák,Miroslav Toman,helix84, ,Launchpad Contributions:,Avogadro Team,Geoff " "Hutchison,Milan Slovák,Miroslav Toman,helix84" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,,avogadro-devel@lists.sourceforge.net,,,,,avogadro-devel@lists." "sourceforge.net,,,,,avogadro-devel@lists.sourceforge.net,,,,,,avogadro-" "devel@lists.sourceforge.net,,,,,,avogadro-devel@lists.sourceforge.net,,,,,," "avogadro-devel@lists.sourceforge.net,,,,,,avogadro-devel@lists.sourceforge." "net,,,,,,avogadro-devel@lists.sourceforge.net,,,,,,avogadro-devel@lists." "sourceforge.net,,,,,,avogadro-devel@lists.sourceforge.net,,,toman.mir@gmail." "com,,,,avogadro-devel@lists.sourceforge.net,,,rayiner@protonmail.com,,,," "avogadro-devel@lists.sourceforge.net,,,rayiner@protonmail.com," #, fuzzy #~| msgid "Color by Partial Charge" #~ msgid "Partial Charge" #~ msgstr "Farba podľa čiastkového náboja" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animácia" #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waalsove gule" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Atómové číslo" #, fuzzy #~ msgid "By Distance" #~ msgstr "Vzdialenosť" #, fuzzy #~| msgid "Molecule" #~ msgid "Molecule Name:" #~ msgstr "Molekula" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "Optimalizácia" #, fuzzy #~ msgid "In." #~ msgstr "V:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Zlomok..." #, fuzzy #~| msgid "Other..." #~ msgid "Other..." #~ msgstr "Ďaľšie..." #, fuzzy #~ msgid "Filename" #~ msgstr "Nesprávny názov súboru" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Navigovať" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Navigovať" #~ msgid "OK" #~ msgstr "OK" #~ msgid "Cancel" #~ msgstr "Zrušiť" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Názov prvku" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Všetky súbory" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molekula" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Molekula" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&HRY" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Pridať vodíky pre pH..." #~ msgid "Atom Properties..." #~ msgstr "Vlastnosti atómu..." #~ msgid "Bond Properties..." #~ msgstr "Vlastnosti väzieb..." #~ msgid "Angle Properties..." #~ msgstr "Vlastnosti uhla..." #~ msgid "Torsion Properties..." #~ msgstr "Vlastnosti krútenia..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Vlastnosti molekuly..." #~ msgid "Insert Fragment..." #~ msgstr "Vložiť Zlomok" #~ msgid "Theory:" #~ msgstr "Teória:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Vzdialenosť (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Otočný" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Uhol %1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Krútenie %1" #, fuzzy #~ msgid "Yes" #~ msgstr "Roky" #, fuzzy #~ msgid "No" #~ msgstr "Neón" #, fuzzy #~ msgid "Import" #~ msgstr "Import" #~ msgid "Insert SMILES" #~ msgstr "Vložiť SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Vložiť zlomky SMILES..." #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "Vložiť fragment" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Vložiť fragmenty molekúl na stavbu väčších molekúl" #~ msgid "E&xtensions" #~ msgstr "R&ozšírenia" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometrická optimalizácia" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Pridať vodíky" #, fuzzy #~ msgid "Stopped" #~ msgstr "Stop" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Povrchy" #~ msgid "Color by Index" #~ msgstr "Farba podľa indexu" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Farba podľa indexu (červená, oranžová, zelená, modrá, fialová)" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Farba podľa čiastkového atomového náboja (modrá = kladný, červená = " #~ "záporný)" #~ msgid "Set custom colors for objects" #~ msgstr "Nastaviť vlastné farby objektov" #~ msgid "Color by Distance" #~ msgstr "Farba podľa vzdialenosti" #~ msgid "Color by distance from the first atom." #~ msgstr "Farba podľa vzdialenosti od prvého atómu." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Farba podľa prvku (uhlík = šedá, kyslík = červená, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Farba podľa zvyšku (typ aminokyselín, hydrofobicita, ..." #~ msgid "Highlight Color:" #~ msgstr "Zvýrazniť farbu" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Farba podľa SMARTS vzoru" #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Axes" #~ msgstr "Osy" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Vykreslí jednoducho pomocou guľôčok (atómy) a tyčiniek (väzby)" #~ msgid "Hydrogen Bond" #~ msgstr "Vodíkové väzby" #~ msgid "Renders hydrogen bonds" #~ msgstr "Vykresliť vodíkové väzby" #~ msgid "Polygon" #~ msgstr "Mnohouholník" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Vykresľuje atómy ako štvorsteny, osemsteny a ďalšie mnohouholníky" #~ msgid "Ring" #~ msgstr "Kruh" #~ msgid "Renders rings with colored planes" #~ msgstr "Vykreslí kruhy s farebnými rovinami" #~ msgid "Simple Wireframe" #~ msgstr "Jednoduchý drôtený model" #~ msgid "Stick" #~ msgstr "Tyčinka" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, isosurface = %L2" #~ msgid "Trajectory files" #~ msgstr "Súbory trajektórie" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Pridávanie prípony .avi" #~ msgid "Animation..." #~ msgstr "Animácia..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Nie je možné prečítať formát súboru %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Čítanie súboru trajektórie %1 zlyhalo." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Musíte zadať platný názov .avi súboru" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "Ovládací prvok grafickej knižnice nebol správne inicializovaný aby bolo " #~ "možné uložiť video" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "Neplatný názov video súboru. Musí obsahovať úplnú cestu" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Neplatný názov video súboru. Musí obsahovať úplnú cestu a názov končiaci " #~ "na .avi" #~ msgid "Cartesian Editor..." #~ msgstr "Karteziánsky editor..." #~ msgid "Cartesian editor" #~ msgstr "Karteziánsky editor" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Počet rotačných väzieb: %1" #~ msgid "Add constraint" #~ msgstr "Pridať obmedzenie" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Vaša molekula musí obsahovať aspoň jeden atóm aby ste mohli pridať " #~ "obmedzenie" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Vaša molekula musí obsahovať aspoň jeden atóm aby ste mohli pridať " #~ "obmedzenie väzby" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Vaša molekula musí obsahovať aspoň jeden atóm aby ste mohli pridať " #~ "obmedzenie uhla" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Vaša molekula musí obsahovať aspoň jeden atóm aby ste mohli pridať " #~ "obmedzenie uhla krútenia" #~ msgid "&Length Unit" #~ msgstr "%Dĺžka jednotky" #~ msgid "&Angle Unit" #~ msgstr "%Jednotka uhlu" #~ msgid "Trajectory..." #~ msgstr "Trajektória..." #~ msgid "Open chemical file format" #~ msgstr "Otvoriť formát chemického súboru" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Chemické súbory (*.xyz)" #~ msgid "Import Trajectory" #~ msgstr "Import trajektórie" #~ msgid "Import trajectory files" #~ msgstr "Import súborov trajektórie" #~ msgid "Calculate Energy" #~ msgstr "Vypočítať energiu" #~ msgid "Constraints..." #~ msgstr "Obmedzenia..." #~ msgid "ForceField" #~ msgstr "SilovéPole" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Optimalizácia a generovanie prispôsobenia molekúl pomocou molekulárnej " #~ "mechaniky silových polí" #~ msgid "Common vector image formats" #~ msgstr "Bežné vektorové formáty" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "H to Methyl" #~ msgstr "H na metyl" #~ msgid "H2Methyl" #~ msgstr "H na metyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Transformácia vodíkov na metylové skupiny" #~ msgid "Add or remove hydrogens" #~ msgstr "Pridať alebo odstrániť vodíky" #~ msgid "Peptide..." #~ msgstr "Peptid..." #~ msgid "PDB Entry" #~ msgstr "Záznam PDB" #~ msgid "PDB entry to download." #~ msgstr "Záznam PDB na stiahnutie." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL molekuly na stiahnutie." #~ msgid "Fetch molecule files over the network." #~ msgstr "Získať súbory molekúl prostredníctvom siete." #~ msgid "Show Preview" #~ msgstr "Zobraziť náhľad" #~ msgid "Hide Preview" #~ msgstr "Skryť náhľad" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Súbory obrázkov (*.png *.pbm)" #~ msgid "No valid filename was supplied." #~ msgstr "Nezadaný platný názov súboru." #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Nedá sa zapisovať do súboru %1. Máte oprávnenie zapisovať do tohto miesta?" #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "Zlyhalo spustenie POV-Ray. Cesta k spustiteľnému súboru nie je správne " #~ "nastavená." #~ msgid "Python Terminal" #~ msgstr "Python Terminál" #~ msgid "QM Matches" #~ msgstr "QM Zhoda" #~ msgid "Delete" #~ msgstr "Zmazať" #~ msgid "You must make a selection!" #~ msgstr "Musíte vybrať!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES Konverzia nie je k dispozícii" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES Konverzia formátu nie je k dispozícii!" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Vytvorenie vstupných súborov pre balík kvantovej chémie GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Pokročilé nastavenia zmenené" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Pokročilé nastavenia boli zmenené.\n" #~ "Zahodiť?" #~ msgid "Advanced Settings Reset" #~ msgstr "Obnovenie pokročilých nastavení" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Ste si istý že chcete vymazať pokročilé nastavenia?\n" #~ "Všetky zmeny sa stratia!" #~ msgid "Basic Settings Reset" #~ msgstr "Obnovenie základných nastavení" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Ste si istý že chcete vymazať základné nastavenia?\n" #~ "Všetky zmeny sa stratia!" #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC je už spustený. Počkajte, kým skončí predchádzajúci výpočet." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC nie je nainštalovaný." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Spustiteľný súbor MOPAC sa nenašiel." #~ msgid "Running MOPAC calculation..." #~ msgstr "Prebiehajú výpočty MOPAC..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC havaroval." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "MOPAC nefunguje správne. Možno nie je správne nainštalovaný." #~ msgid "Add Named Selection..." #~ msgstr "Pridať Pomenovaný výber..." #~ msgid "Name cannot be empty." #~ msgstr "Názov nesmie byť prázdny." #~ msgid "There is already a selection with this name." #~ msgstr "V súčasnosti už existuje výber s týmto názvom." #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Výber atómov, väzieb, zvyškov..." #~ msgid "No intensities" #~ msgstr "Žiadna intenzita" #~ msgid "X Axis" #~ msgstr "Osa X" #~ msgid "Y Axis" #~ msgstr "Osa Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Nastavenie &Infračerveného Spektra" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "&NMR Nastavenie Spektra" #~ msgid "Dark" #~ msgstr "Tmavý" #~ msgid "Publication" #~ msgstr "Uverejnenie" #~ msgid "Handdrawn" #~ msgstr "Ručné kreslenie" #~ msgid "New Scheme" #~ msgstr "Nová schéma" #~ msgid "Confirm Scheme Removal" #~ msgstr "Potvrdenie odstránenia schémy" #~ msgid "Really remove current scheme?" #~ msgstr "Skutočne odstrániť aktuálnu schému?" #~ msgid "Enter new name for current scheme:" #~ msgstr "Vložte nový názov pre schému:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Hodnoty oddelené tabulátorom (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Hodnoty oddelené tabulátorom" #~ msgid "Data Format" #~ msgstr "Formát dát" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Formát:" #~ msgid "Load Spectral Data" #~ msgstr "Načítať spektrálne údaje" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image File Format" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap" #~ msgid "Portable Pixmap" #~ msgstr "Prenosná Pixmapa" #~ msgid "X11 Bitmap" #~ msgstr "Bitmapa X11" #~ msgid "X11 Pixmap" #~ msgstr "Pixmapa X11" #~ msgid "Save Spectra Image" #~ msgstr "Uložiť obrázok Spectra" #~ msgid "Orbitals" #~ msgstr "Orbitály" #~ msgid "Calculating VdW Cube" #~ msgstr "Prebieha výpočet VdW kocky" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Prebieha výpočet MO %L1" #~ msgid "GL widget has no molecule" #~ msgstr "Ovládací prvok grafickej knižnice nemá molekulu" #~ msgid "Building video " #~ msgstr "Vytvára sa video " #~ msgid "Could not run mencoder." #~ msgstr "Nemožno spustiť mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Nastaviť pomer strán" #~ msgid "Connect" #~ msgstr "Pripojiť" #~ msgid "Disconnect" #~ msgstr "Odpojiť" #~ msgid "Debug Information" #~ msgstr "Ladiace informácie" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Zobrazenie veľkosti: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Atómy: %L1" #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Súbor typu '%1' nie je podporovaný pre čítanie." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Súbor typu pre súbor '%1' nie je podporovaný pre čítanie." #~ msgid "Molecule %1" #~ msgstr "Molekula %1" #~ msgid " - no module" #~ msgstr " - žiaden modul" #~ msgid "Unknown Python Extension" #~ msgstr "Neznáme Python Rozšírenie" #~ msgid "PythonExtension: checking " #~ msgstr "PythonRozšírenie: kontrolovanie " #~ msgid "Unknown Python Tool" #~ msgstr "Neznáme PythonNástroje" #~ msgid "PythonTool: checking " #~ msgstr "PythonNástroje: kontrolovanie " #~ msgid "Tools" #~ msgstr "Nástroje" #~ msgid "Align:" #~ msgstr "Zarovnať:" #~ msgid "Everything" #~ msgstr "Všetko" #~ msgid "Algorithm:" #~ msgstr "Algoritmy" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Molekulárna Dynamika (900K)" #~ msgid "Start" #~ msgstr "Štart" #~ msgid "Fixed atoms are movable" #~ msgstr "Pevné atómy sú pohyblivé" #~ msgid "Ignored atoms are movable" #~ msgstr "Ignorované atómy sú pohyblivé" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Automatická optimalizácia geometrie molekuly" #~ msgid "AutoOptimization Settings" #~ msgstr "AutomatickáOptimalizácia Nastavenia" #~ msgid "Auto Rotation Tool" #~ msgstr "Nástroje pre Atomatické Otáčanie" #~ msgid "x rotation:" #~ msgstr "x otáčanie:" #~ msgid "x rotation" #~ msgstr "x otáčanie" #~ msgid "y rotation:" #~ msgstr "y otáčanie:" #~ msgid "y rotation" #~ msgstr "y otáčanie" #~ msgid "z rotation:" #~ msgstr "z otáčanie:" #~ msgid "z rotation" #~ msgstr "z otáčanie" #~ msgid "Automatic rotation of molecules" #~ msgstr "Automatické otáčanie molekúl" #~ msgid "AutoRotate Settings" #~ msgstr "Nastavenie Automatického Otáčania" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Dĺžka Väzby: %L1" #~ msgid " Show Angles" #~ msgstr " Zobraziť Uholníky" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Vzdialenosť (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Vzdialenosť (3->4): %L1 %2" #~ msgid "Distance(s):" #~ msgstr "Vzdialenosť(i):" #~ msgid "Draw Bond" #~ msgstr "Kresliť Väzby" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Kresliť a upraviť atómy a väzby" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Preložiť, otočiť a nastaviť atómy a úlomky" #~ msgid "Manipulate Settings" #~ msgstr "Nastavenie Manipulácie" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Preložiť, otáčať, a približovať okolo aktuálneho pohľadu" #~ msgid "Navigate Settings" #~ msgstr "Nastavenie Navigácie" #~ msgid "Atom/Bond" #~ msgstr "Atóm/Väzba" #~ msgid "Residue" #~ msgstr "Zvyšok" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Vyber atómy, zvyšky a molekuly" #~ msgid "Symbol" #~ msgstr "Symbol" #~ msgid "Hydrophobicity" #~ msgstr "Hydrofóbia" #~ msgid "Atom Radius:" #~ msgstr "Radius Atómu:" #~ msgid "Bond Radius:" #~ msgstr "Radius Väzby:" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Slučka" #~ msgid "Dipole:" #~ msgstr "Dipól:" #~ msgid "Radius:" #~ msgstr "Rádius:" #~ msgid "Include Nitrogens" #~ msgstr "Zahrnúť Vodíky" #~ msgid "Positive" #~ msgstr "Pozitívne" #~ msgid "Negative" #~ msgstr "Negatívne" #~ msgid "Show Atoms" #~ msgstr "Zobraziť Atómy" #~ msgid "Animate Trajectory" #~ msgstr "Animovať Trajektórie" #~ msgid "0/0" #~ msgstr "0/0" #~ msgid "Save as .avi..." #~ msgstr "Uložiť ako .avi..." #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "Ignore Atom" #~ msgstr "Ignorovať Atóm" #~ msgid "Fix Atom" #~ msgstr "Opraviť atóm" #~ msgid "Fix Atom X" #~ msgstr "Opraviť atóm X" #~ msgid "Fix Atom Y" #~ msgstr "Opraviť atóm Y" #~ msgid "Fix Atom Z" #~ msgstr "Opraviť atóm Z" #~ msgid "Add" #~ msgstr "Pridať" #~ msgid "Save" #~ msgstr "Ulož" #~ msgid "Load" #~ msgstr "Načítať" #~ msgid "All" #~ msgstr "Všetko" #~ msgid "Setup Force Field" #~ msgstr "Nastaviť Silové Pole" #~ msgid "Algorithm" #~ msgstr "Algoritmus" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Pokročilé" #~ msgid "Grid" #~ msgstr "Mriežka" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "EFP Matches" #~ msgstr "EFP Výsledky" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Pokročilé Nastavenia" #~ msgid "System" #~ msgstr "Systém" #~ msgid "MO Guess" #~ msgstr "MO Odhad" #~ msgid "Read" #~ msgstr "Čítať" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP Typ:" #~ msgid "Default" #~ msgstr "Predvolené" #~ msgid "Max SCF Iterations:" #~ msgstr "Max SCF Iterácia:" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Finite Electric Field" #~ msgstr "Obmedzené Elektrické Pole" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Celková Optimalizácia" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO Optimalizácia" #~ msgid "Make EFP" #~ msgstr "Realizácia EFP" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Žiadny (CI)" #~ msgid "SCF Type:" #~ msgstr "Typ SCF:" #~ msgid "Localization Method:" #~ msgstr "Lokalizačná Metóda" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "General CI" #~ msgstr "Všeobecné CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Spustiť Normálne" #~ msgid "Check" #~ msgstr "Kontrola" #~ msgid "Debug" #~ msgstr "Ladenie" #~ msgid "Use MP2" #~ msgstr "Použiť MP2" #~ msgid "Use DFT" #~ msgstr "Použiť DFT" #~ msgid "Order of Principal Axis:" #~ msgstr "Poradie Hlavnej Osi" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Hilderbrant internals" #~ msgstr "Vnútorný Hilderbrant" #~ msgid "Point Group:" #~ msgstr "Bod Skupiny:" #~ msgid "Minutes" #~ msgstr "Minúty" #~ msgid "Hours" #~ msgstr "Hodiny" #~ msgid "Days" #~ msgstr "Dni" #~ msgid "Weeks" #~ msgstr "Týždne" #~ msgid "Millenia" #~ msgstr "Tisícročia" #~ msgid "MegaBytes" #~ msgstr "MegaByty" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "Memory:" #~ msgstr "Pamäť:" #~ msgid "Diagonalization Method:" #~ msgstr "Diagonalizačná Metóda:" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Použite External Data Representation pre Správy" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO Uložené (DICTNRY)" #~ msgid "Skip" #~ msgstr "Preskočiť" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "GAMESS Rozhranie pre Iné Kódy" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK Verzia)" #~ msgid "Grid-Free" #~ msgstr "Voľná-Mriežka" #~ msgid "words" #~ msgstr "slová" #~ msgid "# of Core Electrons:" #~ msgstr "# z Jadra Elektrónov:" #~ msgid "Segmented Transformation" #~ msgstr "Segmentovaná Transformácia" #~ msgid "Numeric" #~ msgstr "Číselný" #~ msgid "Displacement Size:" #~ msgstr "Presunutá Veľkosť:" #~ msgid "Read (from $HESS)" #~ msgstr "Čítať (z $HESS)" #~ msgid "Update Step Size" #~ msgstr "Aktualizovať Veľkosť Kroku" #~ msgid "Stationary Point" #~ msgstr "Stacionárny bod" #~ msgid "Initial:" #~ msgstr "Východiskový" #~ msgid "Quadratic Approximation" #~ msgstr "Kvadratická Aproximatizácia" #~ msgid "Constrained Optimization" #~ msgstr "Obmedzená Optimalizácia" #~ msgid "Follow Mode:" #~ msgstr "Dodržiavajte režim:" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Štandard" #~ msgid "Checkpoint:" #~ msgstr "Checkpoint:" avogadrolibs-1.100.0/i18n/sl.po000066400000000000000000012353251474375334400161130ustar00rootroot00000000000000# Slovenian translation for avogadro. # Copyright (c) 2012 Rosetta Contributors and Canonical Ltd 2012 # This file is distributed under the same license as the avogadro package. # # Matej Urbančič , 2012. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-16 14:01+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Slovenian \n" "Language: sl\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=4; plural=n%100==1 ? 0 : n%100==2 ? 1 : n%100==3 || " "n%100==4 ? 2 : 3;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" "X-Poedit-Country: SLOVENIA\n" "X-Poedit-Language: Slovenian\n" "X-Poedit-SourceCharset: utf-8\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, fuzzy, qt-format msgid "%1 Input Generator" msgstr "%1 Ustvarjalnik skriptov" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Nadaljuj" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Zapri" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "nepoznano" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Vodik" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "helij" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "litij" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "berilij" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "ogljik" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "dušik" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "kisik" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "fluor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "natrij" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "magnezij" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "aluminij" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "silicij" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "fosfor" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "žveplo" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "klor" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "kalij" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "kalcij" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "skandij" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "titan" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "vanadij" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "krom" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "železo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "kobalt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "nikelj" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "baker" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "cink" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "galij" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "germanij" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "arzen" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "selen" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "brom" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "kripton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "rubidij" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "stroncij" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "itrij" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "cirkonij" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "niobij" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "molibden" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "tehnecij" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "rutenij" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "rodij" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "paladij" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "srebro" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "kadmij" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "indij" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "kositer" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "antimon" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "telur" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "jod" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "ksenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "cezij" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "barij" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "lantan" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "cerij" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "prazeodim" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "neodim" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "prometij" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "samarij" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "evropij" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "gadolinij" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "terbij" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "disprozij" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "holmij" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "erbij" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "tulij" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "iterbij" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "lutecij" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "hafnij" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "tantal" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "volfram" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "renij" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "osmij" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "iridij" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "platina" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "zlato" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "živo srebro" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "talij" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "svinec" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "bizmut" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "polonij" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "astat" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "francij" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "radij" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "aktinij" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "torij" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "protaktinij" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "uran" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "neptunij" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "plutonij" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "americij" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "kirij" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "berkelij" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "kalifornij" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "ajnštajnij" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "fermij" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "mendelevij" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "nobelij" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "lavrencij" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "ruterfordij" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "dubnij" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "siborgij" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "borij" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "hasij" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "mejtnerij" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "darmstadij" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "rutenij" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "kopernicij" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "nihonij" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "flerovij" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "moskovij" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermorij" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "tenes" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "oganeson" #: qtgui/filebrowsewidget.cpp:23 #, fuzzy msgid "Browse" msgstr "Prebrskaj" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Vse Datoteke" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Naslov" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 #, fuzzy msgid "Theory" msgstr "Teorija" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Osnova" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "Naboj" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "Mnogokratnik" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 #, fuzzy msgid "[no molecule]" msgstr "[ni molekule]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Kroglice in palice" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Trakovi" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Dipolni moment" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Sile" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Oznaka" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 #, fuzzy #| msgid "QTAIM" msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waalsovi radii" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Žični model" #: qtgui/moleculemodel.cpp:92 #, fuzzy msgid "Untitled" msgstr "neimenovano" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodni sistem elementov" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Dodaj atom" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Odstrani atom" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Samodejno dodaj vodike" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Spremeni element" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Spremeni element" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Dodaj vez" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 #, fuzzy msgid "Clear Bonds" msgstr "Izbriši vezi" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Spremeni vrsto vezi" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 #, fuzzy msgid "Remove Unit Cell" msgstr "Odstrani osnovno celico" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 #, fuzzy msgid "Wrap Atoms to Cell" msgstr "Združi atome v celico" #: qtgui/rwmolecule.cpp:522 #, fuzzy msgid "Scale Cell Volume" msgstr "Prilagodi prostornino osnovne celice" #: qtgui/rwmolecule.cpp:542 #, fuzzy msgid "Build Super Cell" msgstr "Supercelica" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "Zavrti na običajno usmerjenost" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 #, fuzzy msgid "Reduce to Primitive" msgstr "Zmanjšaj na primitivno celico" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Zapolni osnovno celico" #: qtgui/rwmolecule.cpp:702 #, fuzzy msgid "Reduce Cell to Asymmetric Unit" msgstr "Zmanjšaj na asimetrično enoto" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 #, fuzzy #| msgid "&Settings" msgid "Settings" msgstr "Nastavitve" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Datoteka" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 #, fuzzy msgid "&Export" msgstr "Izvozi" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Izgradnja" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Poravnava" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" "Poravnava molekul\n" "\n" "Levi gumb miške: \tIzbor do dveh atomov.\n" "\tPrvi izbran atom je postavljen v izhodiščno točko.\n" "\tDrugi izbran atom je poravnan na izbrano os.\n" "Desni klik miške: \tPočisti poravnavo.\n" "Dvojni klik: \tPostavi atom v izhodiščno točko." #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Os:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 #, fuzzy #| msgid "selected atom to origin" msgid "Center the atom at the origin." msgstr "izbrani atomi v središče osnovne celice" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Poravnaj molekule na kartezijsko os" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 #, fuzzy msgid "Open Output File…" msgstr "Odpri datoteko…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, fuzzy msgid "IO Error" msgstr "Napaka" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Napaka" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "Uspešno končano" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "Barva po meri…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy #| msgid "Partial Charge" msgid "By Partial Charge…" msgstr "Delni naboj…" #: qtplugins/applycolors/applycolors.cpp:82 #, fuzzy msgid "By Secondary Structure" msgstr "sekundarno strukturo" #: qtplugins/applycolors/applycolors.cpp:87 #, fuzzy msgid "By Amino Acid" msgstr "Aminokisline" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 #, fuzzy #| msgid "Spectra" msgctxt "colormap" msgid "Spectral" msgstr "Spektri" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Pogled" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 #, fuzzy msgid "Color Residues" msgstr "Barva po ostanku" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Pokaži večkratne vezi" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Premeščanje in spreminjanje vezi" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Premeščanje in spreminjanje vezi" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "Ali naj bodo vezi zaznane" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "Vez" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 #, fuzzy msgid "Perceive bond orders." msgstr "Ali naj bodo vezi zaznane." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Hrbtišče" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Trakovi" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Trakovi" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Trakovi" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Dodaj središče mase" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "Razširitve" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #, fuzzy msgid "Scripts" msgstr "Skripti" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 #, fuzzy #| msgid "Other" msgid "Other…" msgstr "Drugo…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "Urejevalnik koordinat" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "Urejevalnik koordinat" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Ime elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Simbol elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Atomski indeksi." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Številka atoma." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 #, fuzzy msgid "X coordinate." msgstr "X Koordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 #, fuzzy msgid "Y coordinate." msgstr "Y Koordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 #, fuzzy msgid "Z coordinate." msgstr "Z Koordinate." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Po meri" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Skript Turbomole" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 #, fuzzy msgid "Copy" msgstr "Kopiraj" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 #, fuzzy msgid "Clear" msgstr "Počisti" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energija" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 #, fuzzy msgid "Molecular Dynamics" msgstr "Molekularna dinamika" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 #, fuzzy msgid "Geometry Optimization" msgstr "Prilagajanje geometrije" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 #, fuzzy msgid "Molecular Mechanics" msgstr "Molekularna mehanika" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "BREZ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 #, fuzzy msgid "Conjugate Gradients" msgstr "Konjugiranje gradientov" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 #, fuzzy msgid "Steepest descent" msgstr "Strmo nižanje" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy msgid "Import Crystal from Clipboard…" msgstr "Uvozi krstalno mrežo iz odložišča …" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy msgid "Edit Unit Cell…" msgstr "Dodaj osnovno celico …" #: qtplugins/crystal/crystal.cpp:57 #, fuzzy msgid "&Wrap Atoms to Unit Cell" msgstr "&Združi atome v celico" #: qtplugins/crystal/crystal.cpp:63 #, fuzzy msgid "Rotate to Standard &Orientation" msgstr "Zavrti na &običajno usmerjenost" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy msgid "Scale Cell &Volume…" msgstr "Prolagajanje celice na &prostornino ..." #: qtplugins/crystal/crystal.cpp:74 #, fuzzy msgid "Build &Supercell…" msgstr "&Supercelica …" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Zmanjšaj celico (&Nigglijev algoritem)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "&Crystal" msgstr "Kristal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Odstrani osnovno &celico" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Dodaj &osnovno celico" #: qtplugins/crystal/crystal.cpp:168 #, fuzzy msgid "Import Crystal from Clipboard" msgstr "Uvozi krstalno mrežo iz odložišča" #: qtplugins/crystal/crystal.cpp:175 #, fuzzy #| msgid "&Keep atoms in unit cell" msgid "Wrap atoms into the unit cell." msgstr "Združi atome v osnovno celico." #: qtplugins/crystal/crystal.cpp:177 #, fuzzy #| msgid "Rotate to Standard Orientation" msgid "Rotate the unit cell to the standard orientation." msgstr "Zavrti na običajno usmerjenost" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 #, fuzzy msgid "The unit cell is already reduced." msgstr "Osnovna celica je že zmanjšana." #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "Kristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Ni mogoče razčleniti besedila" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Nariši" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Nariši atom" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Razdalja:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Enojna" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Dvojna" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Trojna" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 #, fuzzy msgid "&Import" msgstr "Uvozi" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Pridobi iz zbirke PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Kemijska strukture za prejem s strežnika." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Prejem preko omrežja je spodletel" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Zahteva omrežja je časovno potekla ali pa se je pojavila druga napaka." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Navedene molekule ni mogoče najti: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Pridobi iz zbirke PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 #, fuzzy msgid "Optimize Geometry" msgstr "Prilagodi geometrijo" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Nastavitev …" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "Izračunaj" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Energija = %L1 %2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield optimization" msgstr "Prilagajanje polja sil" #: qtplugins/forcefield/forcefield.h:50 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" msgstr "Prilagajanje polja sil" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "&GAMESS" msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Skript GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "Točkovna energija" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Geometrija ravnovesja" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Prehodno stanje" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Frekvence" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Jedrni potencial" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "plinastem stanju" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "vodi" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "duplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "dikation" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "kation" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "nevtralno" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "anion" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Samodejno dodaj vodike" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Dodaj vodike" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Odstrani vodike" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "Vodiki" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Vodiki" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 #, fuzzy #| msgid "DNA/RNA..." msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Vstavi" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy #| msgid "Insert DNA/RNA" msgid "Insert DNA/RNA…" msgstr "Vstavi DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "Uracil" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "Timin" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy #| msgid "Insert DNA" msgid "InsertDNA" msgstr "Vstavi DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "Molekula…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy msgid "Crystal…" msgstr "Kristal …" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "Uvozi kristal" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Vstavi molekulski delec" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Vstavi molekulski delec" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Vstavljanje molekulskih delcev za izgradnjo večjih molekul" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "Barva:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Brez" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "Edinstven ID" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 #, fuzzy msgid "Atom Label:" msgstr "Oznake atomov:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 #, fuzzy msgid "Residue Label:" msgstr "Oznake preostanka:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 #, fuzzy #| msgid "&LAMMPS..." msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Ali naj se posodobi besedilo predogleda in zavrže vse spremembe okna " "predogleda skripta Lammps?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Prekrivnost:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 #, fuzzy msgid "SMILES…" msgstr "SMILES …" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Premeščanje in spreminjanje" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Izmeri" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Dihedralni kot:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Kot:" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "Kot:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(na čakanju)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy msgid "&Molecular…" msgstr "&Molekulska…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 #, fuzzy msgid "&Analysis" msgstr "&Analitično" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Lastnosti" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Lastnosti molekule" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Lastnosti molekule" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 #, fuzzy #| msgid "WFN files (*.wfn);;All files (*.*)" msgid "CSV Files (*.csv);;All Files (*)" msgstr "Datoteke CSV (*.csv);;Vse datoteke (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 #, fuzzy #| msgid "Could not open file '%1' for writing." msgid "Could not open the file for writing." msgstr "Datoteke '%1' ni mogoče odpreti za pisanje." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy msgid "Export…" msgstr "Izvozi…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "KrmarjenjeSkok navzgor" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Ime kemijske strukture" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 #, fuzzy msgid "Configure Force Field…" msgstr "Nastavitev polja sil …" #: qtplugins/openbabel/openbabel.cpp:59 #, fuzzy #| msgid "Conformer Search" msgid "Conformer Search…" msgstr "Iskanje konformer …" #: qtplugins/openbabel/openbabel.cpp:65 #, fuzzy msgid "Perceive Bonds" msgstr "Ali naj bodo vezi zaznane" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Dodaj vodike do vrednosti pH …" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "Odstrani vodike" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Prilagodi geometrijo (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Datoteka trajektorij %1 ni skladna s številom atomov v trenutni molekuli." #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Dodaj vodike (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "Dodaj vodike do vrednosti pH" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Odstrani vodike (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Ali naj se posodobi besedilo predogleda in zavrže vse spremembe okna " "predogleda skripta OpenMM?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Zaustavi" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 #, fuzzy msgid "Frame:" msgstr "Sličice:" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 #, fuzzy msgid "Dynamic bonding?" msgstr "Dinamične vezi" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "datoteke posnetkov (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 #, fuzzy msgid "Save File" msgstr "Shrani datoteko" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Valenca" #: qtplugins/propertytables/propertymodel.cpp:503 #, fuzzy msgid "Formal Charge" msgstr "Formalni naboj" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "Barva" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Vrsta" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "Začetni atom" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Končni atom" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Vrsta vezi" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Dolžina (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Atom 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Vertex" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Atom 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Kot (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Atom 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Atom 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "Vijačnica" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "Vijačnica" #: qtplugins/propertytables/propertymodel.cpp:939 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "Delovni list" #: qtplugins/propertytables/propertymodel.cpp:941 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Heliks 3-10" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "Lastnosti atomov…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "Lastnosti vezi…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Lastnosti kotov…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy #| msgid "Torsion Properties" msgid "Torsion Properties…" msgstr "Lastnosti torzije…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "Okna za prikaz lastnosti atomov, vezi, kotov in drugih podatkov." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Lastnosti" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Lastnosti atomov" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Lastnosti vezi" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Lastnosti kotov" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Lastnosti torzije" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Lastnosti konformere" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Izriše predmete z lastnostmi QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 #, fuzzy #| msgid "Atomic Charge..." msgid "Atomic Charge…" msgstr "Atomski nabo …" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Odpri datoteko WFN" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Datoteke WFN (*.wfn);;Vse datoteke (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Razširitev QTAIM" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "Ponastavi" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 #, fuzzy #| msgid "Select by Element..." msgid "Select by Element…" msgstr "Izbor po elementu …" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Residue…" msgstr "Izbor po ostanku …" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Izberi" #: qtplugins/select/select.cpp:180 #, fuzzy #| msgid "Select by Element..." msgid "Select Element" msgstr "Izbor elementu" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" msgstr "Izbor ostanku" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "Izberi" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Izbor" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 #, fuzzy msgid "Paint Atoms" msgstr "Začetni atom" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 #, fuzzy msgid "Perceive Space Group…" msgstr "Zaznaj prostorsko skupino …" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Zapolni osnovno celico …" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "Zmanjšaj na asimetrično enoto" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "Space Group" msgstr "Prostorska skupina" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 #, fuzzy msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Zaznavanje prostroske skupine je spodletelo.\n" "Ali želite poskusiti znova z drugačno nastavitvijo tolerance?" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "Mednarodno" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:385 #, fuzzy msgid "Select Space Group" msgstr "Izbor prostorske skupine" #: qtplugins/spacegroup/spacegroup.h:24 #, fuzzy msgid "SpaceGroup" msgstr "Prostorska skupina" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgid "Spectra" msgid "Spectra" msgstr "Spektri" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "Infrardeče" #: qtplugins/spectra/spectradialog.cpp:440 #, fuzzy #| msgctxt "Raman spectrum" #| msgid "Raman" msgid "Raman" msgstr "Ramanski" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 #, fuzzy #| msgid "electron" msgid "Electronic" msgstr "elektron" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 #, fuzzy #| msgid "&Density Of States Settings" msgid "Density of States" msgstr "Gostote stanj (DOS)" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Nastavi barvo ozadja" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Nastavi barvo pisave" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "Izbor izračunane barve spektra" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "Izbor uvožene barve spektra" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 #, fuzzy #| msgid "Wavenumber (cm-1)" msgid "Wavenumbers (cm⁻¹)" msgstr "Valovno število (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 #, fuzzy #| msgid "Import Spectra" msgid "Raman Spectra" msgstr "Ramanski spektra" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 #, fuzzy #| msgid "Intensities" msgid "Intensity" msgstr "Intenzitete" #: qtplugins/spectra/spectradialog.cpp:613 #, fuzzy #| msgid "Spectra" msgid "NMR Spectra" msgstr "NMR Spektri" #: qtplugins/spectra/spectradialog.cpp:614 #, fuzzy #| msgid "Shift (ppm)" msgid "Chemical Shift (ppm)" msgstr "Premik (v ppm)" #: qtplugins/spectra/spectradialog.cpp:627 #, fuzzy #| msgid "Electron Density" msgid "Electronic Spectra" msgstr "Elektronska Spektra" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Energija (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Orbitala" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Simetrija" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Stanje" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Molekulska orbitala" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Elektronska gostota" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Create Surfaces" msgid "Create Surfaces…" msgstr "Ustvari površine…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 #, fuzzy msgid "Calculating electron density" msgstr "Izračunavanje elektronske gostote" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Površine" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 #, fuzzy #| msgid "Symmetry" msgid "Symmetry…" msgstr "Simetrija …" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, fuzzy, qt-format msgid "Group %1" msgstr "Skupina %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "Vibracija" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, fuzzy, qt-format #| msgid "G03 failed to start." msgid "Error: %1 failed to start" msgstr "Zagon programnika %1 je spodletel" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Pogovorno okno" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Obrazec" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "Vstavi molekulski delec…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filter:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "Z vpisom imena ali dela imena se pokažejo filtrirani zadetki." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Vstavi" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Polje sil:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Uspešno končano!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial Charge" msgid "Partial Charges" msgstr "Delni naboj" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Oblika:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Uveljavi" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Ponastavi vse" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Privzeto" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Shrani datoteko …" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "Osnovna &nastavitve" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Naslov:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Izračunaj:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Način:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Možnosti supercelice" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Ponovitev A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Ponovitev B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Ponovitev C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Uporabi" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Skrij" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Prilagodi prostornino osnovne celice" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Oznaka besedila" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Vrsta vezi:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Skript GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "V:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Večkratnost:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Z:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Naboj:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "ime" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Vstavi nikleinske kisline" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "Izgrajevalnik DNA/RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "DNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "RNA" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Nukleinske kisline" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Adenin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Citozin" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Gvanineđ" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy #| msgid "G" msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy #| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Zaporedje:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "število baznih parov na obrat vijačnice" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other" msgid "Other" msgstr "Drugo" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Število baz na obrat:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Enojna" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Dvojna" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elektron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Slog atomov" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "kot" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "vez" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "naboj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipol" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "polno" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "vrstica" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperatura" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Mere" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Meja" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Podvoji" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Podvoji v osi X" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Podvoji v osi Y" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Podvoji v osi Z" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Začetne hitrosti" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Enovrstično" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Večvrstično" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Uporabi obrazec" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Preslikaj po:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Zavrti okoli:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Izvor" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "Os X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Os Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "osi Z" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Iskanje konformer" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Način" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Number of conformers" msgid "Number of conformers:" msgstr "Število konformer:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Sistematično iskanje vrtljivih vezi" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Naključno iskanje vrtljivih vezi" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Uteženo iskanje vrtljivih vezi" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Iskanje z genetskim algoritmom" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Možnosti genetskega algoritma" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy #| msgid "Children" msgid "Children:" msgstr "Podrejeni:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Mutability" msgid "Mutability:" msgstr "Mutabilnost:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) #, fuzzy #| msgid "Scoring method" msgid "Scoring method:" msgstr "Način ocenjevanja:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "RMSD" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Strmo nižanje" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Polje sil:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Sklic" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Enojna" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Dvojna" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Omejitve:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Temperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Skupna energija" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Valovna dolžina:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Radij kritične točke:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Radij poti vezi:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Kovalentnost" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Konstantna velikost" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy #| msgid "Scale &Factor:" msgid "Scale Factor:" msgstr "Faktor merila:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Width:" msgid "Peak Width:" msgstr "Širina:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) #, fuzzy #| msgid "Threshold:" msgid "Peak Threshold:" msgstr "Prag:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Videz" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Pokaži" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" "Uvozi datoteko tsv eksperimentalnih spektroskopskih podatkov za prekrivanje " "izrisa." #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Uvozi ..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Nastavi barvo ..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Uvoženi merjeni podatki spektra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Izvozi ..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Ozadje:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Export Calculated Spectrum" msgid "Calculated Spectra:" msgstr "Izračunanih spektra:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy #| msgid "10e-" msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Izvozi podatke" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Zapri" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Upravljanje:\n" "Dvojni levi klik: obnovi privzete meje osi\n" "Desni klik + poteg: premakne izris\n" "Srednji klik + poteg: približa območje\n" "Drsni gumb: približa mesto pod kazalko" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "&Naloži podatke ..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Kakovost: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Nizka" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Srednja" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Visoka" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Zelo visoka" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Ustvari površine" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Barva:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy #| msgctxt "Electrostatic potential surface type" #| msgid "Electrostatic Potential" msgid "Electrostatic Potential" msgstr "Elektrostatski potencial" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Ločljivost:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "Vrednost izo-površine:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " K" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Svetla" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Izračunaj" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekula" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Odstopanje:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Tesno" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Običajno" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Prosto" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) #, fuzzy msgid "Formal Charge:" msgstr "Formalni naboj:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "1: Linear" msgstr "linearna" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "2: Linear" msgstr "linearna" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "Vrsta:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) #, fuzzy msgid "From Clipboard" msgstr "iz odložišča" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Skupine" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Skupine:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplituda:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #, fuzzy msgid "Start Animation" msgstr "Začni animacijo" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) #, fuzzy msgid "Stop Animation" msgstr "Zaustavi animacijo" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) #, fuzzy msgid " eV" msgstr "eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Grega P,Matej Urbančič, ,Launchpad Contributions:," "Grega P,Matej Urbančič, ,Launchpad Contributions:,Grega P,Matej Urbančič, ," "Launchpad Contributions:,Grega P,Matej Urbančič" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,mateju@svn.gnome.org,,,,mateju@svn.gnome.org,,,,mateju@svn.gnome.org,,,," "mateju@svn.gnome.org" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #, fuzzy #~ msgid "eV)" #~ msgstr "eV" #~ msgid "Partial Charge" #~ msgstr "Delni naboj" #, fuzzy #~| msgid "" #~| "Bond Centric Manipulation Tool\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view.\n" #~| "\n" #~| "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~| "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~| "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Orodje za spreminjanje atomov in vezi\n" #~ "\n" #~ "Levi gumb miške: \tS klikom in vlečenjem se zavrti pogled.\n" #~ "Srednji gumb miške: S klikom in vlečenjem se predmet približa ali " #~ "oddalji.\n" #~ "Desni gumb miške: \tS klikom in vlečenjem se pogled premakne.\n" #~ "Dvojni klik: \tPočisti pogled.\n" #~ "\n" #~ "Levi klik in poteg na vezi nastavi ravnino\n" #~ "Levi klik in poteg atoma na vezi spremeni kot\n" #~ "Desni klik in poteg atoma na vezi spremeni dolžino" #, fuzzy #~| msgid "" #~| "Draw Tool (F8)\n" #~| "\n" #~| "Left Mouse: \tClick and Drag to create Atoms and Bonds\n" #~| "Right Mouse: \tDelete Atom" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Orodje risanja (F8)\n" #~ "\n" #~ "Levi gumb miške: \tS klikom in vlečenjem se izrišejo atomi in vezi\n" #~ "Desni klik miške: \tIzbriše atom" #, fuzzy #~| msgid "" #~| "Click to Measure (F12)\n" #~| "\n" #~| "Left Mouse: \tSelect up to three Atoms.\n" #~| "\tDistances are measured between 1-2 and 2-3\n" #~| "\tAngle is measured between 1-3 using 2 as the common point\n" #~| "Right Mouse: \tReset the measurements.Double-Click: \tReset the view." #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Izmera dolžin (F12)\n" #~ "\n" #~ "Levi gumb miške: \tIzbor do treh atomov.\n" #~ "\tRazdalje se izmerijo med atomoma 1-2 in 2-3\n" #~ "\tIzmerjeni kot določa kot med 1-3, pri čemer je drugi atom stičišče " #~ "daljic\n" #~ "Desni gumb miške: \tPočisti izmere. Dvojni klik: \tPočisti pogled." #, fuzzy #~| msgid "" #~| "Navigation Tool (F9)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Orodje za krmarjenje (F9)\n" #~ "\n" #~ "Levi gumb miške: \tS klikom in vlečenjem se pogled zavrti.\n" #~ "Srednji gumb miške: S klikom in vlečenjem se predmet približa ali " #~ "oddalji.\n" #~ "Desni gumb miške: \tS klikom je mogoče povleči in premakniti pogled.\n" #~ "Dvojni klik: \tPonastavi pogled." #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Animacija" # Orodje za krmarjenje (F9)\n # \n # Levi gumb miške: \tS klikom in vlečenjem se pogled zavrti.\n # Srednji gumb miške: S klikom se predmet približa ali oddalji.\n # Desni gumb miške: \tS klikom je mogoče povleči im premakniti pogled.\n # Dvojni klik: \tPonastavi pogled. #, fuzzy #~| msgid "" #~| "Selection Tool (F11)\n" #~| "\n" #~| "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~| "\tDrag to select a range of atoms\n" #~| "Right Mouse: \tClick outside the molecule to clear selection\n" #~| "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~| "Double-Click: \tSelect an entire fragment." #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Orodje za izbiranje (F11)\n" #~ "\n" #~ "Levi gumb miške: \tS klikom se izbere posamezne atome, preostanke ali " #~ "molekulske delce\n" #~ "\tS sočasnim potegom se izbere polje predmetov.\n" #~ "Desni gumb miške: \tS klikom izven področja predmeta se izbor počisti\n" #~ "Z uporabo Ctrl je mogoče preklopiti izbor, s tipko Shift pa dodati k " #~ "izbiri.\n" #~ "Dvojni klik: \tIzbor celotnega molekulskega delca." #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waalsovi radii" #, fuzzy #~| msgid "" #~| "Manipulation Tool (F10)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to move atoms\n" #~| "Middle Mouse: Click and drag to move atoms further away or closer\n" #~| "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Orodje za premeščanje in spreminjanje (F10)\n" #~ "\n" #~ "Levi gumb miške: \tS klikom in vlečenjem je mogoče premikati atome\n" #~ "Srednji gumb miške: S klikom in vlečenjem je mogoče atome približati ali " #~ "oddaljiti\n" #~ "Desni gumb miške: \t Sklikom in vlečenjem je mogoče vrteti izbrane " #~ "atome.\n" #~ "Dvojni klik: \tPočisti pogled." #~ msgid "Geometry" #~ msgstr "Geometrija" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Dodaj &osnovno celico" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Atomski indeksi" #, fuzzy #~ msgid "By Distance" #~ msgstr "Razdalja" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Atomski indeksi" #, fuzzy #~ msgid "&Copy" #~ msgstr "Kopiraj vse" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "Ime po IUPAC-u:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molekulska masa (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Kemijska formula:" #~ msgid "Number of Atoms:" #~ msgstr "Število atomov:" #~ msgid "Number of Bonds:" #~ msgstr "Število vezi:" #~ msgid "TODO" #~ msgstr "CILJI" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Velikost skoka:" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "Prilagajanje" #, fuzzy #~ msgid "In." #~ msgstr "V:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Molekulski delci ..." #, fuzzy #~| msgid "DFT Functional" #~ msgid "Functional Groups" #~ msgstr "DFT Functional" #~ msgid "Other..." #~ msgstr "Drugo ..." #, fuzzy #~ msgid "Filename" #~ msgstr "Ime datoteke:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Naloži datoteko" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "KrmarjenjeSkok navzgor" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "KrmarjenjeSkok navzgor" #~ msgid "OK" #~ msgstr "V redu" #~ msgid "Cancel" #~ msgstr "Prekliči" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Ime elementa" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Vse datoteke" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Romboedrični" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Molekula" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Ni nastavljene molekule" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK ..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Kristal ..." #~ msgid "SMILES..." #~ msgstr "SMILES ..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Dodaj vodike do pH ..." #~ msgid "Atom Properties..." #~ msgstr "Lastnosti atoma ..." #~ msgid "Bond Properties..." #~ msgstr "Lastnosti vezi ..." #~ msgid "Angle Properties..." #~ msgstr "Lastnosti kotov ..." #~ msgid "Torsion Properties..." #~ msgstr "Lastnosti torzije ..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Lastnosti molekule ..." #~ msgid "Create Surfaces..." #~ msgstr "Ustvari površine ..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Simetrija" #~ msgid "Insert Fragment..." #~ msgstr "Vstavi molekulski delec ..." #~ msgid "Theory:" #~ msgstr "Teorija:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Razdalja (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Vrtljivo" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Konformera %1\n" #~ "Dolžina %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Konformera %1\n" #~ "Kot %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Kot %1" #~ msgid "Angle" #~ msgstr "Kot" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Konformera %1\n" #~ "Torzija %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Torzija %1" #~ msgid "Torsion" #~ msgstr "Torzija" #~ msgid "Energy (kJ/mol)" #~ msgstr "Energija (kJ/mol)" #~ msgid "Yes" #~ msgstr "Da" #~ msgid "No" #~ msgstr "Ne" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Ustvarjalnik skriptov ..." #, fuzzy #~ msgid "Import" #~ msgstr "Uvozi" #~ msgid "Insert SMILES" #~ msgstr "Vstavi SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Vstavi molekulski delec SMILES:" #~ msgid "Insert Crystal" #~ msgstr "Vstavi kristal" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Vstavljanje molekulskih delcev za izgradnjo večjih molekul" #~ msgid "E&xtensions" #~ msgstr "&Pripone" #~ msgid "Symmetry Properties..." #~ msgstr "Lastnosti simetrije ..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Prilagodi geometrijo" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Prilagajanje geometrije" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Dodaj vodike" #, fuzzy #~ msgid "Stopped" #~ msgstr "Zaustavi" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Površine" #~ msgid "Color by Index" #~ msgstr "Barva po ordinalnem številu" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Barva po ordinalnem številu (rdeča, oranžna, rumena, zelena, modra, " #~ "vijolična)." #~ msgid "Color by Partial Charge" #~ msgstr "Barva po delnem naboju" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Barva po delnem atomskem naboju (modra = pozitivno, rdeča = negativno)." #~ msgid "Custom Color:" #~ msgstr "Barva po meri:" #~ msgid "Set custom colors for objects" #~ msgstr "Določitev barv po meri za predmete" #~ msgid "Color by Distance" #~ msgstr "Barva po oddaljenosti" #~ msgid "Color by distance from the first atom." #~ msgstr "Barva po oddaljenosti od prvega atoma" #~ msgid "Color by Element" #~ msgstr "Barva po elementih" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Barva po elementu (ogljik = siv, kisik = rdeč ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Barva po ostanku (vrsta aminokisline, hidrofobnost ...)" #~ msgid "SMARTS Pattern:" #~ msgstr "Vzorec SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Barva poudarka:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Barva po vzorcu SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Poudari posebne lastnosti, ki so skladne z vzorcem SMARTS." #~ msgid "Ununtrium" #~ msgstr "ununtrij" #~ msgid "Ununpentium" #~ msgstr "ununpentij" #~ msgid "Ununseptium" #~ msgstr "ununseptij" #~ msgid "Ununoctium" #~ msgstr "ununoktij" #~ msgid "Engines" #~ msgstr "Programniki" #~ msgid "Axes" #~ msgstr "Osi" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Izriše osi x, y in z ob viru" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Izriše predmete kot kroglice (atome) in palice (vezi)" #~ msgid "Dipole" #~ msgstr "Dipol" #~ msgid "Hydrogen Bond" #~ msgstr "Vodikove vezi" #~ msgid "Renders hydrogen bonds" #~ msgstr "Izriše vodikove vezi" #~ msgid "Select Atom Labels Color" #~ msgstr "Izbor barve oznake atoma" #~ msgid "Select Bond Labels Color" #~ msgstr "Izbor barve oznake vezi" #~ msgid "Select Bond Labels Font" #~ msgstr "Izbor pisave oznake vezi" #~ msgid "Polygon" #~ msgstr "Mnogokotnik" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "" #~ "Izriše atome v tetraedrično, oktaedrično oziroma z drugimi mnogokotniki." #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Izriše skelet proteina s trakovi" #~ msgid "Ring" #~ msgstr "Obroči" #~ msgid "Renders rings with colored planes" #~ msgstr "Izriše obroče v barvnih ravninah" #~ msgid "Simple Wireframe" #~ msgstr "Enostavno žično ogrodje" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Izriše vezi kot žično ogrodje (črte)" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waalsovi radii" #~ msgid "Stick" #~ msgstr "Paličice" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Elektronska gostota, izo-površina = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, izo-površina = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "Izriše vezi kot črte, kar je koristno pri velikih molekulah" #~ msgid "Trajectory files" #~ msgstr "Datoteke trajektorij" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Datoteke zgodovine DL-POLY" #~ msgid "Open Trajectory File" #~ msgstr "Odpri datoteko trajektorij" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Dodajanje pripone .avi" #~ msgid "Animation..." #~ msgstr "Animiranje ..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Ni mogoče prebrati datoteke zapisa %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Branje podatkov iz datoteke trajektorij %1 je spodletelo." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Navesti je treba veljavno datoteko .avi" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "Gradnik GL ni uspešno začet za shranjevanje posnetka." #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Neveljavno ime datoteke posnetka. Navedena mora biti polna pot do mape." #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Neveljavno ime datoteke posnetka. Navedena mora biti polna pot do mape in " #~ "ime datoteke s pripono .avi." #~ msgid "Could not determine format from filename: %1" #~ msgstr "Ni mogoče določiti zapisa iz imena datoteke: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Animiranje trajektorij, reakcij in vibracij." #~ msgid "Cartesian Editor" #~ msgstr "Kartezijski urejevalnik" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Za molekulo ni navedene osnovne celice, zato ni mogoče uporabiti delnih " #~ "koordinat." #~ msgid "Cartesian Editor..." #~ msgstr "Kartezijski urejevalnik ..." #~ msgid "Cartesian editor" #~ msgstr "Kartezijski urejevalnik" #~ msgid "Number of atoms: %1" #~ msgstr "Število atomov: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Število vrtljivih vezi: %1" #~ msgid "Add constraint" #~ msgstr "Dodaj omejitev" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "Molekula mora vsebovati vsaj en atom pred dodajanjem omejitev." #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Molekula mora vsebovati vsaj dva atoma pred dodajanjem omejitev vezi." #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Molekula mora vsebovati vsaj tri atome pred dodajanjem omejitev kotov." #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Molekula mora vsebovati vsaj štiri atome pred dodajanjem omejitev torzije." #~ msgid "&Crystallography" #~ msgstr "&Kristalografija" #~ msgid "&Reduce" #~ msgstr "&Zmanjšaj" #~ msgid "&Length Unit" #~ msgstr "Enota &dolžine" #~ msgid "&Angle Unit" #~ msgstr "Enota &kotov" #~ msgid "Coordinate &Preservation" #~ msgstr "&Ohranjanje koordinat" #~ msgid "&Matrix Display" #~ msgstr "Prikaz &matrike" #~ msgid "Hide &Editors" #~ msgstr "Skrij &urejevalnike" #~ msgid "Show &Editors" #~ msgstr "Pokaži &urejevalnike" #~ msgid "Hide &Property Display" #~ msgstr "Skrij &lastnosti prikaza" #~ msgid "Show &Property Display" #~ msgstr "Pokaži &lastnosti prikaza" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Vrsta kristalne celice: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Prostorska skupina: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Prostornina osnovne celice: %L1%2" #~ msgid "Undefined" #~ msgstr "Nedoločeno" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triklinski" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoklinski" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ortorombski" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetragonalni" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Heksagonalni" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Kubični" #~ msgid "Paste Crystal" #~ msgstr "Prilepi kristal" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Nigglijevo zmanjševanje je spodletelo. Vhodna zgradba kristalne mreže ni " #~ "skladna z zahtevami Nigglijevega algoritma zmanjševanja. Morda je treba " #~ "zmanjšati perturbacijo (za približno dva velikostna razreda manj od " #~ "tolerance) vhodne mreže." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Po 1000 zmanjševanjih z izbranim algoritmom je nadaljnje zmanjševanje " #~ "celice spodletelo. Opravilo je zaustavljeno." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Zavrti na &običajno usmerjenost" #~ msgid "&Slab..." #~ msgstr "&Površinske plasti ..." #~ msgid "Perceive Space&group..." #~ msgstr "Zaznaj &prostorsko skupino ..." #~ msgid "Set &Spacegroup..." #~ msgstr "Nastavi &prostorsko skupino ..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Zapolni osnovno celico" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Zapolni osnovno celico s trenutno prostorsko skupino." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Zmanjšaj na &asimetrično enoto" #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Prilagajanje simetrije kristala" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Zmanjšaj celico (&primitivno)" #~ msgid "&Bohr" #~ msgstr "&Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometer" #~ msgid "&Picometer" #~ msgstr "&Pikometer" #~ msgid "&Degree" #~ msgstr "&Stopinja" #~ msgid "&Radian" #~ msgstr "&Radian" #~ msgid "Display &cartesian coordinates" #~ msgstr "Pokaži &kartezijske koordinate" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Ohrani &kartezijske koordinate med spreminjanjem celice" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Ohrani &delne koordinate med spreminjanjem celice" #~ msgid "Display &cartesian matrix" #~ msgstr "Izriši &kartezijsko matriko" #~ msgid "Display &fractional matrix" #~ msgstr "Pokaži &delno matriko" #~ msgid "Display as &column vectors" #~ msgstr "Izriši kot &stolpične vektorje" #~ msgid "&Crystal View Options..." #~ msgstr "&Možnosti pogleda kristala ..." #~ msgid "Set Spacegroup" #~ msgstr "Nastavi prostorsko skupino" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Ni določene prostorske skupine za ta dokument.\n" #~ "\n" #~ "Ali želite prostorsko skupino nastaviti zdaj?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Zaznana je prostorska skupina P1 - določitev simetrije te kristalografske " #~ "skupine ni mogoče.\n" #~ "\n" #~ " Ali naj se upošteva drugačna toleranca?" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Združi atome v celico" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Zmanjšaj na Nigglijevo celico" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Izbor tolerance v trenutnih kartezijskih enotah:" #~ msgid "Crystallography" #~ msgstr "Kristalografija" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Izgradnja in proučevanje periodičnih struktur." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "Vhodni podatki niso oblikovani v enem\n" #~ "izmed navedenih podprtih zapisov:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "Zapis VASP\n" #~ msgid "Bad Compostion" #~ msgstr "Slaba skladnja" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "Polje identitet mora vsebovati enako število s presledkom ločenih vnosov, " #~ "kot jih ima 6. vrstica skripta POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Kartezijske koordinate" #~ msgid "Fractional Coordinates" #~ msgstr "Delne koordinate" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Matrika celice (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Nastavi matriko osnovne celice" #~ msgid "Set Unit Cell Params" #~ msgstr "Nastavi parametre osnovne celice" #~ msgid "Working..." #~ msgstr "Poteka izvajanje opravila ..." #~ msgid "Build" #~ msgstr "Izgradi" #~ msgid "Cut Slab From Crystal" #~ msgstr "Izreži površinsko plast kristala" #~ msgid "No GLWidget?" #~ msgstr "Ali morda ni gradnika GLWidget?" #~ msgid "Please select one or more atoms." #~ msgstr "Izbrati je treba enega ali več atomov." #~ msgid "Trajectory..." #~ msgstr "Trajektorije ..." #~ msgid "Open chemical file format" #~ msgstr "Odpri zapis molekulskega modela" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Datoteke koordinat (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Odpri datoteko parametrov" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Datoteke parametrov (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Uvozi trajektorije" #~ msgid "Import trajectory files" #~ msgstr "Uvozi datoteke trajektorij" #~ msgid "Calculate Energy" #~ msgstr "Izračun energije" #~ msgid "Conformer Search..." #~ msgstr "Iskanje konformer ..." #~ msgid "Constraints..." #~ msgstr "Omejitve ..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Ni mogoče nastaviti trenutno izbranega polja sil za to molekulo. Izbira " #~ "bo preklopljena na UFF." #~ msgid "Geometric Optimization" #~ msgstr "Prilagajanje geometrije" #~ msgid "Systematic Rotor Search" #~ msgstr "Sistematično iskanje vrtljivih vezi" #~ msgid "Random Rotor Search" #~ msgstr "Naključno iskanje vrtljivih vezi" #~ msgid "Weighted Rotor Search" #~ msgstr "Uteženo iskanje vrtljivih vezi" #~ msgid "Genetic Algorithm Search" #~ msgstr "Iskanje z genetskim algoritmom" #~ msgid "ForceField" #~ msgstr "Polje sil" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Prilagajanje molekul in ustvarjanje konformer z uporabo molekulsko " #~ "mehanskega polja sil." #~ msgid "&Vector Graphics..." #~ msgstr "&Vektorska grafika ..." #~ msgid "Common vector image formats" #~ msgstr "Vektorski zapisi" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Izvoz vektorske grafike" #~ msgid "Change H to Methyl" #~ msgstr "Zamenjaj vodik (H) z metilno skupino (CH3)" #~ msgid "H to Methyl" #~ msgstr "H- -> CH3-" #~ msgid "H2Methyl" #~ msgstr "H- -> CH3-" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Zamenjaj atome vodika z metilno skupino" #~ msgid "Add or remove hydrogens" #~ msgstr "Dodajanje ali odstranjevanje vodikov" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Vstavi verige DNA/RNA" #~ msgid "Peptide..." #~ msgstr "Peptidi ..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Vstavi oligopeptidno zaporedje" #~ msgid "Invert Chirality" #~ msgstr "Vstavi kiralni center" #~ msgid "InvertChiral" #~ msgstr "Obrnjeni kiralni centri" #~ msgid "Invert chiral centers" #~ msgstr "Obrni kiralne centre" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "neznano" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Ocenjeni dipolni moment (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Pokaži običajne lastnosti molekule." #~ msgid "Fetch by chemical name..." #~ msgstr "Pridobi po imenu kemijske strukture ..." #~ msgid "Fetch from URL..." #~ msgstr "Pridobi strukturo preko naslova URL ..." #~ msgid "PDB Entry" #~ msgstr "Struktura PDB" #~ msgid "PDB entry to download." #~ msgstr "Struktura PDB za prejem s strežnika." #~ msgid "URL" #~ msgstr "Naslov URL do strukture" #~ msgid "URL of molecule to download." #~ msgstr "Naslov URL do strukture molekule za prejem." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Navedene molekule ni mogoče naložiti: %1" #~ msgid "Network Fetch" #~ msgstr "Pridobivanje preko omrežja" #~ msgid "Fetch molecule files over the network." #~ msgstr "Pridobivanje datoteke molekulskih struktur preko omrežja." #~ msgid "OrcaExtension Warning" #~ msgstr "Opozorilo razširitve Orca" #~ msgid "OrcaExtension" #~ msgstr "Razpiritev Orca" #~ msgid " No vibration data found!" #~ msgstr " Ni najdenih podatkov vibracij" #~ msgid " No vibration data found or molecule changed outside Orca Plugin!" #~ msgstr "" #~ " Ni najdenih podatkov vibracij ali pa je molekula spremenjena izven " #~ "vstavka Orca!" #~ msgid "extended Geometry File" #~ msgstr "razširjena datoteka geometrije" #~ msgid "Read Orca Outputfile" #~ msgstr "Preberi odvod vstavka Orca" #~ msgid "no file found" #~ msgstr "ni najdene datoteke" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Datoteka strukture je napačno zapisana" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "Datoteka strukture je napačno zapisana - osnovne celice" #~ msgid "Something is wrong in the IR output! " #~ msgstr "Prišlo je do napake v odvodu podatkov IR! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "Prišlo je do napake v odvodu podatkov raman! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "Prišlo je do napake v odvodu podatkov energije orbital! " #~ msgid "No geometry found in file!" #~ msgstr "Ni najdene datoteke geometrije!" #~ msgid "Could not read file!" #~ msgstr "Ni mogoče prebrati datoteke!" #~ msgid "Analyse Orca Output..." #~ msgstr "Preučevanje odvoda Orca ..." #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "Orca Test Example" #~ msgstr "Preizkusni primer Orca" #~ msgid "Show Preview" #~ msgstr "Pokaži predogled" #~ msgid "Hide Preview" #~ msgstr "Skrij predogled" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Shrani sliko izrisa s POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Slikovne datoteke (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray ..." #~ msgid "No valid filename was supplied." #~ msgstr "Ni podanega veljavnega imena datoteke." #~ msgid "Does not compute." #~ msgstr "Se ne izračuna." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Ni izbrana možnost neposrednega izrisovanja s POV-Ray in ni izbrana " #~ "možnost shranjevanja slike. Odvod ne bo shranjen. Ali želite nadaljevati?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Ni mogoče pisati v datoteko %1. Ali so določena ustrezna krajevna " #~ "dovoljenja?" #~ msgid "POV-Ray failed to start." #~ msgstr "Zagon programnika POV-Ray je spodletel." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "Zagon programnika POV-Ray je spodletel. Morda pot do izvedljive datoteke " #~ "ni pravilna." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Ustvarjanje datotek POV-Ray in izrisovanje z uporabo ukazne vrstice." #~ msgid "Conformer Properties..." #~ msgstr "Lastnosti konformere ..." #~ msgid "Python Terminal" #~ msgstr "Terminal Python" #~ msgid "pythonTerminalDock" #~ msgstr "Terminalsko sidrišče Python" #~ msgid "Interactive python scripting terminal" #~ msgstr "Skriptni terminal Python" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Opozorilo ustvarjalnika skripta Abinit" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Ali naj se posodobi besedilo predogleda in zavrže vse spremembe okna " #~ "predogleda skripta Abinit?" #~ msgid "Abinit_Input_Deck" #~ msgstr "Skript Abinit" #~ msgid "Abinit Running." #~ msgstr "Programnik Abinit je zagnan." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Programnik Abinit je že zagnan. Pred končanjem izračunavanja ga ni mogoče " #~ "ponovno zagnati." #~ msgid "Abinit Not Installed." #~ msgstr "Programnik Abinit ni nameščen." #~ msgid "The abinit executable cannot be found." #~ msgstr "Izvedljive datoteke abinit ni mogoče najti." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Datoteke pseudo (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *." #~ "upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "Programnik abinit ni zagnan. Morda ni pravilno nameščen." #~ msgid "Running Abinit calculation..." #~ msgstr "Izvajanje preračunavanja Abinit ..." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Programnik Abinit ni pravilno zagnan. Morda ni pravilno nameščen." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Opozorilo ustvarjalnika skripta Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Ali naj se posodobi besedilo predogleda in zavrže vse spremembe okna " #~ "predogleda skripta Dalton?" #~ msgid "QM Matches" #~ msgstr "KM zadetki" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Izbor EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "KM izbor ..." #~ msgid "Delete" #~ msgstr "Izbriši" #~ msgid "You must make a selection!" #~ msgstr "Nekaj predmetov je treba izbrati!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Pretvorbe SMILES niso podprte" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Pretvorbe zapisa SMILES niso podprte!" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Ustvarjanje vhodnih datotek za kvantni kemijski paket GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Napredne nastavitve so spremenjene" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Zahtevnejše nastavitve programa so spremenjene.\n" #~ "Ali naj se zavržejo?" #~ msgid "Advanced Settings Reset" #~ msgstr "Ponastavitev zahtevnejših nastavitev" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Ali ste prepričani, da želite ponastaviti napredne nastavitve?\n" #~ "Vse spremembe bodo izgubljene." #~ msgid "Basic Settings Reset" #~ msgstr "Ponastavitev osnovnih nastavitev" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Ali ste prepričani, da želite ponastaviti osnovne nastavitve?\n" #~ "Vse spremembe bodo izgubljene." #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Opozorilo ustvarjalnika skripta GAMESS-UK" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Ali naj se posodobi besedilo predogleda in zavrže vse spremembe okna " #~ "predogleda skripta GAMESS-UK?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Skript GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Opozorilo ustvarjalnika skripta Gaussian" #~ msgid "Gaussian Input Deck" #~ msgstr "Skript Gaussian" #~ msgid "Gaussian Running." #~ msgstr "Programnik Gaussian je zagnan." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Programnik Gaussian je že zagnan. Pred končanjem izračunavanja ga ni " #~ "mogoče ponovno zagnati." #~ msgid "Gaussian Not Installed." #~ msgstr "Programnik Gaussian ni nameščen." #~ msgid "The G03 executable, cannot be found." #~ msgstr "Zagonljive datoteke G03 ni mogoče najti." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "Programnik G03 ni zagnan. Morda ni pravilno nameščen." #~ msgid "Running Gaussian calculation..." #~ msgstr "Izvajanje Gaussovega preračunavanja ..." #~ msgid "G03 Crashed." #~ msgstr "Programnik G03 se je sesul." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Programnik Gaussian ni pravilno zagnan. Morda ni pravilno nameščen." #~ msgid "&Abinit..." #~ msgstr "&Abinit ..." #~ msgid "&Dalton..." #~ msgstr "&Dalton ..." #~ msgid "&Gaussian..." #~ msgstr "&Gaussian ..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO ..." #~ msgid "&NWChem..." #~ msgstr "&NWChem ..." #~ msgid "&PSI4..." #~ msgstr "&PSI4..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem ..." #~ msgid "&TeraChem..." #~ msgstr "&TeraChem ..." #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Opozorilo ustvarjalnika skripta Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Ali naj se posodobi besedilo predogleda in zavrže vse spremembe okna " #~ "predogleda skripta Molpro?" #~ msgid "Molpro Input Deck" #~ msgstr "Skript Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Opozorilo skripta MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Skript MOPAC" #~ msgid "MOPAC Running." #~ msgstr "Programnik MOPAC je zagnan." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "Programnik MOPAC je že zagnan. Pred končanjem izračunavanja ga ni mogoče " #~ "ponovno zagnati." #~ msgid "MOPAC Not Installed." #~ msgstr "Programnik MOPAC ni nameščen." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Izvedljive datoteke MOPAC ni mogoče najti." #~ msgid "MOPAC failed to start." #~ msgstr "Zagon Programnika MOPAC je spodletel." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "Programnik MOPAC ni zagnan. Morda ni pravilno nameščen." #~ msgid "Running MOPAC calculation..." #~ msgstr "Poteka izvajanje izračunov MOPAC ..." #~ msgid "MOPAC Crashed." #~ msgstr "Programnik MOPAC se je sesul." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Programnik MOPAC ni pravilno zagnan. Morda ni pravilno nameščen." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Opozorilo ustvarjalnika skripta NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Ali naj se posodobi besedilo predogleda in zavrže vse spremembe okna " #~ "predogleda skripta NWChem?" #~ msgid "NWChem Input Deck" #~ msgstr "Skript NWChem" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Opozorilo ustvarjalnika skripta Q-Chem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Ali naj se posodobi besedilo predogleda in zavrže vse spremembe okna " #~ "predogleda skripta Q-Chem?" #~ msgid "QChem Input Deck" #~ msgstr "Skript Q-Chem" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "Opozorilo ustvarjalnika skripta TeraChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Ali naj se posodobi besedilo predogleda in zavrže vse spremembe okna " #~ "predogleda skripta TeraChem?" #~ msgid "TeraChem Input Deck" #~ msgstr "Skript TeraChem" #~ msgid "Select SMARTS..." #~ msgstr "Izbor SMARTS ..." #~ msgid "Add Named Selection..." #~ msgstr "Dodaj poimenovan izbor ..." #~ msgid "SMARTS Selection" #~ msgstr "Izbor SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Izbor vzorca SMARTS" #~ msgid "There is no current selection." #~ msgstr "Ni trenutnega izbora." #~ msgid "Add Named Selection" #~ msgstr "Dodaj poimenovan izbor" #~ msgid "Name cannot be empty." #~ msgstr "Ime ne sme biti prazno" #~ msgid "There is already a selection with this name." #~ msgstr "Izbor s tem imenom že obstaja" #~ msgid "Selections" #~ msgstr "Izbori" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Izbor atomov, vezi, preostankov ..." #~ msgid "GLSL Shaders..." #~ msgstr "Senčilniki GLSL ..." #~ msgid "Open a vertex shader source file" #~ msgstr "Odpri izvorno datoteko senčilnika Vertex" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Datoteke senčilnika Vertex (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Odpri izvorno datoteko senčilnika Fragment" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Datoteke senčilnika Fragment (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Odpri datoteko parametrov senčilnika" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Datoteke parametrov senčilnika (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "Senčilniki GLSL" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Nalaganje in uporaba senčilnikov OpenGL 2.0 GLSL." #~ msgid "Intensity (arb. units)" #~ msgstr "Intenziteta (poljubne enote)" #~ msgid "Density of States (states/cell)" #~ msgstr "Gostota stanj (stanja/celice)" #~ msgid "Density of States (states/atom)" #~ msgstr "Gostota stanj (stanja/atomi)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Gostota stanj (stanja/valenčni elektroni)" #~ msgid "Transmittance (%)" #~ msgstr "Transmitanca (%)" #~ msgid "Absorbance (%)" #~ msgstr "Absorbanca (%)" #~ msgid "No intensities" #~ msgstr "Brez intenzitet" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Podatki vibracij molekule ne vsebujejo tudi podatkov o intenziteti " #~ "vibracij. Manjkajoče vrednosti so nastavljene na poljubne vrednosti za " #~ "predočenje." #~ msgid "Activity" #~ msgstr "Aktivnost" #~ msgid "X Axis" #~ msgstr "Os X" #~ msgid "Y Axis" #~ msgstr "Os Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Nastavitve &Infrardečega spektra" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "Nastavitve spektra &NMR" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "Spekter UV" #~ msgid "&UV Settings" #~ msgstr "Nastavitve &UV" #~ msgid "&CD Settings" #~ msgstr "Nastavitve &CD" #~ msgid "&Raman Settings" #~ msgstr "Nastavitve &Ramanskega spektra" #~ msgid "No data" #~ msgstr "Ni podatkov" #~ msgid "Dark" #~ msgstr "Temna" #~ msgid "Publication" #~ msgstr "Objavna" #~ msgid "Handdrawn" #~ msgstr "Ročno risana" #~ msgid "New Scheme" #~ msgstr "Nova shema" #~ msgid "Confirm Scheme Removal" #~ msgstr "Potrdi odstranjevanje sheme" #~ msgid "Really remove current scheme?" #~ msgstr "Ali naj se trenutna shema res odstrani?" #~ msgid "Change Scheme Name" #~ msgstr "Spremeni ime sheme" #~ msgid "Enter new name for current scheme:" #~ msgstr "Vnos novega imena trenutne sheme:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "S tabulatorji ločene vrednosti (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "S tabulatorji ločene vrednosti" #~ msgid "Comma Separated Values" #~ msgstr "Z vejico ločene vrednosti" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Uvoz podatkov spektra" #~ msgid "Unknown extension: %1" #~ msgstr "Neznana razširitev: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf UV podatki (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomole UV podatki (kontrola)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Turbomole UV podatki (spekter)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Podatki Turbomole CD (cdspekter)" #~ msgid "Data Format" #~ msgstr "Zapis podatkov" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Zapis:" #~ msgid "Load Spectral Data" #~ msgstr "Naloži podatke spektra" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Datoteka Turbomole CD ni pravilno oblikovana : %1" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image File Format" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "Shrani sliko spektra" #~ msgid "&Advanced <<" #~ msgstr "&Napredno <<" #~ msgid "&Advanced >>" #~ msgstr "&Napredno >>" #~ msgid "&Spectra..." #~ msgstr "&Spektri ..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Predočenje spektralnih podatkov kvantnih kemijskih izračunov" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Analiza vibracij" #~ msgid "No vibrational displacements exist." #~ msgstr "Vibracijski premiki ne obstajajo." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Predočenje vibracijskih podatkov kvantnih kemijskih izračunov" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Razvrščanje %1 vibracij po frekvenci ..." #~ msgid "Pause" #~ msgstr "Premor" #~ msgid "Super Cell Builder..." #~ msgstr "Izgrajevalnik supercelice ..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Trenutno je izrisana le ena molekula. Ustvariti je treba osnovno celico." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Izgradi in prikaži kristalografsko supercelico" #~ msgid "Molecular Orbitals..." #~ msgstr "Molekulske orbitale ..." #~ msgid "Orbitals" #~ msgstr "Orbitale" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Brez" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waalsovi radii" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Elektronska gostota" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Napaka - nedoločena vrsta" #~ msgid "Calculating VdW Cube" #~ msgstr "Izračunavanje Van der Waalsove kocke" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Izračunavanje MO %L1" #~ msgid "VdW" #~ msgstr "Van der Waalsovi radii" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "Površine elektrostatskih potencialov še niso podprte." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Izračunavanje molekulskih orbital in drugih površin" #~ msgid "&Nanotube Builder..." #~ msgstr "Izgrajevalnik &nanocevk" #~ msgid "Nanotube Builder" #~ msgstr "Izgrajevalnik nanocevk" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Neveljavno določilo nanocevke" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "Zahtevane nanocevke ni mogoče izgraditi zaradi napake:\n" #~ "\n" #~ "Vrednost n ali m mora biti večja od 1." #~ msgid "Insert Nanotube" #~ msgstr "Vstavi nanocevko" #~ msgid "SWCNT Builder" #~ msgstr "Izgrajevalnik SWCNT" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Izgradnja enostavnih ogljikovih nanocevk." #~ msgid "Building..." #~ msgstr "Izgradnja ..." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "Gradnik GL ni uspešno začet za ustvarjanje video posnetka." #~ msgid "GL widget has no molecule" #~ msgstr "Gradnik GL ne zazna molekule" #~ msgid "Building video " #~ msgstr "Izgradnja video posnetka " #~ msgid "Could not run mencoder." #~ msgstr "Ukaza mancoder ni mogoče zagnati." #~ msgid "Set Aspect Ratio" #~ msgstr "Nastavitev razmerje velikosti" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Velikost trenutnega pogleda je %1x%2 slikovnih točk v razmerju stranic " #~ "%3.\n" #~ "Ta vrednost je pomembna pri uporabi izrisovalnika POV-Ray\n" #~ "če želite izrisati sliko velikosti %4x1000 točk. Mogoče je vnesti " #~ "katerokoli pozitivno vrednost,\n" #~ "na primer 1, če želite izrisati sliko velikosti 1000x1000 slikovnih točk." #~ msgid "VRML..." #~ msgstr "VRML ..." #~ msgid "Connect" #~ msgstr "Poveži" #~ msgid "Disconnect" #~ msgstr "Prekini povezavo" #~ msgid "&WiiTrack" #~ msgstr "&Sledilnik Wii" #~ msgid "Wii Tracking" #~ msgstr "Sledenje s sledilnikom Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Zaznavanje gibanja s sledilnikom Wii." #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Neveljavna vsebina OpenGL.\n" #~ "Ali je nekaj povsem uničeno v nastavitvah OpenGL (ali programi s podporo " #~ "OpenGL delujejo?) ali pa je napaka še neodkrit hrošč." #~ msgid "Debug Information" #~ msgstr "Podrobnosti razhroščevanja" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Velikost pogleda: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "Modelski pogled vrstice 1: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "Modelski pogled vrstice 2: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "Modelski pogled vrstice 3: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "Modelski pogled vrstice 4: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Število atomov: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: indeks %1 je izven veljavnega obsega." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Vrsta datoteke '%1' ni podprta za branje." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Vrsta datoteke za datoteko '%1' ni podprta za branje." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Branje molekule z indeksom %1 iz datoteke '%2' je spodletelo." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "zamenjava molekule: indeks %1 je izven veljavnega obsega." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Vrsta datoteke '%1' ni podprta za pisanje." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Vrsta datoteke za datoteko '%1' ni podprta za pisanje." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Datoteke '%1' ni mogoče odpreti za branje." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Zamenjava molekule z indeksom %1 iz datoteke '%2' je spodletelo." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Datoteke %1 ni mogoče odpreti za branje." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Datoteke %1 ni mogoče odpreti za pisanje." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Shranjevanje datoteke molekule je spodletelo - ni mogoče preimenovati " #~ "izvorne datoteke." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Shranjevanje datoteke molekule je spodletelo - nove datoteke ni mogoče " #~ "preimenovati." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Shranjevanje datoteke molekule je spodletelo - ni mogoče odstraniti stare " #~ "datoteke." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Zapisovanje molekule v datoteko '%1' je spodletelo. Izvajanje funkcije " #~ "OpenBabel je spodletelo." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Datoteke %1 ni mogoče odpreti za pisanje." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Zapisovanje konformer v datoteko '%1' je spodletelo." #~ msgid "Molecule %1" #~ msgstr "Molekula %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Neznan programnik Python" #~ msgid "N/A" #~ msgstr "N/A" #~ msgid "PythonEngine: checking " #~ msgstr "Programnik Python: poteka preverjanje " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - v skriptu ni naveden razred 'Engine'" #~ msgid " - no module" #~ msgstr " - ni modula" #~ msgid "Unknown Python Extension" #~ msgstr "Neznana razširitev Python" #~ msgid "PythonExtension: checking " #~ msgstr "Razširitev Python: poteka preverjanje " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - v skriptu ni naveden razred 'Extension'" #~ msgid "Unknown Python Tool" #~ msgstr "Neznano orodje Python" #~ msgid "PythonTool: checking " #~ msgstr "Orodje Python: poteka preverjanje " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - v skriptu ni naveden razred 'Orodje'" #~ msgid "Tools" #~ msgstr "Orodja" #~ msgid "Align:" #~ msgstr "Poravnava:" #~ msgid "Everything" #~ msgstr "Vse" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Orodje za samodejno prilagajanje\n" #~ "\n" #~ "S klikom na prazen prostor, se omogočijo funkcije krmarjenja.\n" #~ "Levi gumb miške: \tZavrti prostor\n" #~ "Srednji gumb miške: Približaj prostor\n" #~ "Desni gumb miške: \tPremakni prostor\n" #~ "Dvojni klik: \t Počisti pogled\n" #~ "\n" #~ "Ob zagonu:\n" #~ "Levi klik: \tS klikom in vlečenjem je mogoče atome premikati." #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "Samodejno prilagajanje: ni mogoče nastaviti polja sil ..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "Samodejno prilagajanje: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Število omejitev: %1" #~ msgid "Steps per Update:" #~ msgstr "Koraki posodobitve:" #~ msgid "Algorithm:" #~ msgstr "Aalgoritem:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Molekularna dinamika (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Molekularna dinamika (900K)" #~ msgid "Start" #~ msgstr "Začni" #~ msgid "Fixed atoms are movable" #~ msgstr "Potrjeni atomi so premakljivi" #~ msgid "Ignored atoms are movable" #~ msgstr "Prezrti atomi so premakljivi" #~ msgid "AutoOpt Molecule" #~ msgstr "Samodejno prilagajanje molekule" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Samodejno prilagajanje molekulske geometrije" #~ msgid "AutoOptimization Settings" #~ msgstr "Nastavitve samodejnega prilagajanja" #~ msgid "Auto Rotation Tool" #~ msgstr "Orodje za samodejno vrtenje" #~ msgid "x rotation:" #~ msgstr "Vrtenje po X:" #~ msgid "x rotation" #~ msgstr "Vrtenje po osi X." #~ msgid "y rotation:" #~ msgstr "Vrtenje po Y:" #~ msgid "y rotation" #~ msgstr "Vrtenje po osi Y." #~ msgid "z rotation:" #~ msgstr "Vrtenje po Z:" #~ msgid "z rotation" #~ msgstr "Vrtenje po osi Z." #~ msgid "Automatic rotation of molecules" #~ msgstr "Samodejno vrtenje molekul na zaslonu." #~ msgid "AutoRotate Settings" #~ msgstr "Nastavitve samodejnega vrtenja" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Dolžina vezi: %L1" #~ msgid " Show Angles" #~ msgstr " Pokaži kote" #~ msgid "Snap-to Threshold: " #~ msgstr "Prag pripenjanja: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Premeščaj in spreminjaj vezi" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Premeščanje in spreminjanje dolžine in kotov vezi ter torzije" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Nastavitve premeščanja in spreminjanja vezi" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Razdalja (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Razdalja (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Dihedralni kot: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Razdalje:" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Izmera dolžine in kotov vezi in dihedralnih kotov" #~ msgid "Draw Bond" #~ msgstr "Nariši vez" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Risanje in urejanje atomov in vezi" #~ msgid "Draw Settings" #~ msgstr "Nastavitve risanja" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Preslikovanje, vrtenje in položajno prilagajanje atomov in molekul" #~ msgid "Manipulate Settings" #~ msgstr "Nastavitve premeščanja in spreminjanja vezi" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Preslikovanje, vrtenje in približanje pogleda atomov in molekul" #~ msgid "Navigate Settings" #~ msgstr "Nastavitve krmarjenja" #~ msgid "Selection Mode:" #~ msgstr "Način izbire:" #~ msgid "Atom/Bond" #~ msgstr "Atom/Vez" #~ msgid "Residue" #~ msgstr "Preostanek" #~ msgid "Add Center of Atoms" #~ msgstr "Dodaj središče atoma" #~ msgid "Change color of the atom" #~ msgstr "Spremeni barvo atoma" #~ msgid "Change label of the atom" #~ msgstr "Spremeni oznako atoma" #~ msgid "Change label of the bond" #~ msgstr "Spremeni oznako vezi" #~ msgid "Change radius of the atom" #~ msgstr "Spremeni radij atoma" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Nov radij, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Izbor atomov, preostankov in molekul" #~ msgid "Symbol" #~ msgstr "Simbol" #~ msgid "Bond Length" #~ msgstr "Dolžina vezi" #~ msgid "Dihedral Angle" #~ msgstr "Dihedralni kot" #~ msgid "Z Matrix Editor..." #~ msgstr "Urejevalnik matrike Z ..." #~ msgid "Z-Matrix" #~ msgstr "Matrika Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Ustvarjanje in urejanje matrike Z" #~ msgid "Z-Matrix Settings" #~ msgstr "Nastavitve matrike Z" #~ msgid "Color residues by:" #~ msgstr "Barva po ostanku:" #~ msgid "Amino Colors" #~ msgstr "Barve aminokislin" #~ msgid "Hydrophobicity" #~ msgstr "Hidrofobnost" #~ msgid "Axes:" #~ msgstr "Osi:" #~ msgid "Cartesian Axes" #~ msgstr "Kartezijske osi" #~ msgid "Orthogonal Axes" #~ msgstr "Ortogonalne osi" #~ msgid "Axis 1:" #~ msgstr "Os 1:" #~ msgid "Axis 2:" #~ msgstr "Os 2:" #~ msgid "Axis 3:" #~ msgstr "Os 3:" #~ msgid "Origin:" #~ msgstr "Izvor:" #~ msgid "Norm" #~ msgstr "Norma" #~ msgid "Preserve vector norms" #~ msgstr "Ohrani norme vektorja" #~ msgid "Atom Radius:" #~ msgstr "Radij atoma:" #~ msgid "Bond Radius:" #~ msgstr "Radij vezi:" #~ msgid "Shape" #~ msgstr "Oblika" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "C" #~ msgid "Loop" #~ msgstr "Zanka" #~ msgid "Dipole:" #~ msgstr "Dipol:" #~ msgid "Custom Vector" #~ msgstr "Vektor po meri" #~ msgid "Custom:" #~ msgstr "Po meri:" #~ msgid "Cut-off radius:" #~ msgstr "Izključitveni radij:" #~ msgid "Cut-off angle:" #~ msgstr "Izključitveni kot:" #~ msgid "Rendering Engine:" #~ msgstr "Programnik izrisovanja:" #~ msgid "TextRenderer" #~ msgstr "Izrisovalnik besedila" #~ msgid "QPainter" #~ msgstr "QRisalnik" #~ msgid "Text:" #~ msgstr "Besedilo:" #~ msgid "Symbol & Number in Group" #~ msgstr "Simbol in številka v skupini" #~ msgid "Symbol & Atom number" #~ msgstr "Številka simbola in atoma" #~ msgid "Partial charge" #~ msgstr "Delni naboj" #~ msgid "Residue number" #~ msgstr "Število ostanka" #~ msgid "Custom data" #~ msgstr "Podatki po meri" #~ msgid "Change Font" #~ msgstr "Spremeni pisavo" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Zamik oznake:" #~ msgid "Bond length" #~ msgstr "Dolžina vezi" #~ msgid "Bond number" #~ msgstr "Število vezi" #~ msgid "Bond order" #~ msgstr "Vrsta vezi" #~ msgid "Lines" #~ msgstr "Črte" #~ msgid "Radius:" #~ msgstr "Radij:" #~ msgid "Include Nitrogens" #~ msgstr "Vključi dušike" #~ msgid "VdW Opacity:" #~ msgstr "Prekrivnost Van der Waalsovega polja:" #~ msgid "Orbital:" #~ msgstr "Orbitala:" #~ msgid "Render:" #~ msgstr "Izriši:" #~ msgid "Fill" #~ msgstr "Zapolni" #~ msgid "Points" #~ msgstr "Točke" #~ msgid "Draw Box:" #~ msgstr "Izriši prostor:" #~ msgid "Style:" #~ msgstr "Slog:" #~ msgid "Mapped Colors" #~ msgstr "Preslikane barve" #~ msgid "Positive" #~ msgstr "Pozitiv" #~ msgid "Negative" #~ msgstr "Negativ" #~ msgid "Show Atoms" #~ msgstr "Pokaži atome" #~ msgid "Animate Trajectory" #~ msgstr "Animiranje trajektorij" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Zanka" #~ msgid "Save as .avi..." #~ msgstr "Shrani kot .avi ..." #~ msgid "Angstroms" #~ msgstr "Angstremi" #~ msgid "Bohrs" #~ msgstr "Bohri" #~ msgid "Fractional" #~ msgstr "Delno" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, le koordinate" #~ msgid "GAMESS Input #2" #~ msgstr "Skript GAMESS #2" #~ msgid "Priroda Input" #~ msgstr "Skript Priroda" #~ msgid "Apply Changes" #~ msgstr "Uveljavi spremembe" #~ msgid "Cut All" #~ msgstr "Izreži vse" #~ msgid "Paste to the End" #~ msgstr "Prilepi na koncu" #~ msgid "(None)" #~ msgstr "(Brez)" #~ msgid "Sort by " #~ msgstr "Razvrsti po " #~ msgid "Number of atoms:" #~ msgstr "Število atomov:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Število vrtljivih vezi:" #~ msgid "Add Constraints" #~ msgstr "Dodajanje omejitev" #~ msgid "Ignore Atom" #~ msgstr "Prezri atom" #~ msgid "Fix Atom" #~ msgstr "Popravi atom" #~ msgid "Fix Atom X" #~ msgstr "Popravi atom X" #~ msgid "Fix Atom Y" #~ msgstr "Popravi atom Y" #~ msgid "Fix Atom Z" #~ msgstr "Popravi atom Z" #~ msgid "Torsion angle" #~ msgstr "Kot torzije" #~ msgid "Add" #~ msgstr "Dodaj" #~ msgid "Save" #~ msgstr "Shrani" #~ msgid "Load" #~ msgstr "Naloži" #~ msgid "Atomic &identites:" #~ msgstr "Atomske &identitete:" #~ msgid "Surface Slab Builder" #~ msgstr "Izgrajevalnik površinskih plasti" #~ msgid "Plane:" #~ msgstr "Ravnina:" #~ msgid "&Miller Indices:" #~ msgstr "&Millerjevi indeksi:" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Opozorilo: Millerjevi indeksi morajo biti vrednosti večje od nič" #~ msgid "Width (x)" #~ msgstr "Širina (x)" #~ msgid "Width (y)" #~ msgstr "Širina (y)" #~ msgid "Height (z)" #~ msgstr "Višina (z)" #~ msgid "length" #~ msgstr "dolžina" #~ msgid "cell repeats" #~ msgstr "ponovitev celice" #~ msgid "&Translate " #~ msgstr "&Preslikaj " #~ msgid "by arbitrary vector" #~ msgstr "po poljubnem vektorju" #~ msgid "selected atom to unit cell center" #~ msgstr "izbrani atomi v središče osnovne celice" #~ msgid "Translation vector:" #~ msgstr "Vektor preslikave:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "&Vektorske enote:" #~ msgid "Cartesian" #~ msgstr "Kartezijski" #~ msgid "&Translate" #~ msgstr "&Preslikaj" #~ msgid "Crystal View Options" #~ msgstr "Možnosti pogleda kristala" #~ msgid "Unit Cell Repeats:" #~ msgstr "Ponovitev osnovne celice:" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Ali naj se osnovne celice izrišejo?" #~ msgid "One" #~ msgstr "Ena" #~ msgid "All" #~ msgstr "Vse" #~ msgid "Color..." #~ msgstr "Barva ..." #~ msgid "View Along:" #~ msgstr "Pogled vzdolž:" #~ msgid "Default View" #~ msgstr "Privzet pogled" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Millerjevi indeksi" #~ msgid "File Import..." #~ msgstr "Uvoz datoteke ..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Ali naj se izvede samodejno zaznavanje vezi?" #~ msgid "Setup Force Field" #~ msgstr "Nastavitev polja sil" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Število korakov" #~ msgid "Algorithm" #~ msgstr "Algoritem" #~ msgid "Alanine" #~ msgstr "Alanin" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Arginin" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Asparagin" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "Asparaginska kislina" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Cistein" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "Glutaminska kislina" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Glutamin" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Glicin" #~ msgid "Gly" #~ msgstr "Gly" #~ msgid "Histidine" #~ msgstr "Histidin" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "Izoleucin" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Valine" #~ msgstr "Valin" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyrosine" #~ msgstr "Tirozin" #~ msgid "Tyr" #~ msgstr "Tyr" #~ msgid "Tryptophan" #~ msgstr "Triptofan" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "Treonin" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "Serin" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Prolin" #~ msgid "Phenylalanine" #~ msgstr "Fenilalanine" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "Metionin" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Lizin" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "Leucin" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "Zaporedje (v smeri N -> C):" #~ msgid "Stereochemistry:" #~ msgstr "Stereokemija:" #~ msgid "L" #~ msgstr "L" #~ msgid "N Terminus:" #~ msgstr "N konec:" #~ msgid "C Terminus:" #~ msgstr "C konec:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Structure:" #~ msgstr "Zgradba:" #~ msgid "Straight Chain" #~ msgstr "Ravna veriga" #~ msgid "Alpha Helix" #~ msgstr "Alfa heliks" #~ msgid "Beta Sheet" #~ msgstr "Plošča beta" #~ msgid "Pi Helix" #~ msgstr "Heliks Pi" #~ msgid "Phi:" #~ msgstr "Fi:" #~ msgid "Psi:" #~ msgstr "Psi:" #~ msgid "Chain Number:" #~ msgstr "Številka verige:" #~ msgid "The chain number for the new peptide" #~ msgstr "Številka verige novega peptida" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Število ostankov" #~ msgid "Energy (kJ/mol):" #~ msgstr "Energija (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Dipolni moment (D):" #~ msgid "Basic" #~ msgstr "Osnovno" #~ msgid "Comment" #~ msgstr "Opomba" #~ msgid "Frequency" #~ msgstr "Frekvenca" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Format" #~ msgstr "Oblika" #~ msgid "Advanced" #~ msgstr "Napredno" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "RijCosX" #~ msgstr "RijCosX" #~ msgid "Aux. ECP" #~ msgstr "Aux. ECP" #~ msgid "ZORA" #~ msgstr "ZORA" #~ msgid "IORA" #~ msgstr "IORA" #~ msgid "DKH" #~ msgstr "DKH" #~ msgid "Order" #~ msgstr "Red" #~ msgid "Corr. ECP" #~ msgstr "Corr. ECP" #~ msgid "MOs" #~ msgstr "MOs" #~ msgid "Small" #~ msgstr "Majhno" #~ msgid "Large" #~ msgstr "Veliko" #~ msgid "Factor" #~ msgstr "Faktor" #~ msgid "Accuracy" #~ msgstr "Natančnost" #~ msgid "KDIIS" #~ msgstr "KDIIS" #~ msgid "SOSCF" #~ msgstr "SOSCF" #~ msgid "NRSCF" #~ msgstr "NRSCF" #~ msgid "AHSCF" #~ msgstr "AHSCF" #~ msgid "SCF Type" #~ msgstr "Vrsta SCF" #~ msgid "GridX" #~ msgstr "GridX" #~ msgid "Grid" #~ msgstr "Mreža" #~ msgid "POV-Ray Export" #~ msgstr "Izvoz POV-Ray" #~ msgid "Select..." #~ msgstr "Izberi ..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Uporabi glajenje celote" #~ msgid "Antialias" #~ msgstr "Glajenje robov" #~ msgid "Set the background color to be transparent" #~ msgstr "Nastavitev barve ozadja na prozorno barvo" #~ msgid "Alpha transparency" #~ msgstr "Alfa prosojnost" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Izriši molekule neposredno preko ukazne vrstice z POV-Ray." #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Ohrani vir POV-Ray po končanem izrisu" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Ohrani vir POV-Ray po izrisu" #~ msgid "Path:" #~ msgstr "Pot:" #~ msgid "Abinit Input" #~ msgstr "Skript Abinit" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Kartezijski (angstremi)" #~ msgid "Reduced" #~ msgstr "Zmanjšano" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Meja ravnega vala (Ha):" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Toleranca sil (Ha/Bohr):" #~ msgid "Max lattice expansion:" #~ msgstr "Največja razširitev kristalne mreže:" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "premik točke-k:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Število pasov:" #~ msgid "# k-point shifts:" #~ msgstr "# premikov točk-k:" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "Mejna mreže ravnega vala (Ha):" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Shema zapolnitve:" #~ msgid "SCF tolerance type:" #~ msgstr "Vrsta tolerance SCF:" #~ msgid "Wave Function norm" #~ msgstr "Norma valovne funkcije" #~ msgid "Relative Force" #~ msgstr "Relativna sila" #~ msgid "1 - semiconducting" #~ msgstr "1 - polprevodno" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 - Fermi Dirac" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 - hladno razmazanje (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 - Gaussovo razmazanje" #~ msgid "Smearing width (Ha):" #~ msgstr "Širina razmazanja (Ha):" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 - brez gibajočih ionov " #~ msgid "1 - viscous damping" #~ msgstr "1 - viskozno dušenje" #~ msgid "2 - BFGS " #~ msgstr "2 - BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 - BFGS z energijo" #~ msgid "# Geometrical time steps:" #~ msgstr "# geometričnih časovnih korakov:" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Glajenje kinetične energije (Ha):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Izračunaj ..." #~ msgid "Dalton Input" #~ msgstr "Skript Dalton" #~ msgid "Basics" #~ msgstr "Osnove" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Doda vpis podrobnosti v nazivni vrstici vnosne datoteke\n" #~ "kot opisne podatke vsebine." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Poplov način" #~ msgid "Jensen's polarization consistent" #~ msgstr "Jensenova polarizacijska skladnost" #~ msgid "Dunning's correlation consistent" #~ msgstr "Dunningova korelacijska skladnost" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Korelacijske funkcije notranjih elektronov" #~ msgid "Diffuse functions" #~ msgstr "Funkcije difuzije" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Neposredno" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Opravila naj se izvajajo vzporedno, če je mogoče. Ta možnost je na voljo\n" #~ "pri valovnih funkcijah SCF in izračunih DFT. Skript dalton podpira v " #~ "trenutni\n" #~ "različici programa le sistem MPI, ki mora biti pravilno izgrajen in " #~ "nameščen.\n" #~ "Število vozlišč je določeno z možnostjo \"-N #\" med izvedbo skripta " #~ "\"dalton\"." #~ msgid "Parallel" #~ msgstr "Vzporedno" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "ČrnoBelo" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Določila mreže" #~ msgid "Partitioning Scheme:" #~ msgstr "Shema razdeljevanja:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (izvorni)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Kakovost mreže:" #~ msgid "coarse" #~ msgstr "grobo" #~ msgid "normal" #~ msgstr "običajno" #~ msgid "fine" #~ msgstr "dobra" #~ msgid "ultrafine" #~ msgstr "glajeno" #~ msgid "Radial Scheme:" #~ msgstr "Radialna shema:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Pokaže vse funkcionalne skupine" #~ msgid "Property:" #~ msgstr "Lastnost:" #~ msgid "Polarizability" #~ msgstr "Polarizabilnost" #~ msgid "Frequency Dependent" #~ msgstr "Frekvenčna odvisnost" #~ msgid "No. excitations:" #~ msgstr "Število vzbujenj" #~ msgid "EFP Matches" #~ msgstr "Zadetki EFP" #~ msgid "Group Label:" #~ msgstr "Oznaka skupine:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Napredne nastavitve" #~ msgid "Hessian" #~ msgstr "Hessova matrika" #~ msgid "Stat Point" #~ msgstr "Stacionarna točka" #~ msgid "System" #~ msgstr "Sistem" #~ msgid "MO Guess" #~ msgstr "Ugibanje MO" #~ msgid "Misc" #~ msgstr "Razno" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "Polarizacijske funkcije težkih atomov #D:" #~ msgid "Read" #~ msgstr "Preberi" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Difuzne orbitale S pri težjih atomih" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Difuzne orbitale L pri težjih atomih" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Dvojna z valenca" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Binning/Curtiss DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Trojna z valenca" #~ msgid "SBKJA Valence" #~ msgstr "Valenca SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "Valenca Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Vrsta ECP:" #~ msgid "Default" #~ msgstr "Privzeto" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "Polarizacijske funkcije težkih atomov #F:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "Polarizacijske funkcije lažjih atomov:" #~ msgid "Max SCF Iterations:" #~ msgstr "Največje število SCF ponovitev:" #~ msgid "Gradient" #~ msgstr "Prelivanje" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "Sedlo" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "Prehodi s sevanjem" #~ msgid "Finite Electric Field" #~ msgstr "Končno električno polje" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Splošno prilagajanje" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Prilagajanje FMO" #~ msgid "Raman Intensities" #~ msgstr "Intenziteta Ramanskih vrhov" #~ msgid "Make EFP" #~ msgstr "Ustvari EPF" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Brez (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Vrsta SCF:" #~ msgid "Localization Method:" #~ msgstr "Način lokalizacije:" #~ msgid "Exec Type:" #~ msgstr "Vrsta izvajanja:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinant" #~ msgid "CI Singles" #~ msgstr "Enojne KI (CI)" #~ msgid "Full Second Order CI" #~ msgstr "KI (CI) drugega reda" #~ msgid "General CI" #~ msgstr "Splošne KI (CI)" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: Linearni CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC z dupleti" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC z singleti in dupleti" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Običajni zagon" #~ msgid "Check" #~ msgstr "Preverjanje" #~ msgid "Debug" #~ msgstr "Razhroščevanje" #~ msgid "Molecule Charge:" #~ msgstr "Naboj molekule:" #~ msgid "Run Type:" #~ msgstr "Zaženi vrsto:" #~ msgid "Use MP2" #~ msgstr "Uporabi MP2" #~ msgid "Use DFT" #~ msgstr "Uporabi DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# spremenjljivk matrike Z" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Vrsta osnovne osi:" #~ msgid "Coordinate Type:" #~ msgstr "Vrsta koordinate:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Edinstvene kartezijske koordinate" #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrantov sistem" #~ msgid "MOPAC Z-Matrix" #~ msgstr "MOPAC matrika Z" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Med izračunavanjem upoštevaj simetrijo" #~ msgid "Point Group:" #~ msgstr "Točkovna skupina:" #~ msgid "Minutes" #~ msgstr "Minute" #~ msgid "Hours" #~ msgstr "Ure" #~ msgid "Days" #~ msgstr "Dnevi" #~ msgid "Weeks" #~ msgstr "Tedni" #~ msgid "Years" #~ msgstr "Leta" #~ msgid "Millenia" #~ msgstr "Millennia" #~ msgid "MegaWords" #~ msgstr "MegaBesede" #~ msgid "MegaBytes" #~ msgstr "Megabajti" #~ msgid "GigaWords" #~ msgstr "GigaBesede" #~ msgid "GigaBytes" #~ msgstr "Gigabajti" #~ msgid "Force Parallel Methods" #~ msgstr "Vsili vzporedne načine" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Izdelaj \"jedrno\" datoteko ob prekinitvi" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Pomnilnik:" #~ msgid "Diagonalization Method:" #~ msgstr "Način diagonalizacije" #~ msgid "Parallel Load Balance Type" #~ msgstr "Vrsta" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Zanka" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Naslednja vrednost" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Uporabi zunanji način predstave sporočil" #~ msgid "Initial Guess:" #~ msgstr "Začetni ugib:" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "Prebrane MO ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "Shranjene MO (DICTNRY)" #~ msgid "Skip" #~ msgstr "Preskoči" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Zavrti orbitale alfa in beta" #~ msgid "Print the Initial Guess" #~ msgstr "Izpiši začetni ugib" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Vmesnik GAMESS za drugovrstno kodo" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Vsili preverjanje vrste zagona" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK)" #~ msgid "Solvate with Water" #~ msgstr "Solvatiraj z vodo" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Ustvari naravne orbitale UHF" #~ msgid "Direct SCF" #~ msgstr "Direct SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Izračunaj le spremenjene v matriki" #~ msgid "Slater exchange" #~ msgstr "Slaterjeva zamenjava" #~ msgid "Becke 1988 exchange" #~ msgstr "Beckejeva 1988 zamenjava" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusairjeva (VWN5) korelacija" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parrjeva (LYP) soodnosnost" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slaterjeva zamenjava in VWN soodnosnost" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: Beckejeva zamenjava in VWN5 soodnosnost" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: Beckejeva zamenjava in LYP soodnosnost" #~ msgid "Gill 1996 exchange" #~ msgstr "Gillova 1996 zamenjava" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhofova (PBE) zamenjava" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: eno-parametrska progresivna soodnosnost" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: Slaterjeva zamenjava in LYP soodnosnost" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: Slaterjeva zamenjava in OP soodnosnost" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: Beckejeva zamenjava in OP soodnosnost" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "GVWN: Gillova zamenjava in VWN5 soodnosnost" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: Gillova zamenjava in VWN5 soodnosnost" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE zamenjava + VWN6 soodnosnost" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE zamenjava +LYP soodnosnost" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE zamenjava + OP soodnosnost" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF in Beckejeva zamenjava + LYP soodnosnost" #~ msgid "Grid-Free" #~ msgstr "Brez mreže" #~ msgid "DFT Functional:" #~ msgstr "Funkcionalna DFT:" #~ msgid "Duplicated on Each Node" #~ msgstr "Podvojeno na vsakem vozlišču" #~ msgid "Distributed Across All Nodes" #~ msgstr "Porazdeljeno preko vseh vozlišč" #~ msgid "words" #~ msgstr "besede" #~ msgid "Compute MP2 Properties" #~ msgstr "Izračunaj lastnosti MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Mejna integralna retencijska vrednost:" #~ msgid "Use Localized Orbitals" #~ msgstr "Uporabi lokalizirane orbitale" #~ msgid "# of Core Electrons:" #~ msgstr "# jedrnih elektronov:" #~ msgid "Transformation Method" #~ msgstr "Način transformacije" #~ msgid "Two Phase Bin Sort" #~ msgstr "Dvofazno razvrščanje" #~ msgid "Segmented Transformation" #~ msgstr "Transformacija po delih" #~ msgid "Numeric" #~ msgstr "Številčna" #~ msgid "Double Differenced Hessian" #~ msgstr "Dvojno diferencirana Hessova matrika" #~ msgid "Print Internal Force Constants" #~ msgstr "Izpiši konstante notranjih sil" #~ msgid "Displacement Size:" #~ msgstr "Velikost premika:" #~ msgid "Purify Hessian" #~ msgstr "Poenotena Hessova matrika" #~ msgid "Frequency Scale Factor:" #~ msgstr "Faktor merila frekvence:" #~ msgid "bohrs" #~ msgstr "bohri" #~ msgid "Initial Hessian" #~ msgstr "Začetna Hessova matrika" #~ msgid "Guess (+ define)" #~ msgstr "Ugibaj (+ določi)" #~ msgid "Read (from $HESS)" #~ msgstr "Preberi (iz $HESS)" #~ msgid "Update Step Size" #~ msgstr "Posodobi velikost koraka" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Izriši orbitale ob vsaki ponovitvi" #~ msgid "Stationary Point" #~ msgstr "Stacionarna točka" #~ msgid "Initial:" #~ msgstr "Začetno:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Prilagoditev racionalne funkcije" #~ msgid "Quadratic Approximation" #~ msgstr "Kvadratna aproksimacija" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Prilagajanje omejitev" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Preračunaj Hessovo matriko vsakih:" #~ msgid "Follow Mode:" #~ msgstr "Način sledenja:" #~ msgid "GAMESS-UK Input" #~ msgstr "Skript GAMESS-UK" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Skript GAMESS-UK, ustvarjen s programom Avogadro" #~ msgid "Transition State Search" #~ msgstr "Iskanje prehodnega stanja" #~ msgid "Basis:" #~ msgstr "Osnova:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Matrika Z" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "V neposrednem načinu integrali niso shranjeni na disk, ampak so po " #~ "potrebi vsakič\n" #~ "preračunani. Na sistemih z zmogljivimi procesorji je neposredni način " #~ "običajno hitrejši." #~ msgid "Run in direct mode:" #~ msgstr "Zaženi v neposrednem načinu:" #~ msgid "Gaussian Input" #~ msgstr "Skript Gaussian" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Običajno" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Kontrolna točka:" #~ msgid "Z-matrix (compact)" #~ msgstr "Matrika Z (skrčen pogled)" #~ msgid "MOLPRO Input" #~ msgstr "Skript MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Različica Molpro:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "Quartet" #~ msgstr "Kvartet" #~ msgid "Quintet" #~ msgstr "Kvintet" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Skript NWChem" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Skript Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Neomejeno" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "ne" #~ msgid "yes" #~ msgstr "da" #~ msgid "D2" #~ msgstr "D2" #~ msgid "D3" #~ msgstr "D3" #~ msgid "Dispersion:" #~ msgstr "Razpršitev:" #~ msgid "Load Shaders" #~ msgstr "Naloži senčilnike" #~ msgid "Shader Name:" #~ msgstr "Ime senčilnika:" #~ msgid "Vertex Shader:" #~ msgstr "Senčilnik Vertex:" #~ msgid "Fragment Shader:" #~ msgstr "Senčilnik Fragment:" #~ msgid "Assign Shader" #~ msgstr "Dodeli senčilnik" #~ msgid "Display Type:" #~ msgstr "Vrsta prikaza:" #~ msgid "Font:" #~ msgstr "Pisava:" #~ msgid "Change Font..." #~ msgstr "Spremeni pisavo ..." #~ msgid "Foreground:" #~ msgstr "Pisava:" #~ msgid "New..." #~ msgstr "Novo ..." #~ msgid "Rename..." #~ msgstr "Preimenuj ..." #~ msgid "&Schemes:" #~ msgstr "&Sheme:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "&Širina" #~ msgid "&Height" #~ msgstr "&Višina" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "palcev" #~ msgid "px" #~ msgstr "točk" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Uporabiti je treba prilagojeno vrednost velikosti pisave namesto privzete " #~ "vrednosti sheme (velikosti točk zaslona na sliko se ne prevajajo " #~ "ustrezno)." #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Samodejno prilagodi &velikost pisave" #~ msgid "Spectra Tab" #~ msgstr "Spekter" #~ msgid "&Gaussian Width:" #~ msgstr "&Gaussova širina:" #~ msgid "&Label peaks" #~ msgstr "&Oznake vrhov" #~ msgid "Rotatory Strength type:" #~ msgstr "Vrsta rotacijske moči:" #~ msgid "Energy units:" #~ msgstr "Enote energije:" #~ msgid "Density units" #~ msgstr "Enote gostote:" #~ msgid "Fermi Energy: " #~ msgstr "Fermijeva energija: " #~ msgid "States / Cell" #~ msgstr "Stanja / Celica" #~ msgid "States / Atom" #~ msgstr "Stanja / Atom" #~ msgid "States / Valence electron" #~ msgstr "Stanja / Valenčni elektroni" #~ msgid "Fermi energy at zero" #~ msgstr "Fermijeva energija pri vrednosti nič" #~ msgid "Scale integrated DOS" #~ msgstr "Prilagodi vgrajeni DOS" #~ msgid "Show integrated DOS" #~ msgstr "Pokaži vgrajeni DOS" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "Enote osi &Y:" #~ msgid "Scaling Type:" #~ msgstr "Vrsta prilagajanja merila:" #~ msgid "Relative" #~ msgstr "relativna" #~ msgid "Laser Wavenumber:" #~ msgstr "Valovna dolžina laserja:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Nucleus:" #~ msgstr "Jedro:" #~ msgid "Gaussian &Width:" #~ msgstr "Gaussova &širina:" #~ msgid "Reset &Plot Axes" #~ msgstr "Ponastavi osi &izrisa" #~ msgid "Label Peaks:" #~ msgstr "Oznake vrhov:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Molekularne vibracije" #~ msgid "Filter: " #~ msgstr "Filter: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Aktivnost (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Pokaži spekter ..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "hitrejše frekvence vibraciji se bodo pokazale kot hitrejše gibanje" #~ msgid "Animation speed set by frequency" #~ msgstr "Hitrost animacije, določena s frekvenco" #~ msgid "Display force &vectors" #~ msgstr "Prikaži vektorje sil" #~ msgid "&Normalize displacements" #~ msgstr "&Normaliziraj premik" #~ msgid "&Recalculate All" #~ msgstr "&Ponovno preračunaj" #~ msgid "Default &Quality:" #~ msgstr "Privzeta &kakovost:" #~ msgid "Show occupied orbitals first" #~ msgstr "Najprej pokaži zasedene orbitale" #~ msgid "Limit orbital precalculations to " #~ msgstr "Omeji preračunavanje orbital na " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "orbitale okoli HOMO/LUMO" #~ msgid "Surface Type:" #~ msgstr "Vrsta površine:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Nizka" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Srednja" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Visoka" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Zelo visoka" #~ msgid "Isosurface cutoff value" #~ msgstr "Izključitvena vrednost izo-površine" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "V vrsti prikaza:" #~ msgid "New Display" #~ msgstr "Nov prikaz" #~ msgid "Advanced..." #~ msgstr "Napredno ..." #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "&Dolžina:" #~ msgid "Uni&t:" #~ msgstr "Eno&ta:" #~ msgid "periodic units" #~ msgstr "periodične enote" #~ msgid "angstrom" #~ msgstr "angstrem" #~ msgid "bohr radii" #~ msgstr "bohrov radij" #~ msgid "nanometers" #~ msgstr "nanometri" #~ msgid "&Cap with hydrogen" #~ msgstr "&Izrišz z vodiki" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "Opravilo je lahko dolgotrajno. V kolikor so uporabne\n" #~ "le atomske koordinate (za kvantno-mehanske izračune),\n" #~ "je dovolj uporabiti le predstavitve z enojnimi vezmi." #~ msgid "Find &double bonds" #~ msgstr "Poišči &dvojne vezi" #~ msgid "Scale (mm/Å):" #~ msgstr "Merilo (mm/Å):" #~ msgid "Calculate Size..." #~ msgstr "Izračun velikosti ..." #~ msgid "Display visual cues" #~ msgstr "Pokaži vodila" #~ msgid "Python Settings" #~ msgstr "Nastavitve Python" #~ msgid "Z Matrix Editor" #~ msgstr "Urejevalnik matrike Z" avogadrolibs-1.100.0/i18n/sq.po000066400000000000000000007116151474375334400161200ustar00rootroot00000000000000# Albanian translation for avogadro # Copyright (c) 2011 Rosetta Contributors and Canonical Ltd 2011 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2011. # Dillon Schultz , 2021. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-11 04:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Albanian \n" "Language: sq\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:00+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "I Panjohur" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Hidrogjen" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Litium" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Berilium" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Karbon" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Azot" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Oksigjen" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Flor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Natrium" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnez" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Alumin" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silic" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Squfur" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Klor" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Potas" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Kalcium" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Skandium" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titan" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanad" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Krom" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Hekur" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nikel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Bakër" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Zink" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Galium" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Gjermanium" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsenik" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selenium" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Brominë" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Kripton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Itrium" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirkonium" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niobium" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molibden" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Teçentium" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Rutenium" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rhodium" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Argjend" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Kadmium" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Kallaj" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Tellurium" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Jod" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Ksenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Cezium" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantanum" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cerium" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodimium" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodimium" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Prometium" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Thulium" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantalum" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Tungsten" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Renium" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platin" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Ar" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Mërkur" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Talium" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Plumb" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bismut" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astatin" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Aktinium" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Torium" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protaktinium" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uranium" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Americium" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Kurium" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Kalifornium" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Ainshtainium" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Laurencium" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Radhërfordium" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Borium" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Rontgenium" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Coperniciumi" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihoniumi" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Fleroviumi" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moskoviumi" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermoriumi" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tenesini" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganesoni" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Film Vizatimor" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Detyro" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Etiketa" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Skedari" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Shiriti" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Film Vizatimor" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Film Vizatimor" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "Shtojcat" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 #, fuzzy msgid "&Import" msgstr "&Importo" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "&Hidrogjen" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "skedarë video (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) #, fuzzy msgid "&Import..." msgstr "&Importo..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Vilson Gjeci, ,Launchpad Contributions:,Avogadro " "Team,Vilson Gjeci, ,Launchpad Contributions:,Avogadro Team,Vilson Gjeci, ," "Launchpad Contributions:,Avogadro Team,Vilson Gjeci" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,vilsongjeci@gmail.com,,,avogadro-devel@lists.sourceforge.net," "vilsongjeci@gmail.com,,,avogadro-devel@lists.sourceforge.net," "vilsongjeci@gmail.com,,,avogadro-devel@lists.sourceforge.net," "vilsongjeci@gmail.com" #, fuzzy #~| msgid "Animation..." #~ msgid "Animation Tool" #~ msgstr "Animim..." #, fuzzy #~ msgid "Filename" #~ msgstr "&Skedari" #, fuzzy #~ msgid "No" #~ msgstr "Neon" #, fuzzy #~ msgid "Import" #~ msgstr "Importo" #~ msgid "E&xtensions" #~ msgstr "Z&gjatimet" #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "Motorrët" #~ msgid "Axes" #~ msgstr "Boshtet" #~ msgid "Polygon" #~ msgstr "Poligon" #~ msgid "Ring" #~ msgstr "Unaza" #~ msgid "Stick" #~ msgstr "Ngjit" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Duke shtuar zgjatimin .avi" #~ msgid "Trajectory..." #~ msgstr "Trajektorja" avogadrolibs-1.100.0/i18n/sr.po000066400000000000000000014316071474375334400161220ustar00rootroot00000000000000# Serbian translation for avogadro # Copyright (c) 2011 Rosetta Contributors and Canonical Ltd 2011 # This file is distributed under the same license as the avogadro package. # Мирослав Николић , 2012—2016, 2020. # Danial K , 2021. # Nathan , 2021. # Nikola Matić , 2021. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-16 14:01+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Serbian \n" "Language: sr\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=3; plural=(n%10==1 && n%100!=11 ? 0 : n%10>=2 && " "n%10<=4 && (n%100<10 || n%100>=20) ? 1 : 2);\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Пaketni Posao #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Nije navedena poruka." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "script --print-options izlaz mora biti JSON objekt na najvišem nivou. " "Primljen:\n" "%1" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "Vraćeno je upozorenje bez niza." #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "'upozorenja' član nije niz." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Referentna datoteka '%1' ne postoji." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "Greška pri popunjavanju datoteke %1: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Datoteka „%1“ je loše formirana. Nedostaju članovi 'contents' ili 'filePath' " "stringa." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Neispravan unos datoteke: naziv datoteke/sadržaj nedostaju ili ne sadrže " "nizove:\n" "%1" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Neispravan unos datoteke u indeksu %1: Nije objekat." #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "'files' član nije niz." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "nedostaje član 'files'." #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "'mainFile' član se ne odnosi na unos u 'files'." #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "'mainFile' član mora biti string." #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "Odgovor mora biti JSON objekt na najvišem nivou." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Izlaz skripte:\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Greška raščlanjivanja kod pomaka %L1: ' %2'\n" "Sirovi JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:346 #, fuzzy, qt-format #| msgid "" #| "Error writing molecule representation to string: Unrecognized file " #| "format: %1" msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Greška pri pisanju prikaza molekula u niz: Neprepoznat format datoteke: %1" #: molequeue/inputgenerator.cpp:354 #, fuzzy, qt-format #| msgid "Error writing molecule representation to string: %1" msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Greška pri pisanju prikaza molekula u niz: %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Greška pri generisanju cjson objekta: Greška raščlanjivanja pri pomaku %1: " "%2\n" "Sirovi JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Generator greške cjson objekt: Raščlanjeni JSON nije objekt:\n" "%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "Generator unosa (greška)" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "%1 Generator ulaza" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Nastavi" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Zatvori" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Nepoznato" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "Sledeci fajl je modifikovan:\n" "\n" "%1\n" "\n" "Da li želite da zamenite svoje izmene tako da odražavaju novu geometriju ili " "opcije posla?" msgstr[1] "" "Sledeci fajlovi su modifikovani:\n" "\n" "%1\n" "\n" "Da li želite da zamenite svoje izmene tako da odražavaju novu geometriju ili " "opcije posla?" msgstr[2] "" "Sledeci fajlovi su modifikovani:\n" "\n" "%1\n" "\n" "Da li želite da zamenite svoje izmene tako da odražavaju novu geometriju ili " "opcije posla?" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Želite li da zamenite izmenjene ulazne datoteke?" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "Došlo je do problema tokom generisanja ulaza:" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "Nema ulaznih datoteka za čuvanje!" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "Nije moguće povezati se sa MoleQueue" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Nije moguće povezati se sa serverom MoleQueue. Uverite se da radi i " "pokušajte ponovo." #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "Predloži %1 proračun" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "Posao nije uspeo" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "Posao nije uspešno završen." #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "Skripta vraća upozorenja:\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "Sakrij i upozorenja" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "Prikaži i upozorenja" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "Došlo je do greške:" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "Odaberite naziv izlazne datoteke" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" "Interna greška: nije moguće pronaći tekstualni vidžet za naziv datoteke '%1'" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Izlazna Greška" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Zapisivanje u datoteku %1 nije uspelo." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Izaberite izlazni direktorijum" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Direktorijum ne postoji!" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Direktorijum se ne može čitati!" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: Datoteka će biti prepisana." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: Datoteka nije za pisanje." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "Ulazne datoteke se ne mogu upisati zbog nepoznate greške." #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Ulazne datoteke se ne mogu zapisati:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Ulazne datoteke se ne mogu zapisati:\n" "\n" "%1\n" "\n" "Upozorenja:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Upozorenje:\n" "\n" "%1\n" "\n" "Da li želite da nastavite?" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Zapišite ulazne datoteke" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "Konfigurišite posao" #: molequeue/molequeuedialog.cpp:57 #, fuzzy #| msgid "Submitting job to MoleQueue..." msgid "Submitting job to MoleQueue…" msgstr "Slanje posla u MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Vremensko ograničenje za predaju posla" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro je istekao čekajući na odgovor od MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, fuzzy, qt-format #| msgid "Waiting for job %1 '%2' to finish..." msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Čeka se završetak posla %1 “ %2” …" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "Prestani čekati" #: molequeue/molequeuedialog.cpp:105 #, fuzzy #| msgid "Fetching completed job information..." msgid "Fetching completed job information…" msgstr "Preuzimanje završenih informacija o poslu…" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "Vremensko ograničenje za pronalaženje posla" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro je istekao u čekanju na detalje o završenom poslu iz MoleQueue -a." #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "Greška pri predaji posla" #: molequeue/molequeuedialog.cpp:128 #, fuzzy, qt-format #| msgid "The job has been rejected by MoleQueue: %1" msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "MoleQueue je odbio posao: %1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Nije izabran nijedan program." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "Molimo izaberite željeni program sa liste „Red i program“." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Klijent nije uspeo da pošalje posao u MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Unutrašnja greška." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Nije moguće rešiti izbor programa. Ovo je greška." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Nijedan molekul nije postavljen u BackgroundFileFormat -u!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Nije postavljen „Io::FileFormat“ u „BackgroundFileFormat“-u!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "U BackgroundFileFormat -u nije postavljeno ime datoteke!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "Podeli Horizontalno" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "Podeli Vertikalno" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Vodonik" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Helijum" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Litijum" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Berilijum" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Ugljenik" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Azot" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Kiseonik" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Flor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Natrijum" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnezijum" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Aluminijum" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silicijum" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Sumpor" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Hlor" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Kalijum" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Kalcijum" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Skandijum" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titanijum" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadijum" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Hrom" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Gvožđe" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nikl" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Bakar" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Cink" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Galijum" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germanijum" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsen" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selen" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Kripton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidijum" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Stroncijum" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Itrijum" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Cirkonijum" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niobijum" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molibden" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Tehnecijum" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Rutenijum" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rodijum" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Paladijum" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Srebro" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Kadmijum" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indijum" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Kalaj" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Telur" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Jod" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Ksenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Cesijum" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Barijum" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantan" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cerijum" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Prazeodijum" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodijum" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Prometijum" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samarijum" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europijum" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinijum" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbijum" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Disprozijum" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmijum" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbijum" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Tulijum" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Iterbijum" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutecijum" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnijum" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantalijum" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Volfram" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Renijum" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmijum" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridijum" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platina" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Zlato" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Živa" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Talijum" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Olovo" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bizmut" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonijum" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astat" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Francijum" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radijum" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Aktinijum" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Torijum" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protaktinijum" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uranijum" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptunijum" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutonijum" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Americijum" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Kirijum" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berklijum" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Kalifornijum" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Ajnštajnijum" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermijum" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendeljevium" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelijum" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Lorencijum" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Radefordijum" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnijum" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Siborgijum" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Borijum" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hasijum" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Mitnerijum" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmštatijum" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Rentgenijum" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Kopernicijum" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihonijum" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flerovijum" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moskovijum" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermorijum" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tenesin" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganeson" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "Razgledaj" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "Izaberi fajl:" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "Izaberite izvršnu datoteku:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "Nije moguće pronaći odgovarajući čitač datoteka za izabranu datoteku." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "Nije moguće pronaći odgovarajući pisač datoteka za izabrani format." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "manipulatori" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "manipulator" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "čitači" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "čitaj" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "pisači" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "piši" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" "Otkriveno je više %1 koji mogu %2 u ovom formatu. Koje treba koristiti?" #: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "Све датотеке" #: qtgui/fileformatdialog.cpp:282 #, fuzzy #| msgid "All supported formats (%1);;" msgid "All supported formats" msgstr "Svi podržani formati" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "Greška pri čitanju prikaza molekula: Neprepoznat format datoteke: %1" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Greška pri pisanju prikaza molekula u niz: Neprepoznat format datoteke: %1" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Greška pri pisanju prikaza molekula u niz: %1" #: qtgui/jsonwidget.cpp:86 #, fuzzy msgid "'userOptions' missing." msgstr "'userOptions' nedostaje." #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "Opcija '%1' se ne odnosi na objekat." #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'tzpe' nije niz za opciju '%1'." #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Naslov" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "Baza imena datoteka" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "Jezgra Procesora" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "Vrsta proračuna" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "Теорија" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Osnovno" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "Naelektrisanje" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "Višestrukost" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "Greška: vrednost mora biti objekat za ključ '%1'." #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Neprepoznat tip opcije „%1“ za opciju „%2“." #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "Greška pri podešavanju podrazumevane opcije „%1“. Loš tip vidžeta." #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" "Greška pri podešavanju podrazumevane opcije „%1“. Loša podrazumevana " "vrednost:" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Greška pri podešavanju podrazumevane opcije „%1“. Nije moguće pronaći važeći " "indeks kombinovanog unosa iz vrednosti:" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Nedozvoljeni vidžet u collectOptions za opciju '%1'." #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "Nije podešen molekul" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Lopta i štap" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Цртани" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Kristalne rešetke" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Диполни момент" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Sila" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 #, fuzzy #| msgid "Licorice" msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Likoriš" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "Mreže" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 #, fuzzy #| msgid "QTAIM" msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Elementi simetrije" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van Der Vals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Žičani okvir" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "Bez naslova" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "Kreirajte novi prikaz" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periodična Tabla" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Greška pri pokretanju skripte „%1%2“: Isteklo je vreme čekanja na početak " "(%3)." #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Greška pri pokretanju skripte ' %1 %2': nije uspelo pisanje na stdin (len = " "%3, upisan %4 bajta, greška QProcess -a: %5)." #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Greška pri pokretanju skripte „%1%2“: Isteklo je vreme čekanja na završetak " "(%3)." #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Greška pri pokretanju skripte ' %1 %2': Abnormalni status izlaska %3 ( %4: " "%5)\n" "\n" "Izlaz:\n" "%6" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "Pokretanje skripte nije uspelo." #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "Skripta se srušila." #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "Isteklo je vremensko razdoblje za skriptu." #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "Greška pri čitanju." #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "Greška pri pisanju." #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "Nepoznata greška." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Dodaj Atom" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Ukloni Atom" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "Očisti Atome" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Izmeni Vodonike" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Izmeni Elemente" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Izmeni Element" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "Promenite Atom hibridizaciju" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "Promenite formalnu naplatu Atom -a" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "Promenite boju atoma" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Dodaj Vezu" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "Uklonjene Veze" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "Obriši Veze" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "Poredak Veze" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Izmeni Redosled Veze" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "Ispravite Veze" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "Ispravite Vezu" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "Ukloni jediničnu ćeliju" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "Izmeni ćeliju jedinice" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "Prelomi atome na ćeliju" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "Skaliraj zapreminu ćelije" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "Napravite super ćeliju" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "Niggli umanjenje" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "Zaokreni na uobičajeno usmerenje" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "Umanji na primitivnu ćeliju" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "Konvencionalizujte ćeliju" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "Simetrizujte ćeliju" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Ispuni jediničnu ćeliju" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "Umanji na asimetričnu jedinicu" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 #, fuzzy #| msgid "Change selections" msgid "Change Selection" msgstr "Promenite izbore" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Modifikuj Molekul" #: qtgui/scenepluginmodel.cpp:92 #, fuzzy #| msgid "&Settings" msgid "Settings" msgstr "Подешавања" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 #, fuzzy #| msgid "ThreeDMol HTML Block." msgid "3DMol HTML Block." msgstr "3DMol HTML Block." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Datoteka" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "&Izvezi" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Izgradi" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Element:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Поравнај" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" "Поравнајте молекуле\n" "\n" "Лево дугме миша: \tИзаберите до два атома.\n" "\t Први атом је усредиштен на првобитан положај.\n" "\t Други атом је поравнат на изабране осе.\n" "Десно дугме миша: \tПоништите поравнање.\n" "Двоструки клик: \tУсредиштите атом на првобитан положај." #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Оса:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 #, fuzzy #| msgid "selected atom to origin" msgid "Center the atom at the origin." msgstr "изабрани атом на порекло" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Поравнајте молекуле на Декартове осе" #: qtplugins/apbs/apbs.cpp:32 #, fuzzy #| msgid "Run APBS" msgid "Run APBS…" msgstr "Pokrenite APBS…" #: qtplugins/apbs/apbs.cpp:37 #, fuzzy #| msgid "Open Output File" msgid "Open Output File…" msgstr "Otvorite izlaznu datoteku…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "&Ulaz" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "Otvorite izlaznu datoteku" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX Datoteka (*.dx)" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "IO Greška" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "Greška pri čitanju strukture datoteke (%1)." #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "OpenDX Greška" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Greška pri čitanju OpenDX datoteke: %1" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "Greška pri čitanju OpenDX datoteke: Kocka nije pronađena" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Interakcija sa uslužnim programima APBS." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Otvorite PDB datoteku" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB Datoteke (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Otvorite PQR datoteku" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR Datoteke (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Greška" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Greška pri pokretanju APBS -a: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Molimo navedite PDB datoteku" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Sačuvajte ulaznu datoteku APBS" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "Uspešno!" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Ulazna datoteka zapisana u '%1'" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy #| msgid "By Custom Color..." msgid "By Custom Color…" msgstr "Proizvoljna boja…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "Element" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy #| msgid "Partial Charge" msgid "By Partial Charge…" msgstr "Делимично наелектрисање…" #: qtplugins/applycolors/applycolors.cpp:82 #, fuzzy msgid "By Secondary Structure" msgstr "секундарну структуру" #: qtplugins/applycolors/applycolors.cpp:87 #, fuzzy msgid "By Amino Acid" msgstr "Аминокиселине" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 #, fuzzy #| msgid "Spectra" msgctxt "colormap" msgid "Spectral" msgstr "Спектар" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "Primenite šeme boja na atome i ostatke." #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Pregled" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "Boje atoma" #: qtplugins/applycolors/applycolors.cpp:154 #, fuzzy msgid "Color Residues" msgstr "Обој према остатку" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "Primenite Boje" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "Neprozirnost" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Prikažite višestruke veze" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 #, fuzzy msgid "Show hydrogens" msgstr "Prikažite vodonike" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Atome predstavite kao sfere, a veze kao cilindre." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Upravljanje središnjom vezom" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "%L1°" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "%L1 Å" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Управљање средишњом везом." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Alat koji se koristi za uređivanje molekularne geometrije promenom dužina i " "uglova veze." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Vezni Atomi" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Uklonite Veze" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Konfigurišite Vezivanje…" #: qtplugins/bonding/bonding.cpp:32 #, fuzzy #| msgid "Fix Selected Atoms" msgid "Bond Selected Atoms" msgstr "Поправи изабране атоме" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "Veza" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Vezivanje" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Izvršite operacije vezivanja." #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Кичма" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Трака" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Цртани" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Цртани" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Додај средиште масе" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 #, fuzzy #| msgid "Minimum Distance:" msgid "Maximum distance:" msgstr "Maksimalni udaljenost:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 #, fuzzy msgid "Line width:" msgstr "Širina vrha:" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 #, fuzzy #| msgid "Edit Color Opacity Map..." msgid "Edit Color Opacity Map…" msgstr "Izmeni boju mape neprozirnosti…" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Proširenja" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "ColorOpacityMap" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "Uredite mape neprozirnosti boja, prvenstveno za iscrtavanje volumena." #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "&Skripte" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Greška pri čitanju izlazne datoteke „%1“:\n" "%2" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "Obrada %1" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "Podesite putanju do Python tumača:" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Izaberite tumač python-a za pokretanje spoljnih skripti.\n" "Avogadro se mora ponovo pokrenuti da bi sve promene stupile na snagu." #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "Komandne skripte" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "Pokrenite spoljne komande skripti" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 #, fuzzy #| msgid "Other" msgid "Other…" msgstr "Друго…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy #| msgid "Atomic &Coordinate Editor..." msgid "Atomic &Coordinate Editor…" msgstr "Atomski i koordinatni uređivač …" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Uređivač Dekartovog Koordinatnog sistema" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Uređivanje teksta atomskih koordinata." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Želite li da zamenite promene?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "Tekstualni dokument je izmenjen. Da li želite da odbacite promene i vratite " "se na trenutni molekul?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Premalo unosa na liniji." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Nevažeći naziv elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Naziv elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Nevažeći simbol elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Simbol elementa." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy #| msgid "By Atomic Index" msgid "Atomic index." msgstr "Pokazatelj atoma" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Nevažeći atomski broj." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Atomski broj." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Nevažeća koordinata." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X Koordinata." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y Koordinata." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z Koordinata." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' koordinata rešetke." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' koordinata rešetke." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' koordinata rešetke." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Greška pri primeni geometrije" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Nije moguće raščlaniti specifikaciju geometrije. Popravite istaknute greške " "i pokušajte ponovo.\n" "\n" "(Savet: Držite miša iznad crvenog teksta za opis greške.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Uređivanje atomskih koordinata" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Proizvoljno" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ format (simboli)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ format (imena)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ format (atomski brojevi)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Koordinate rešetki (simboli)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Koordinate rešetki (imena)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Koordinate rešetki (atomski brojevi)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "GAMESS format (simboli)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "GAMESS format (imena)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Ulaz turbomola" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "Kopiraj" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "InChI" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "Iseci" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "Očisti" #: qtplugins/copypaste/copypaste.cpp:35 #, fuzzy #| msgid "Paste" msgid "&Paste" msgstr "Nalepi" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "&Uredi" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "Greška pri isecanju molekula" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "Greška pri generisanju podataka međuspremnika." #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Izlazni format: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Greška čitača:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "Greška pri lepljenju molekula" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Ne može se nalepiti molekul: Međuspremnik prazan!" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "Greška pri čitanju podataka međuspremnika." #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Otkriveni format: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Kopiraj i nalepi" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Interakcija sa međuspremnikom." #: qtplugins/cp2kinput/cp2kinput.cpp:33 #, fuzzy msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2K ulaz" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "Generiši ulaz za CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Energija" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "Energija i sile" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 #, fuzzy msgid "Molecular Dynamics" msgstr "Molekularna Dinamika" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "Optimizacija Geometrije" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "Metode elektronske strukture (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "Molekularna Mehanika" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Hibridna kvantna klasika (još nije podržana)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "NIŠTA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "ATOMSKI" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "JEZGRO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "GUSTOĆE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "RESTARTUJ_ISTORIJU" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "NASUMIČNO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "RETKO" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "BROYEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "Konjugirani gradijenti" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "Najstrmiji spust" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "Ulazna datoteka je izmenjena. Da li želite da zamenite svoje izmene tako da " "odražavaju novu geometriju ili opcije posla?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "Želite li da zamenite izmenjenu ulaznu datoteku?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "Sačuvajte ulaznu datoteku CP2K" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "Predložite proračun CP2K" #: qtplugins/crystal/crystal.cpp:40 #, fuzzy #| msgid "Import Crystal from Clipboard" msgid "Import Crystal from Clipboard…" msgstr "Uvezite kristal iz međuspremnika …" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Uključi / isključi ćeliju jedinice" #: qtplugins/crystal/crystal.cpp:52 #, fuzzy #| msgid "Edit Unit Cell" msgid "Edit Unit Cell…" msgstr "Izmeni ćeliju jedinice…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Prelomi atome na jediničnu ćeliju" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Zaokreni na uobičajeno usmerenje" #: qtplugins/crystal/crystal.cpp:69 #, fuzzy #| msgid "Scale Cell &Volume" msgid "Scale Cell &Volume…" msgstr "Srazmeri ćeliju na &zapreminu…" #: qtplugins/crystal/crystal.cpp:74 #, fuzzy #| msgid "Build &Supercell" msgid "Build &Supercell…" msgstr "Izgradi &Super ćeliju…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Umanji ćeliju (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "&Kristal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Ukloni &jediničnu ćeliju" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Dodaj &jediničnu ćeliju" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "Uvezite kristal iz međuspremnika" #: qtplugins/crystal/crystal.cpp:175 #, fuzzy #| msgid "&Keep atoms in unit cell" msgid "Wrap atoms into the unit cell." msgstr "Задржи атоме у јединичној ћелији." #: qtplugins/crystal/crystal.cpp:177 #, fuzzy #| msgid "Rotate to Standard Orientation" msgid "Rotate the unit cell to the standard orientation." msgstr "Zaokreni na uobičajeno usmerenje" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "Niggli umanjenje kristala" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "Jedinična ćelija je već smanjena." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Kristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Alati za uređivanje/analizu specifične za kristal." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Renderirajte granice jediničnih ćelija." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Nije moguće raščlaniti tekst" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Očitavanje podataka u isporučenom formatu nije uspelo." #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "Nema prisutnih jediničnih ćelija." #: qtplugins/customelements/customelements.cpp:19 #, fuzzy #| msgid "Reassign &Custom Elements..." msgid "Reassign &Custom Elements…" msgstr "Ponovo dodeli &prilagođene elemente …" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "Manipulišite prilagođenim tipovima elemenata u trenutnom molekulu." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Prilagođeni elementi" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Iscrtaj" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Nacrtaj Atom" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "Promenite tip veze" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "Uklonite vezu" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Udaljenost:" #: qtplugins/editor/editor.cpp:268 #, fuzzy, qt-format msgid "%1 %L2" msgstr "%1 %L2" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Alat za uređivanje" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "Automatski" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Jednostruko" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Dvostruko" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Trostruko" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "&Uvezi" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB Kod" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Hemijska struktura za preuzimanje." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "Upit za %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Preuzimanje sa mreže nije uspelo" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Isteklo je vreme mreže ili neka druga greška." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Ne mogu da pronađem navedeni molekul: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Dovuci sa PDB-а..." #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "Preuzmite PDB modele iz Protein Data Banke" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Omogućite vizuelizaciju polja sila za atome molekula." #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "&Prilagodi Geometriju" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy #| msgid "Configure Bonding…" msgid "Configure…" msgstr "Konfigurišite…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy #| msgid "Import Selected Atoms" msgid "Freeze Selected Atoms" msgstr "Поправи изабране атоме" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "Izračunaj" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Енергија = %L1 %2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield optimization" msgstr "Оптимизација поља силе" #: qtplugins/forcefield/forcefield.h:50 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" msgstr "Оптимизација поља силе" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Automatsko otkrivanje (%1)" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "&GAMESS" msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESS ulaz" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Generišite ulaz za GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "Energija jedne tačke" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Geometrija ravnoteže" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Stanje prelaza" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Učestalost" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Potencijal jezgra" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gas" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Voda" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Jednostruko" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Dvostruko" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Trostruko" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Dikatjon" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Katjon" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Neutralan" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anjon" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianjon" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "Sačuvajte ulaznu datoteku GAMESS" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "Predložite proračun GAMESS -a" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Doteraj vodonike" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Dodaj vodonike" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Ukloni vodonike" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Uklonite sve vodonike" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "Dodajte/uklonite vodonike iz trenutnog molekula." #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "&Vodonici" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Vodonici" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Uvezi iz PQR -a" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Preuzmite molekul iz PQR -a." #: qtplugins/insertdna/insertdna.cpp:43 #, fuzzy #| msgid "DNA/RNA..." msgid "DNA/RNA…" msgstr "ДНА/РНА…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Umetni" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy #| msgid "Insert DNA/RNA" msgid "Insert DNA/RNA…" msgstr "Уметни ДНА/РНА…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "Урацил" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "Т" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "Тимин" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 #, fuzzy #| msgid "Insert Molecule..." msgid "Insert Molecule…" msgstr "Umetni molekul …" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 #, fuzzy #| msgid "Generating 3D molecule..." msgid "Generating 3D molecule…" msgstr "Generiše se 3D molekul …" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy #| msgid "Insert DNA" msgid "InsertDNA" msgstr "Уметни ДНА" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "Molekul…" #: qtplugins/insertfragment/insertfragment.cpp:38 #, fuzzy #| msgid "Crystal" msgid "Crystal…" msgstr "Kristal…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "Greška pri čitanju datoteke (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "Uvezi Kristal" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Umetni odlomak" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Umetni Odlomak" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Umetnite odlomke molekula da izgradite veće molekule." #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "Боја:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Ništa" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 #, fuzzy msgid "Index" msgstr "Indeks" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "Јединствени ИБ" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "Ime" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 #, fuzzy msgid "Label editor tool" msgstr "Alat za uređivanje" #: qtplugins/lammpsinput/lammpsinput.cpp:30 #, fuzzy #| msgid "&LAMMPS..." msgid "&LAMMPS…" msgstr "&ЛАМПС…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPS ulaz" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Generišite ulaz za LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Da li želite da ažurirate tekst pregleda, gubeći sve promene izvršene u oknu " "za pregled ulazne ploče Lammps?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Neprovidnost:" #: qtplugins/licorice/licorice.h:36 #, fuzzy msgid "Render atoms as licorice / sticks." msgstr "Atome pretvoriti u likoriš." #: qtplugins/lineformatinput/lineformatinput.cpp:31 #, fuzzy #| msgid "SMILES" msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 #, fuzzy #| msgid "InChI" msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "Nema opisa!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "Čitači formata linije nisu pronađeni!" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "Nije moguće učitati čitač traženog formata." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "LineFormatInput" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "Učitajte deskriptore jednorednih molekula kroz dijalog za unos." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Upravljaj" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Alat za manipulisanje" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Izmeri" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Дvostrani:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Ugao:" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "Uglovi:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Alatka za merenje" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(очекујем)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy #| msgid "Molecular Graph..." msgid "&Molecular…" msgstr "&Molekularni …" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "Pogledajte opšta svojstva molekula." #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "&Analitički" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Svojstva" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Svojstva Molekula" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Својства молекула" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 #, fuzzy #| msgid "&Export" msgid "Export CSV" msgstr "Izvezi CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 #, fuzzy #| msgid "WFN files (*.wfn);;All files (*.*)" msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV Datoteke (*.csv);;Sve Datoteke (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 #, fuzzy #| msgid "Could not open file '%1' for writing." msgid "Could not open the file for writing." msgstr "Не могу да отворим датотеку „%1“ за упис." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy #| msgid "&Export" msgid "Export…" msgstr "Izvezi …" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Navigacija" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Alatka za navigaciju" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Hemijski Naziv" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Mrežne baze podataka" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Interakcija sa mrežnim bazama podataka, strukturama upita itd." #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 #, fuzzy #| msgid "Configure Force Field..." msgid "Configure Force Field…" msgstr "Podesi polje sile…" #: qtplugins/openbabel/openbabel.cpp:59 #, fuzzy #| msgid "Conformer Search" msgid "Conformer Search…" msgstr "Претрага саобразника…" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "Spoznaj veze" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy #| msgid "Add hydrogens for pH" msgid "Add Hydrogens for pH…" msgstr "Dodaj vodonike za pH…" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "Ukloni vodonike" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "&Otvori Babel" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "Formati datoteka Open Babel nisu spremni za dodavanje." #: qtplugins/openbabel/openbabel.cpp:203 #, fuzzy #| msgid "Loading molecule from CML..." msgid "Loading molecule from Open Babel…" msgstr "Učitavanje molekula iz Open Babel -a …" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Došlo je do interne greške: OpenBabel :: readMolecule je pozvan, ali nijedan " "obabel izlaz nije dostupan za raščlanjivanje!" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "Došlo je do greške pri pokretanju programa Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "Greška pri raščlanjivanju openbabel izlaza." #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Došlo je do greške pri preuzimanju liste podržanih polja sile. (koristeći " "„%1“)." #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molekul nije važeć. Ne može se optimizirati geometrija." #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "Ne možete optimizovati geometriju pomoću Open Babel." #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "&Prilagodi Geometriju (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 #, fuzzy #| msgid "Generating MDL..." msgid "Generating…" msgstr "Generiranje …" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 #, fuzzy #| msgid "" #| "An internal error occurred while generating an CML representation of the " #| "current molecule." msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Došlo je do unutrašnje greške pri generisanju Open Babel prikaza trenutnog " "molekula." #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, fuzzy, qt-format #| msgctxt "arg is an executable file." #| msgid "Starting %1..." msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Pokretanje %1 …" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Korak %1 od %2\n" "Trenutna energija: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 #, fuzzy #| msgid "Updating molecule..." msgid "Updating molecule…" msgstr "Ažuriranje molekula …" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "Greška pri tumačenju izlaza Open Babel." #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Broj atoma u izlazu obabela (%1) ne odgovara broju atoma u originalnom " "molekulu (%2)." #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "Nije moguće otvoriti datoteku sa Open Babel." #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Nevažeći molekul: Ne može da opazi veze." #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "Opazivanje Veza (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:742 #, fuzzy #| msgid "Generating XYZ representation..." msgid "Generating XYZ representation…" msgstr "Generisanje XYZ predstavljanja …" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "Greška pri generisanju XYZ niza." #: qtplugins/openbabel/openbabel.cpp:760 #, fuzzy, qt-format #| msgid "Converting XYZ to CML with %1..." msgid "Converting XYZ to Open Babel with %1…" msgstr "Pretvaranje XYZ u Open Babel sa %1 …" #: qtplugins/openbabel/openbabel.cpp:770 #, fuzzy #| msgid "Updating molecule from CML..." msgid "Updating molecule from Open Babel…" msgstr "Ažuriranje molekula iz Open Babel -a …" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "Ne možete dodati vodonike sa Open Babel." #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "Dodaj Vodonike (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 #, fuzzy #| msgid "Generating Open Babel input..." msgid "Generating Open Babel input…" msgstr "Generisanje unosa Open Babel …" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "Greška pri generisanju unosa Open Babel." #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, fuzzy, qt-format #| msgid "Running %1..." msgid "Running %1…" msgstr "Pokreće se %1 …" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "Dodaj vodonike za pH" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 #, fuzzy #| msgid "Generating obabel input..." msgid "Generating obabel input…" msgstr "Generiranje obabel unosa …" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "Ne možete ukloniti vodonike sa Open Babel." #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "Ukloni Vodonike (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 #, fuzzy #| msgid "Reading obabel output..." msgid "Reading obabel output…" msgstr "Čitanje Obabel izlaza …" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Već pokrenut Open Babel. Sačekajte da se druga operacija dovrši i pokušajte " "ponovo." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Interakcija sa uslužnim programima OpenBabel." #: qtplugins/openmminput/openmminput.cpp:30 #, fuzzy msgid "&OpenMM Script…" msgstr "&OpenMM Izgrađivač Skripte" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMM ulaz" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Generišite ulaz za OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Da li želite da ažurirate tekst pregleda, gubeći sve promene napravljene u " "oknu za pregled OpenMM ulazne ploče?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "Tačno" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "Preklapanje referentnih osa" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "Renderirajte referentne ose u uglu ekrana." #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "Plejer" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "Pusti" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Zaustavi" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "Broj slika:" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "Kadrovi:" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " od %0" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "Dinamičke veze?" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 #, fuzzy #| msgid "Record Movie..." msgid "Record Movie…" msgstr "Snimi film…" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "Film (*.mp4)" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "Izvezi Bitmap Grafiku" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Film (*.mp4);;Film (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "Upozorenje o podršci za GIF FPS" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "GIF format datoteke ne podržava brzine kadrova veće od 100 FPS." #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "Film (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "Greška: nije moguće dodati okvir u video zapis." #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "Ne mogu da sačuvam datoteku „%1“." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Alatke za plejer" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Reprodukujte putanje" #: qtplugins/plotpdf/plotpdf.cpp:37 #, fuzzy #| msgid "Plot Pair Distribution Function..." msgid "Plot Pair Distribution Function…" msgstr "Funkcija distribucije parcela…" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "Generisanje PDF uzorka nije uspelo" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "Poruka o grešci: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Generišite i iscrtajte krivu funkcije raspodele parova." #: qtplugins/plotrmsd/plotrmsd.cpp:30 #, fuzzy #| msgid "Plot RMSD curve..." msgid "Plot RMSD curve…" msgstr "Iscrtajte krivu RMSD …" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "PlotRmsd" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "Generišite i iscrtajte RMSD krivu." #: qtplugins/plotxrd/plotxrd.cpp:35 #, fuzzy #| msgid "Plot Theoretical XRD Pattern..." msgid "Plot Theoretical XRD Pattern…" msgstr "Teoretski XRD uzorak …" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "Generisanje XRD uzorka nije uspelo" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "Pretvaranje molekula u CIF format nije uspelo." #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Čini se da su podaci pročitani iz genXrdPattern oštećeni!" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "Greška: nije moguće pronaći izvršnu datoteku genXrdPattern!" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "Greška: " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Generišite i iscrtajte teorijski XRD obrazac koristeći ObjCryst ++." #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "Ažuriraj" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "Verzija" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "Opis" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Preuzimanje %1 u %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Izdvajanje %1 u %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "%1 datoteka je završeno\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "Ekstrakcija je uspela\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "Greška pri izdvajanju: %1" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 #, fuzzy #| msgid "Download Plugins" msgid "Download Plugins…" msgstr "Preuzmite dodatke…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Preuzmite dodatke" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Preuzmite dodatke iz spremišta GitHub." #: qtplugins/ply/ply.cpp:29 #, fuzzy #| msgid "VRML Render" msgid "PLY Render…" msgstr "PLY Render…" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "Sačuvaj Datoteku" #: qtplugins/ply/ply.cpp:71 #, fuzzy #| msgid "VRML (*.wrl);;Text file (*.txt)" msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Tekstualna datoteka (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 #, fuzzy #| msgid "Render the scene using VRML." msgid "Render the scene using PLY." msgstr "Renderirajte scenu pomoću PLY -a." #: qtplugins/povray/povray.cpp:29 #, fuzzy #| msgid "POV-Ray Render" msgid "POV-Ray Render…" msgstr "POV-Ray Render…" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Tekstualni fajl (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Renderirajte scenu koristeći POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Валентност" #: qtplugins/propertytables/propertymodel.cpp:503 #, fuzzy msgid "Formal Charge" msgstr "Званично наелектрисање" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "Боја" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Атом" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Vrsta" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "Започни атом" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Заврши атом" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Поредак везе" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Величина (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 #, fuzzy msgid "Chain" msgstr "Lanci" #: qtplugins/propertytables/propertymodel.cpp:556 #, fuzzy msgid "Secondary Structure" msgstr "секундарну структуру" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Атом 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Врхунац" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Атом 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Угао (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Атом 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Атом 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "Спирала" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "Спирала" #: qtplugins/propertytables/propertymodel.cpp:939 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "Лист" #: qtplugins/propertytables/propertymodel.cpp:941 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 спирала" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "Својства атома…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "Својства везе…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Својства угла…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy #| msgid "Torsion Properties" msgid "Torsion Properties…" msgstr "Својства увијања…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "Прозори за приказивање својстава атома, везе, угла и увијања." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Својства" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Својства атома" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Својства везе" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Својства угла" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Својства увијања" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Својства саобразника" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Renderuje primitive koristeći QTAIM svojstva" #: qtplugins/qtaim/qtaimextension.cpp:41 #, fuzzy #| msgid "Molecular Graph..." msgid "Molecular Graph…" msgstr "Molekularni grafikon …" #: qtplugins/qtaim/qtaimextension.cpp:48 #, fuzzy #| msgid "Molecular Graph with Lone Pairs..." msgid "Molecular Graph with Lone Pairs…" msgstr "Molekularni grafikon sa usamljenim parovima …" #: qtplugins/qtaim/qtaimextension.cpp:55 #, fuzzy #| msgid "Atomic Charge..." msgid "Atomic Charge…" msgstr "Naelektrisanje Atoma…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Otvori WFN Datoteku" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN Datoteke (*.wfn);;Sve Datoteke (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM proširenje" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "Kvantni ulaz" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "Generišite ulaz za kvantne kodove." #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "Centar" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "Poravnajte pogled prema osama" #: qtplugins/resetview/resetview.cpp:52 #, fuzzy #| msgid "Align View to Axes" msgid "Align view to axes." msgstr "Poravnajte pogled prema osama" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Resetuj Pregled" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Manipulišite kamerom za pregled." #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "Formati datoteka skripte" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "Učitajte čitač datoteka/pisače iz spoljnih skripti." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Izaberi Sve" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Poništi Izbor" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Obrni selekciju" #: qtplugins/select/select.cpp:53 #, fuzzy #| msgid "Select by Element..." msgid "Select by Element…" msgstr "Biraj po elementu …" #: qtplugins/select/select.cpp:58 #, fuzzy #| msgid "Select by Atom Index..." msgid "Select by Atom Index…" msgstr "Biraj prema Atom indeksu …" #: qtplugins/select/select.cpp:63 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Residue…" msgstr "Odaberite prema ostatku …" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Promenite izbore" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Izaberi" #: qtplugins/select/select.cpp:180 #, fuzzy #| msgid "Select by Element..." msgid "Select Element" msgstr "Biraj elementu" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Odaberite Atome prema indeksu" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Atomi za izbor:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Odaberite Atome prema ostatku" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Ostaci za izbor:" #: qtplugins/select/select.cpp:491 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" msgstr "Odaberite ostatku" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "&Izaberi" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Izbor" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 #, fuzzy msgid "Paint Atoms" msgstr "Vezni Atomi" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Alat za selekciju" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 #, fuzzy #| msgid "New Label:" msgid "New Layer" msgstr "Нови слој" #: qtplugins/spacegroup/spacegroup.cpp:50 #, fuzzy #| msgid "Perceive Space Group" msgid "Perceive Space Group…" msgstr "Spoznaj Prostornu Grupu…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "Simetrizuj" #: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "Ispuni jediničnu ćeliju …" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "Umanji na asimetričnu jedinicu" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "Prostorna Grupa" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "Neuspeh" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Percepcija svemirske grupe nije uspela.\n" "Da li biste želeli da pokušate ponovo sa drugačijom tolerancijom?" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "Primitivno smanjenje" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "Tolerancija je trenutno podešena na: %1.\n" "Nastaviti sa ovom tolerancijom?" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Primitivno smanjenje nije uspelo.\n" "Proverite kristal i pokušajte ponovo sa drugom tolerancijom." #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Konvencionalizacija ćelije nije uspela.\n" "Proverite kristal i pokušajte ponovo sa drugom tolerancijom." #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Simetrizacija nije uspela.\n" "Proverite kristal i pokušajte ponovo sa drugom tolerancijom." #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "Izaberite toleranciju u Å:" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "Međunarodno" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "Hala" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "Herman-Mogen" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "Izaberi prostornu grupu" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "ProstornaGrupa" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "Karakteristike svemirske grupe za kristale." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgid "Spectra" msgid "Spectra" msgstr "Спектар" #: qtplugins/spectra/spectra.h:38 #, fuzzy #| msgid "Display spectra and vibrational modes." msgid "Display spectra plots." msgstr "Prikaz spektara." #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "Инфрацрвено" #: qtplugins/spectra/spectradialog.cpp:440 #, fuzzy #| msgctxt "Raman spectrum" #| msgid "Raman" msgid "Raman" msgstr "Раман" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "НМР" #: qtplugins/spectra/spectradialog.cpp:446 #, fuzzy #| msgid "electron" msgid "Electronic" msgstr "elektron" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 #, fuzzy #| msgid "&Density Of States Settings" msgid "Density of States" msgstr "Густине стања" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Изабери боју позадине" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Изабери боју првог плана" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "Изабери боју прорачунатог спектра" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "Изабери боју увезеног спектра" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 #, fuzzy #| msgid "Wavenumber (cm-1)" msgid "Wavenumbers (cm⁻¹)" msgstr "Таласни број (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "Јакост" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 #, fuzzy #| msgid "Shift (ppm)" msgid "Chemical Shift (ppm)" msgstr "Помак (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Енергија (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "Gustina" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Орбита" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Simetrija" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Стање" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "НвЗМО" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "НнСМО" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Molekularna Orbita" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Gustina Elektrona" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "МО %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "Iz Datoteke" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Create Surfaces" msgid "Create Surfaces…" msgstr "Napravi Površine…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "Izračunaj Gustinu Elektrona" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Izračunavanje molekulske orbite %L1" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "Film AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "Izvezi Film" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Film MP4 (*.mp4);;Film AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Površine" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Čitajte i iscrtavajte površine." #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Renderirajte scenu u SVG datoteci." #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "Klasa" #: qtplugins/symmetry/symmetry.cpp:41 #, fuzzy #| msgid "Symmetry" msgid "Symmetry…" msgstr "Simetrija…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Obezbedite funkcionalnost simetrije." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Renderujte elemente simetrije." #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "Grupa %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Jednostavan prikaz VdW sfera." #: qtplugins/vibrations/vibrations.cpp:27 #, fuzzy #| msgid "Vibrational Modes" msgid "Vibrational Modes…" msgstr "Režimi vibracija…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "Вибрација" #: qtplugins/vibrations/vibrations.h:37 #, fuzzy #| msgid "Display spectra and vibrational modes." msgid "Display vibrational modes." msgstr "Prikaz vibracionih režima." #: qtplugins/vrml/vrml.cpp:29 #, fuzzy #| msgid "VRML Render" msgid "VRML Render…" msgstr "VRML Render…" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Tekstualna datoteka (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Renderirajte scenu pomoću VRML -a." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Predstavi molekul kao žičani okvir." #: qtplugins/yaehmop/yaehmop.cpp:90 #, fuzzy #| msgid "Calculate band structure..." msgid "Calculate Band Structure…" msgstr "Izračunaj strukturu opsega …" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "Ne može se izračunati struktura pojasa: nema jedinične ćelije!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, fuzzy, qt-format #| msgid "Yaehmop execution failed with the following error:\n" msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "Izvršavanje Yaehmop-a nije uspelo sa sledećom greškom:\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "Očitavanje izlaza strukture opsega sa Yaehmop-a nije uspelo!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "U izlazu Yaehmop-a pronađena je samo jedna posebna k tačka! Potrebna su dva " "ili više!" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, fuzzy, qt-format #| msgid "G03 failed to start." msgid "Error: %1 failed to start" msgstr "%1 није успео да се покрене" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "Yaehmop ulaz" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Izvršite proširene Hückelove proračune sa yaehmopom." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Dijalog" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Oblik" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Postavke izračunavanja" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) #, fuzzy #| msgid "Placeholder text..." msgid "Placeholder text…" msgstr "Tekst čuvara mesta …" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Resetuj" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) #, fuzzy #| msgid "Debug script..." msgid "Debug Script…" msgstr "Otkrivanje grešaka …" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #, fuzzy #| msgid "Submit Calculation..." msgid "Submit Calculation…" msgstr "Predloži proračun …" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save Input…" msgstr "Sačuvaj ulaznu datoteku…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Red i program:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "Osveži" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" "

      Broj jezgara procesora koji treba rezervisati za ovaj " "posao.

      " #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Jezgra procesora:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" "

      Obrišite udaljene radne datoteke po završetku posla. " "Rezultati će se i dalje prvo kopirati u lokalnu predmemoriju poslova " "MoleQueue..

      " #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Izbrišite udaljene datoteke kada završite:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" "

      Potvrdite izbor da biste sprečili da se ovaj posao " "podrazumevano prikazuje u grafičkom interfejsu MoleQueue.

      " #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Sakrij posao u MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" "

      Prikažite sistemsko iskačuće obaveštenje kada se " "status posla promeni.

      " #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Prikaži obaveštenja o napretku:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Otvorite izlaz kada završite:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Preimenujte elemente" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "Umetni odlomak…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Filter:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "Unesite ime ili deo imena da biste prikazali samo datoteke koje se " "podudaraju." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Umetni" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "3DMol HTML isečak" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Kopiraj u međuspremnik" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Struktura Ulazne datoteke" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Generiši ulaz iz PDB -a" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB Datoteka:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Polje Sile:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "RAŠČLANITI" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Pokrenite PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Učitajte postojeću PQR datoteku" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR Datoteka:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "APBS ulazna datoteka" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Sačuvaj ulaznu datoteku" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Pokrenite APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Uspešno!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Učitaj strukturu datoteke" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Učitaj datoteku kocke" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial Charge" msgid "Partial Charges" msgstr "Делимично наелектрисање" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Tolerancija udaljenosti:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Minimalna udaljenost:" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "Renderirajte Volum" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "Kocka" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "Omogućite renderiranje voluma" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "Omogućite renderiranje površine" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "Isovalue" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Uređivač koordinata" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Unapred podešeno:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Jedinica udaljenosti:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Angstrom" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bor" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Format:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) #, fuzzy #| msgid "" #| "

      Specification of format. Each character indicates a " #| "value to write per atom:

      # " #| "- Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" " #| "for carbon)
      N - Element name " #| "(e.g. \"Carbon\")
      S - " #| "Element symbol (e.g. \"C\" for carbon)
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate (crystals only)
      b - 'b' lattice coordinate (crystals only)
      c - 'c' lattice coordinate " #| "(crystals only)
      _ - A " #| "literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for optimization " #| "flags
      1 - A literal 1 " #| "(\"1\"), useful for optimization flags

      " msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" "

      Specifikacija formata. Svaki znak označava vrednost " "koju treba zapisati po atomu:

      #- Atom indeks (1, 2, ..., numAtoms)
      Z- atomski broj (npr. \"6\" za ugljenik)
      G- atomski broj u stilu GAMESS (npr. „6,0“ za " "ugljenik)
      N- naziv elementa " "(npr. „Ugljenik“)
      S- simbol " "elementa (npr. \"C\" za ugljenik)
      x - X position coordinate
      y- Y koordinata pozicije
      z " "- Z koordinata pozicije
      a- 'a' " "koordinata rešetke (samo kristali)
      b - 'b' koordinata rešetke (samo kristali)
      c - 'c' koordinata rešetke (samo kristali)
      _- Doslovni prostor (\"\"), koristan za " "poravnavanje
      0 - Bukvalno 0 " "(\"0\"), korisno za zastavice optimizacije
      1- Bukvalno 1 (\"1\"), korisno za zastavice " "optimizacije

      " #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Nalepi" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Povrati" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Primeni" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2K Ulaz" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Povrati Sve" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Osnovno" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy #| msgid "Save File" msgid "Save File…" msgstr "Sačuvaj Datoteku…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Osnovna Podešavanja" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Naslov:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "Baza imena datoteka:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "Posao" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Izračunaj:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Metod:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Osnova:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Funkcionalno" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "MM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Emax Spline Spin" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Poisson EWALD tip" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Poisson EWALD Alpha" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) #, fuzzy #| msgid "Poiosson EWALD GMAX" msgid "Poisson EWALD GMAX" msgstr "Poisson EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "TAČNO" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF POGODAK" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "OUTER MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "OT T MINIMIZER" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" "Ekstenzija datoteke za konverziju Open Babel (podrazumevano - Avogadro :: " "POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Parametri superćelije" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Opcije Super Ćelije" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A Ponavljanje:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B Ponavljanje:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C Ponavljanje:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "Uređivač ćelija jedinice" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Ćelijska matrica:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Frakciona matrica:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "&Transformiši Atome" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Primeni" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Povratiti" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "&Sakrij" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Promeni zapreminu jedinične ćelije" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "Nova &Zapremina:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Faktor za skaliranje:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Trenutna Zapremina:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Natpis Teksta" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Poredak Veze:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Parametri optimizacije geometrije" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Kriterijumi konvergencije" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy #| msgid "\"Energy\" convergence:" msgid "Energy convergence:" msgstr "Konvergencija energije:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Ograničenje koraka:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " jedinice" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " koraci" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Metod optimizacije" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Polje sile:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Automatska detekcija" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS ulaz" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "u:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Višestrukost:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Sa:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Naelektrisanje:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) #, fuzzy #| msgid "Import From PQR" msgid "Import From PQR…" msgstr "Uvezi iz PQR -a…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Pretraga" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "naziv" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "oznaka" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "sinonim" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "formula" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Pretraga po: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Formula:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Preuzimanje" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Ime:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Уметни нуклеинске киселине" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "Градилац ДНА/РНА" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "ДНА" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "РНА" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Нуклеинске киселине:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Аденин" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Цитозин" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Гуанин" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy #| msgid "G" msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy #| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Низ:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "број парова базе по завоју спирале" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other" msgid "Other" msgstr "Друго" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Бр. база по спирали:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Снопови:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Jednostruko" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Dvostruko" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPS Ulaz" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Unesite komentare datoteke" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Odaberite stil jedinice koji će se koristiti tokom simulacije." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "Jedinice" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "real" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "cgs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "elektron" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Potencijal vode" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Izaberite izgled atoma koji koristi datoteka podataka." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Izgled Atoma" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "ugao" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "atomska" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "veza" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "naelektrisanje" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "dipol" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "elipsoid" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "puna" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "linija" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "meso" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "molekularan" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "peri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "sfera" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "tri" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "talasni paket" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Navedite ime koje će se koristiti za datoteku koordinata." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Datoteka koordinatnih podataka" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Ansembl" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Temperatura" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Izaberite broj Nosé-Hoover lanaca u ansamblu NVT." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "NH Lanci" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Vremenski korak za simulaciju u jedinicama prema specifikaciji \"Jedinice\"." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Korak vremena" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Naziv „XYZ“ datoteke za upis u toku simulacije." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Ispiši „XYZ“" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Broj dimenzija u sistemu." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Dimenzije" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Promeni izgled Z granice." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "fm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Promeni izgled Y granice." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Promeni izgled X granice." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) #, fuzzy #| msgid "Select bondary Styles in X, Y and Z directions." msgid "Select boundary Styles in X, Y and Z directions." msgstr "Izaberite izglede granice u pravcima X, Y i Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Granica" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Broj udvostručenih u pravcima X, Y i Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Udvostruči" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Udvostruči X pravac." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Udvostruči Y pravac." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Udvostruči Z pravac." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Ukupan broj vremenskih koraka za pokretanje simulacije." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Ukupno koraka" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Period ispisivanja" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Podesite početne brzine atoma za simulaciju." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Početne brzine" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Izaberite raspodelu početnih brzina atoma." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "gausova" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "jednolična" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "Podesite početne brzine atoma da odgovaraju ovoj temperaturi." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Uklonite linijski momentum sistema iz početnih brzina." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Nulti linijski momentum" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Uklonite ugaoni momentum sistema iz početnih brzina." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Nulti ugaoni momentum" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Upravljajte termodinamičkim izlazom za vreme simulacije." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Izlaz" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Period izlaza" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Izgled termodinamičkog izlaza." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Jedna Linija" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Više Linija" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Koristi obrazac" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy #| msgid "Generate..." msgid "Generate…" msgstr "Generiši…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Deskriptori:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Преведи преко:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Окрећи око:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Порекло" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "X осе" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y осе" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z осе" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Претрага саобразника" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Начин" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Number of conformers" msgid "Number of conformers:" msgstr "Број саобразника:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Претрага организованог ротора" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Претрага насумичног ротора" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Претрага тежинског ротора" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Претрага генетског алгоритма" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Опције генетског алгоритма" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy #| msgid "Children" msgid "Children:" msgstr "Потпроцеси:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Mutability" msgid "Mutability:" msgstr "Променљивост:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy #| msgid "\"Energy\" convergence:" msgid "Convergence:" msgstr "Konvergencija:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) #, fuzzy #| msgid "Scoring method" msgid "Scoring method:" msgstr "Начин вредновања:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "RMSD" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Algoritam optimizacije:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Tehnika pretraživanja linija:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Najstrmiji spust" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "Konjugatni gradijent" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "Jednostavno" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Njutonova Metoda" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "Ograničite neobavezne interakcije" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "Granična udaljenost Van der Valsa:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Učestalost ažuriranja para:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "elektrostatičko granično rastojanje:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "Å" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "Konvergencija \"energije\":" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "OpenMM Izgrađivač Skripte" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Scenarij posla:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "skripta" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Ulazni koordinat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Ulazna topologija:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Polje sile:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "AMBER96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "AMBER99sb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "AMBER99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "AMBER99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "AMBER03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "AMBER10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Model vode:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Implicitni rastvarač (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Platforma:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Reference" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "OpenCL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Preciznost:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "Jednostruko" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "pomešano" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "Dvostruko" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Indeks uređaja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "Indeks platforme OpenCL:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "Metoda bez veza:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "BezOdsecanja" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "OdsecanjeNePeriodično" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "OdsecanjePeriodično" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Ewald" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Ewald Tolerancija:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "Ograničenja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "HVeze" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "SveVeze" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "HUglovi" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "Tolerancija ograničenja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "Kruta voda?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "Netačno" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "Nevezan prekid:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr " nm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Slučajna početna brzina:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Temperatura generacije:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Integrator:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Langevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Verlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "Brownian" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "PromenjivaLangevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "PromenjivaVerlet" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "Vremenski korak:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr " fs" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Tolerancija grešaka:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Stopa sudara:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "/ps" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Temperatura:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Barostat:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Monte Karlo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Pritisak:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr " atm" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Barostatski interval" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Reporteri:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "StateData" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "PDB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Interval izveštaja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) #, fuzzy #| msgid "Equilibriation Steps:" msgid "Equilibration Steps:" msgstr "Koraci ravnoteže:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Koraci proizvodnje:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Minimizirati?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Maks. Koraci Minimiziranja:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "StateData opcije:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Indeks koraka" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "Vreme" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "Brzina" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Progres" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Potencijalna Energija" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Kinetička Energija" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Ukupna Energija" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "Zapremina" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "Opcije PDF grafikona" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Maksimalni radijus:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Korak (dr):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Opcije teorijskog XRD uzorka" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" "

      Proširenje vrha u osnovi (u stepenima).

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" "

      Maksimalna 2theta vrednost u stepenima.

      Podrazumevano: 162.00 °

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" "

      Širenje vrhova u osnovi u stepenima.

      Podrazumevano: 0.52958°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Broj bodova:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Širina vrha:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Talasna Dužina:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" "

      Talasna dužina rendgenskog zraka u Angstromu.

      Podrazumevano: 1.50560 Å

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" "

      Broj 2theta poena za generisanje.

      Podrazumevano: " "1000

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "Max 2*theta:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Preuzmi Izabrano" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Poluprečnik kritične tačke:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Poluprečnik putanje veze:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Kovalentna" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Stalna Veličina" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Primeni Boju" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) #, fuzzy #| msgid "Scale &Factor:" msgid "Scale Factor:" msgstr "Чинилац сразмере:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Peak width:" msgid "Peak Width:" msgstr "Širina vrha:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) #, fuzzy #| msgid "Threshold:" msgid "Peak Threshold:" msgstr "Осетљивост:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Изглед" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Прикажи" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Увези..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Подеси боју..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Увезени спектар:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Извези..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Позадина:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "Израчунати спектар:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy #| msgid "10^" msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Извези податке" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "&Затвори" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Контроле:\n" "Двоструки леви тастер: Враћа основна ограничења осе\n" "Десни тастер + превлачење: Премешта графикон\n" "Средњи тастер + превлачење: Зумира област\n" "Окретање точкића: Зумира на курзор" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "&Учитај податке..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Квалитет: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Veoma niska" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Niska" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Srednja" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Visoka" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Vrlo visoka" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Napravi Površine" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Površina:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "alpha" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "beta" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Oboj prema:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy #| msgctxt "Electrostatic potential surface type" #| msgid "Electrostatic Potential" msgid "Electrostatic Potential" msgstr "Електростатички потенцијал" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Rezolucija:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Vrednost &Isopovršine:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " K" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Светло" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Izračunaj" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Molekul" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Simetrično ekvivalentni atomi:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Simetrija zaključavanja" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Operacije" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Elementi simetrije:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Podgrupe" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Podgrupe:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Tolerancija:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Usko" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Normalno" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Labavo" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Veoma labavo" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Otkrij Simetriju" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) #, fuzzy #| msgid "Center" msgid "Centers" msgstr "Centar" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) #, fuzzy msgid "Formal Charge:" msgstr "Званично наелектрисање:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "1: Linear" msgstr "Линеарно" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) #, fuzzy #| msgid "Linear" msgid "2: Linear" msgstr "Линеарно" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "Vrsta:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) #, fuzzy #| msgid "&Copy to Clipboard" msgid "From Clipboard" msgstr "iz međuspremnik" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy #| msgid "Group %1" msgid "Groups" msgstr "Grupa" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Group %1" msgid "Group:" msgstr "Grupa:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Režimi vibracija" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Amplituda:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "Pokreni Animaciju" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "Zaustavi Animaciju" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Yaehmop Veza" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Min y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) #, fuzzy msgid " eV" msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" "

      Pre nego što označite ovu kućicu, trebalo bi da znate " "nivo Fermija. Fermijev nivo možete otkriti tako što ćete izvršiti proračun " "gustine stanja i prikazati podatke (on će biti na vrhu podataka). Osim toga, " "ako se izvrši proračun gustine stanja, Fermijev nivo će se ovde automatski " "postaviti na ono što je otkriveno tokom izračunavanja gustine stanja.

      Ako je ovo polje označeno, proverite da li je u spinboku sa desne " "strane postavljen ispravan nivo Fermija.

      Podrazumevano: isključeno" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "Zaplet Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" "

      Podesiti energije tako da nula bude Fermi? Dostupno " "samo ako iscrtavamo nivo Fermija.


      Podrazumevano: " "isključeno

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "Nula Fermi?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Num k-points connecting special k-points:" msgid "# of k-points connecting special k-points:" msgstr "Broj k-tačaka koje povezuju posebne k-tačke:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Posebne k-tačke" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Max y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "

      Nivo Fermija

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" "

      Unesite posebne k-tačke kao takve:

      L 0.5 0.5 " "0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      To je,<symbol> <" "x> <y> <z> gde su k, y i z frakcijske koordinate recipročnog " "prostora. Linije će biti povučene koje povezuju ove k-tačke na grafikonu " "redosledom kojim ste ih uneli. Imajte na umu da orijentacija vaše ćelije " "može imati uticaj na lokacije ovih tačaka recipročnog prostora.

      Ako je " "svemirska grupa kristala opažena ili postavljena, posebne k tačke će se " "automatski popuniti primitivnim ćelijama sa visokom simetrijom za tu grupu " "prostora. Postoji nekoliko grupa razmaka sa različitim tačkama visoke " "simetrije u zavisnosti od rešetke (na primer ako je a > b ili a < b)- " "to se automatski uzima u obzir.

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) #, fuzzy #| msgid "" #| "\n" #| "\n" #| "

      GM 0.0 0.0 0.0

      " msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" "

      Unesite broj k-tačaka koje će povezivati posebne k-" "tačke. Više ovih k-tačaka će izravnati grafikon, ali proračun može potrajati " "duže.

      Podrazumevano: 40

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" "

      Ograničiti y-raspon na grafikonu?

      Podrazumevano: " "isključeno

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "Ograničiti y-raspon?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" "

      Broj periodičnih dimenzija.


      Ako je " "ovo podešeno na 1, materijal će biti periodičan samo duž A vektora kristala." "


      Ako je ovo podešeno na 2, materijal će biti periodičan " "duž A i B vektora kristala.


      Ako je ovo postavljeno na 3, " "materijal će biti periodičan duž vektora A, B i C kristala.


      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "Prikazati Yaehmop ulaz?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" "Doprinosioci nа „Launchpad“-u:Danilo Nušić,Nikola Petković,Ivan Starčević," "Miroslav Nikolić,Nikola M" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" "\"miroslavnikolic@rocketmail.com\",\"ivanstar61@gmail.com\"," "\"nikolamatic225@gmail.com\"" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #, fuzzy #~ msgid "eV)" #~ msgstr " eV" #~ msgid "Partial Charge" #~ msgstr "Делимично наелектрисање" #, fuzzy #~| msgid "" #~| "Bond Centric Manipulation Tool\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view.\n" #~| "\n" #~| "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~| "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~| "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Алат за управљање средишњом везом\n" #~ "\n" #~ "Леви тастер: \tПритисните и превуците да заокренете преглед.\n" #~ "Средњи тастер: Притисните и превуците да приближите или удаљите.\n" #~ "Десни тастер: \tПритисните и превуците да преместите преглед.\n" #~ "Двоструки: \tВраћа преглед.\n" #~ "\n" #~ "Леви притисак и превлачење на вези за подешавање равни управљања:\n" #~ "Леви притисак и превлачење једног атома у вези за промену угла\n" #~ "Десни притисак и превлачење једног атома у вези за промену дужине" #, fuzzy #~| msgid "" #~| "Draw Tool (F8)\n" #~| "\n" #~| "Left Mouse: \tClick and Drag to create Atoms and Bonds\n" #~| "Right Mouse: \tDelete Atom" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Алат за цртање (Ф8)\n" #~ "\n" #~ "Леви тастер: \tПритисните и превуците да направите атоме и везе\n" #~ "Десни тастер: \tОбришите атом" #, fuzzy #~| msgid "" #~| "Click to Measure (F12)\n" #~| "\n" #~| "Left Mouse: \tSelect up to three Atoms.\n" #~| "\tDistances are measured between 1-2 and 2-3\n" #~| "\tAngle is measured between 1-3 using 2 as the common point\n" #~| "Right Mouse: \tReset the measurements.Double-Click: \tReset the view." #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Притисните да измерите (Ф12)\n" #~ "\n" #~ "Леви тастер: \tИзаберите до три атома.\n" #~ "\t\tРастојања се мере између 1-2 и 2-3\n" #~ "\t\tУгао се мери између 1-3 а 2 заједничка тачка\n" #~ "Десни тастер: \tВраћа мерења.\n" #~ "Двоструки: \tВраћа преглед." #, fuzzy #~| msgid "" #~| "Navigation Tool (F9)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Алат кретања (Ф9)\n" #~ "\n" #~ "Леви тастер: \tПритисните и превуците да заокренете преглед\n" #~ "Средњи тастер: Притисните и превуците да увећате или да умањите\n" #~ "Десни тастер: \tПритисните и превуците да преместите преглед.\n" #~ "Двоструки: \tВраћа преглед." #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Анимација" #, fuzzy #~| msgid "Van der Waals (AO)" #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van Der Vals (AO)" #, fuzzy #~| msgid "" #~| "Manipulation Tool (F10)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to move atoms\n" #~| "Middle Mouse: Click and drag to move atoms further away or closer\n" #~| "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Алат управљања (Ф10)\n" #~ "\n" #~ "Леви тастер: \tПритисните и превуците да преместите атоме\n" #~ "Средњи тастер: Притисните и превуците да удаљите атоме или да их " #~ "прибижите\n" #~ "Десни тастер: \tПритисните и превуците да заокренете изабране атоме.\n" #~ "Двоструки: \tВраћа преглед." #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "Jednostavan prikaz VdW sfera sa ambijentalnom okluzijom." #~ msgid "Geometry" #~ msgstr "Геометрија" #~ msgid "Add Unit Cell" #~ msgstr "Dodajte jedinčnu ćeliju" #~ msgid "By Atomic Index" #~ msgstr "Pokazatelj atoma" #, fuzzy #~ msgid "By Distance" #~ msgstr "Udaljenost:" #, fuzzy #~| msgid "Select by Atom Index..." #~ msgid "Select Water…" #~ msgstr "Biraj prema Atom indeksu ..." #, fuzzy #~| msgid "Copy" #~ msgid "&Copy" #~ msgstr "Kopiraj" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "ЈУПАК назив молекула:" #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Molekularna masa (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Hemijska formula:" #~ msgid "Number of Atoms:" #~ msgstr "Broj atoma:" #~ msgid "Number of Bonds:" #~ msgstr "Broj veza:" #~ msgid "TODO" #~ msgstr "URADITI" #, fuzzy #~ msgid "Line Size:" #~ msgstr "Širina vrha:" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "Оптимизација" #, fuzzy #~ msgid "In." #~ msgstr "u:" #~ msgid "ABPS Input (*.in)" #~ msgstr "ABPS ulaz (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "Izaberite tumač python-a koji se koristi za pokretanje skripti generatora " #~ "ulaza.\n" #~ "Avogadro se mora ponovo pokrenuti da bi sve promene stupile na snagu." #, fuzzy #~| msgid "Set Python Path..." #~ msgid "Set Python Path…" #~ msgstr "Podesi Python putanju ..." #, fuzzy #~| msgid "Fragments" #~ msgid "Fragment…" #~ msgstr "Одломци" #, fuzzy #~| msgid "Functional" #~ msgid "Functional Groups" #~ msgstr "Funkcionalno" #~ msgid "Help..." #~ msgstr "Pomoć..." #~ msgid "Submit Calculation..." #~ msgstr "Predloži proračun ..." #~ msgid "Save File..." #~ msgstr "Sačuvaj Datoteku..." #~ msgid "Download Plugins..." #~ msgstr "Preuzmite dodatke ..." #~ msgid "Record Movie..." #~ msgstr "Snimi film..." #~ msgid "Other..." #~ msgstr "Drugo..." #~ msgid "Client server operations." #~ msgstr "Operacije klijentskog servera." #~ msgid "S&erver" #~ msgstr "S&erver" #~ msgid "Connection failed" #~ msgstr "Veza nije uspostavljena" #, qt-format #~ msgid "The connection to %2:%3 failed: connection refused." #~ msgstr "Veza sa %2: %3 nije uspela: veza je odbijena." #~ msgid "Remote service error" #~ msgstr "Greška u daljinskom servisu" #, qt-format #~ msgid "Connection failed with: %1" #~ msgstr "Veza nije uspela sa: %1" #, qt-format #~ msgid "clientServer/%1:%2/lastOpenDir" #~ msgstr "clientServer/%1:%2/lastOpenDir" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*.%1" #~ msgid "Client server" #~ msgstr "Klijent server" #~ msgid "Connection refused" #~ msgstr "Konekcija je odbijena" #, qt-format #~ msgid "Connection to %2:%3 succeeded!" #~ msgstr "Povezivanje sa %2: %3 je uspelo!" #~ msgid "Filename" #~ msgstr "Naziv datoteke:" #~ msgid "Formula" #~ msgstr "Formula" #~ msgid "InChIKey" #~ msgstr "InChIKey" #~ msgid "&MongoChem" #~ msgstr "&MongoChem" #~ msgid "Mongo Chem Server" #~ msgstr "Mongo Chem Server" #~ msgid "Interface with Mongo Chem Server." #~ msgstr "Interfejs sa Mongo Chem serverom." #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Učitaj strukturu datoteke" #~ msgid "Server settings" #~ msgstr "Podešavanja servera" #~ msgid "&Hostname:" #~ msgstr "&Ime hosta:" #~ msgid "Port" #~ msgstr "Port" #~ msgid "Test C&onnection..." #~ msgstr "Test K&onekcije..." #~ msgid "Look in:" #~ msgstr "Pogledaj u:" #~ msgid "Navigate Back" #~ msgstr "Navigacija nazad" #~ msgid "Navigate Forward" #~ msgstr "Navigacija napred" #~ msgid "Navigate Up" #~ msgstr "Navigacija gore" #~ msgid "File name:" #~ msgstr "Ime datoteke:" #~ msgid "OK" #~ msgstr "U redu" #~ msgid "Files of type:" #~ msgstr "Datoteke tipa:" #~ msgid "Cancel" #~ msgstr "Otkaži" #~ msgid "MongoChem Config" #~ msgstr "MongoChem Konfiguracija" #~ msgid "http://localhost:8080/api/v1" #~ msgstr "http://localhost:8080/api/v1" #~ msgid "API Key:" #~ msgstr "API Ključ:" #~ msgid "Base URL:" #~ msgstr "Osnovni URL:" #~ msgid "Config" #~ msgstr "Konfiguracija" #~ msgid "Upload" #~ msgstr "Otpremiti" #~ msgid "Docker" #~ msgstr "Docker" #~ msgid "Singularity" #~ msgstr "Jedinstvenost" #~ msgid "Container:" #~ msgstr "Kontejner:" #~ msgid "Image:" #~ msgstr "Slika:" #~ msgid "openchemistry/psi4:latest" #~ msgstr "openchemistry/psi4:latest" #~ msgid "" #~ "\n" #~ "\n" #~ "

      {

      \n" #~ "

      \"theory\": \"dft\",

      \n" #~ "

      \"functional\": \"b3lyp\",

      \n" #~ "

      \"basis\": \"6-31g\",

      \n" #~ "

      \"task\": \"energy\"

      \n" #~ "

      }

      " #~ msgstr "" #~ "\n" #~ "\n" #~ "

      {

      \n" #~ "

      \"teorija\": \"dft\",

      \n" #~ "

      \"funkncionalno\": \"b3lyp\",

      \n" #~ "

      \"osnovno\": \"6-31g\",

      \n" #~ "

      \"zadatak\": \"energija\"

      \n" #~ "

      }

      " #~ msgid "Input Parameters:" #~ msgstr "Ulazni parametri:" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Naziv elementa." #~ msgid "'c' coordinate." #~ msgstr "'c' koordinata." #~ msgid "All files (*);;" #~ msgstr "Sve datoteke (*);;" #~ msgid "Error: could not find yaehmop executable!" #~ msgstr "Greška: nije moguće pronaći izvršnu datoteku yaehmop-a!" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Ромбоедарска" #, fuzzy #~ msgid "Layer" #~ msgstr "Plejer" #, fuzzy #~| msgid "Insert Molecule..." #~ msgid "Insert Molecule..." #~ msgstr "Umetni molekul ..." #, fuzzy #~| msgid "Generating 3D molecule..." #~ msgid "Generating 3D molecule..." #~ msgstr "Generiše se 3D molekul ..." #, qt-format #~ msgid "%1: File exists and is not writable." #~ msgstr "%1: Datoteka postoji i nije za pisanje." #, fuzzy #~ msgid "Simple display of Cartoons family." #~ msgstr "Jednostavan prikaz VdW sfera." #~ msgid "Error interpreting obabel CML output." #~ msgstr "Greška pri tumačenju obabel CML izlaza." #~ msgid "Error generating CML data." #~ msgstr "Greška pri generisanju CML podataka." #, fuzzy #~ msgid "Run APBS..." #~ msgstr "Pokrenite APBS" #, fuzzy #~ msgid "Open Output File..." #~ msgstr "Otvorite izlaznu datoteku" #~ msgid "Edit Unit Cell..." #~ msgstr "Izmeni ćeliju jedinice ..." #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&ГАМЕСС-УК..." #~ msgid "&Import From PQR" #~ msgstr "&Uvezi iz PQR -a" #~ msgid "Fragment..." #~ msgstr "Odlomak..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "Кристал..." #, fuzzy #~ msgid "Write" #~ msgstr "piši" #~ msgid "SMILES..." #~ msgstr "SMILES..." #~ msgid "InChI..." #~ msgstr "InChI..." #~ msgid "Add Hydrogens for pH..." #~ msgstr "Dodaj vodonike za pH..." #~ msgid "Atom Properties..." #~ msgstr "Својства атома..." #~ msgid "Bond Properties..." #~ msgstr "Својства везе..." #~ msgid "Angle Properties..." #~ msgstr "Својства угла..." #~ msgid "Torsion Properties..." #~ msgstr "Својства увијања..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Својства молекула..." #~ msgid "Create Surfaces..." #~ msgstr "Napravi Površine..." #~ msgid "Symmetry..." #~ msgstr "Simetričnost..." #~ msgid "&Exit" #~ msgstr "&Izlaz" #~ msgid "Ctrl+E" #~ msgstr "Ctrl+E" #~ msgid "Insert Fragment..." #~ msgstr "Umetni odlomak..." #~ msgid "Option '%1' not found in userOptions." #~ msgstr "Opcija „%1“ nije pronađena u userOptions." #~ msgid "" #~ "'userOptions' missing, or not an object:\n" #~ "%1" #~ msgstr "" #~ "'userOptions' nedostaje ili nije objekt:\n" #~ "%1" #~ msgid "Theory:" #~ msgstr "Teorija:" #~ msgid "Default value missing for option '%1'." #~ msgstr "Podrazumevana vrednost nedostaje za opciju „%1“." #~ msgid "Distance: %L1 Å" #~ msgstr "Rastojanje: %L1 Å" #~ msgid "&LAMMPS Input" #~ msgstr "&LAMMPS Ulaz" #~ msgid "Reset to Default Values" #~ msgstr "Vrati na podrazumevane vrednosti" #~ msgid "Write files to disk..." #~ msgstr "Zapišite datoteke na disk ..." #~ msgid "Rotatable" #~ msgstr "Заокретљив" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Саобразник %1\n" #~ "Дужина %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Саобразник %1\n" #~ "Угао %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Угао %1" #~ msgid "Angle" #~ msgstr "Угао" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Саобразник %1\n" #~ "Увијање %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Увијање %1" #~ msgid "Torsion" #~ msgstr "Увијање" #~ msgid "Energy (kJ/mol)" #~ msgstr "Енергија (kJ/mol)" #~ msgid "Yes" #~ msgstr "Да" #~ msgid "No" #~ msgstr "Не" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Улазни генератор..." #, fuzzy #~ msgid "Import" #~ msgstr "Увези" #~ msgid "Insert SMILES" #~ msgstr "Уметни ПЛУМУС" #~ msgid "Insert SMILES fragment:" #~ msgstr "Уметни ПЛУМУС одломак:" #~ msgid "Insert Crystal" #~ msgstr "Уметни кристал" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Уметните одломке молекула да изградите веће молекуле" #~ msgid "E&xtensions" #~ msgstr "П&роширења" #~ msgid "Symmetry Properties..." #~ msgstr "Својства симетрије..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Прилагоди геометрију" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Оптимизација геометрије" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Додај водонике" #, fuzzy #~ msgid "Stopped" #~ msgstr "Заустави" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Површине" #~ msgid "Color by Index" #~ msgstr "Обој према попису" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Обојте према попису (црвена, наранџаста, жута, зелена, плава, љубичаста)." #~ msgid "Color by Partial Charge" #~ msgstr "Обој према делимичном наелектрисању" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Обојте према атомском делимичном наелектрисању (плава = позитивно, црвена " #~ "= негативно)." #~ msgid "Custom Color:" #~ msgstr "Произвољна боја:" #~ msgid "Set custom colors for objects" #~ msgstr "Подесите произвољне боје за објекте" #~ msgid "Color by Distance" #~ msgstr "Обој према растојању" #~ msgid "Color by distance from the first atom." #~ msgstr "Обојте према растојању од првог атома." #~ msgid "Color by Element" #~ msgstr "Обој према елементу" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Обојте према елементу (угљеник = сива, кисеоник = црвена, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Обојте према остатку (врсти амино киселине, хидрофобности, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "Шаблон ПАМЕТНИХ:" #~ msgid "Highlight Color:" #~ msgstr "Боја истицања:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Обојте према шаблону ПАМЕТНИХ" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Истакните нарочите функције које одговарају шаблону ПАМЕТНИХ." #~ msgid "Ununtrium" #~ msgstr "Унунтријум" #~ msgid "Ununpentium" #~ msgstr "Унунпентијум" #~ msgid "Ununseptium" #~ msgstr "Унунсептијум" #~ msgid "Ununoctium" #~ msgstr "Унуноктијум" #~ msgid "Engines" #~ msgstr "Погони" #~ msgid "Axes" #~ msgstr "Осе" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Исцртајте x, y, и z осе на почетку" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Исцртајте примитивне користећи куглице (атоми) и штапиће (везе)" #~ msgid "Dipole" #~ msgstr "Дипол" #~ msgid "Hydrogen Bond" #~ msgstr "Хидроксилна веза" #~ msgid "Renders hydrogen bonds" #~ msgstr "Исцртајте хидроксилне везе" #~ msgid "Select Atom Labels Color" #~ msgstr "Изабери боју натписа атома" #~ msgid "Select Bond Labels Color" #~ msgstr "Изабери боју натписа везе" #~ msgid "Select Bond Labels Font" #~ msgstr "Изабери слова натписа везе" #~ msgid "Polygon" #~ msgstr "Полигон" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Исцртајте атоме као тетраедре, октаедре, и друге полигоне" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Исцртајте кичме протеина као траке" #~ msgid "Ring" #~ msgstr "Прстен" #~ msgid "Renders rings with colored planes" #~ msgstr "Исцртајте прстенове са обојеним равнима" #~ msgid "Simple Wireframe" #~ msgstr "Једноставан жичани оквир" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Исцртајте везе као жице (линије), идеално за велике молекуле" #~ msgid "Van der Waals Spheres" #~ msgstr "Ван дер Валсове сфере" #~ msgid "Stick" #~ msgstr "Штапић" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Густина електрона, исоповрш = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, исоповрш = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Исцртајте везе као жице (линије), идеално за врло велике (био)молекуле" #~ msgid "Trajectory files" #~ msgstr "Датотеке трајекторије" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Датотеке ДЛ-ПОЛИ ИСТОРИЈАТА" #~ msgid "Open Trajectory File" #~ msgstr "Отвори датотеку трајекторије" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Додајем „.avi“ проширење" #~ msgid "Animation..." #~ msgstr "Анимација..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Не могу да прочитам облик датотеке за датотеку %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Нисам успео да прочитам датотеку трајекторије %1." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Морате да наведете исправан назив „.avi“ датотеке" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "ГЛ елемент није исправно покренут да би се сачувао снимак" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Неисправан назив датотеке снимка. Морате да наведете читаву путању " #~ "директоријума" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Неисправан назив датотеке снимка. Морате да наведете читаву путању " #~ "директоријума и назив, који се завршава на „.avi“" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Не могу да утврдим облик из назива датотеке: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Дочарајте трајекторије, реакције, и вибрације." #~ msgid "Cartesian Editor" #~ msgstr "Декартов уређивач" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Није одређена јединична ћелија за молекул —— не могу да користим " #~ "децималне координате." #~ msgid "Cartesian Editor..." #~ msgstr "Декартов уређивач..." #~ msgid "Cartesian editor" #~ msgstr "Декартов уређивач" #~ msgid "Number of atoms: %1" #~ msgstr "Број атома: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Број заокретљивих веза: %1" #~ msgid "Add constraint" #~ msgstr "Додај ограничење" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Ваш молекул мора да садржи најмање један атом да бисте додали ограничење" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Ваш молекул мора да садржи најмање два атома да бисте додали ограничење " #~ "везе" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Ваш молекул мора да садржи најмање три атома да бисте додали ограничење " #~ "угла" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Ваш молекул мора да садржи најмање четири атома да бисте додали " #~ "ограничење увртања" #~ msgid "&Crystallography" #~ msgstr "&Кристалографија" #~ msgid "&Reduce" #~ msgstr "&Умањи" #~ msgid "&Length Unit" #~ msgstr "Јединица &дужине" #~ msgid "&Angle Unit" #~ msgstr "Јединица &угла" #~ msgid "&Coordinate Display" #~ msgstr "Приказ &координата" #~ msgid "Coordinate &Preservation" #~ msgstr "&Очување координата" #~ msgid "&Matrix Display" #~ msgstr "Приказ &матрице" #~ msgid "Hide &Editors" #~ msgstr "Сакриј &уређиваче" #~ msgid "Show &Editors" #~ msgstr "Прикажи &уређиваче" #~ msgid "Hide &Property Display" #~ msgstr "Сакриј приказ &особина" #~ msgid "Show &Property Display" #~ msgstr "Прикажи приказ &особина" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Врста решетке: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Просторна група: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Запремина јединичне ћелије: %L1%2" #~ msgid "Undefined" #~ msgstr "Неодређено" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Триклинична" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Моноклинична" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Орторомбна" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Тетрагонална" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Хексагонална" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Кубична" #~ msgid "Paste Crystal" #~ msgstr "Убаци кристал" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Ниглијево умањење није успело. Решетка улазне структуре је та која " #~ "збуњује алгоритам Ниглијевог умањења. Покушајте да створите мале сметње " #~ "(приближно 2 реда магнитуде мање од толеранције) на улазним решеткама и " #~ "покушајте поново." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Нисам успео да умањим ћелију након 1000 понављања алгоритма умањивања. " #~ "Заустављам." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Заокрени на уобичајено &усмерење" #~ msgid "&Slab..." #~ msgstr "&Табла..." #~ msgid "Perceive Space&group..." #~ msgstr "Спознај просторну &групу..." #~ msgid "Set &Spacegroup..." #~ msgstr "Подеси просторну &групу..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Испуни јединичну ћелију" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Испуните јединичну ћелију користећи текућу просторну групу." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Умањи на &асиметричну јединицу" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "" #~ "Уклоните атоме на подударним положајима (супротно испуњавању јединичне " #~ "ћелије)." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "Симетриши &кристал" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Умањи ћелију (&Примитива)" #~ msgid "&Bohr" #~ msgstr "&Бор" #~ msgid "&Nanometer" #~ msgstr "&Нанометар" #~ msgid "&Picometer" #~ msgstr "&Пикометар" #~ msgid "&Degree" #~ msgstr "&Степен" #~ msgid "&Radian" #~ msgstr "&Радијан" #~ msgid "Display &cartesian coordinates" #~ msgstr "Прикажи &Декартове координате" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Очувај &Декартове координате за време измене ћелије" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Очувај &разломачке координате за време измене ћелије" #~ msgid "Display &cartesian matrix" #~ msgstr "Прикажи &Декартову матрицу" #~ msgid "Display &fractional matrix" #~ msgstr "Прикажи &разломачку матрицу" #~ msgid "Display as &row vectors" #~ msgstr "Прикажи као векторе &реда" #~ msgid "Display as &column vectors" #~ msgstr "Прикажи као векторе &колоне" #~ msgid "&Crystal View Options..." #~ msgstr "Опције прегледа &кристала..." #~ msgid "" #~ "

      Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

      Cell can be symmetrized into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

      " #~ msgstr "" #~ "

      Спознана просторна група %1, Халов симбол %2, Херман-Могенов симбол %3." #~ "

      Ћелија се може симетризовати према уобичајеном подешавању, да ли " #~ "желите то да урадите? Радње које користе симетрију (нпр. градитељ супер " #~ "ћелије) то захтевају." #~ msgid "Set Spacegroup" #~ msgstr "Подеси просторну групу" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Не постоји подешена просторна група за овај документ.\n" #~ "\n" #~ "Да ли желите сада да подесите просторну групу?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Откривена је просторна група П1 —— не могу да симетризујем на ту " #~ "просторну групу.\n" #~ "\n" #~ "Да ли желите да покушате са другачијом толеранцијом?" #~ msgid "Symmetrize Crystal" #~ msgstr "Симетриши кристал" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Преломи атоме на ћелију" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Умањи на Ниглијеву ћелију" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "Изабери толеранцију у текућим Декартовим јединицама:" #~ msgid "Crystallography" #~ msgstr "Кристалографија" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Изграђујте и анализирајте периодичне структуре." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "Улаз није обликован као један\n" #~ "од следећих подржаних записа:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "ВАСП запис\n" #~ msgid "Bad Compostion" #~ msgstr "Лош састав" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "Поље идентитета мора да садржи исти број размаком разграничених уноса као " #~ "6. ред ПОСЦАР-а." #~ msgid "Cartesian Coordinates" #~ msgstr "Декартов координатни систем" #~ msgid "Fractional Coordinates" #~ msgstr "Разломачке координате" #~ msgid "Set Fractional Coordinates" #~ msgstr "Подеси разломачке координате" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Матрица ћелије (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Подеси матрицу јединичне ћелије" #~ msgid "Set Unit Cell Params" #~ msgstr "Подеси параметре јединичне ћелије" #~ msgid "Working..." #~ msgstr "Радим..." #~ msgid "Build" #~ msgstr "Изгради" #~ msgid "Cut Slab From Crystal" #~ msgstr "Одсеци таблу из кристала" #~ msgid "No GLWidget?" #~ msgstr "Нема ГЛ елемента?" #~ msgid "Please select one or more atoms." #~ msgstr "Изаберите један или више атома." #~ msgid "Trajectory..." #~ msgstr "Трајекторија..." #~ msgid "Open chemical file format" #~ msgstr "Отвори запис хемијске датотеке" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Хемијске датотеке (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Отвори датотеку параметра" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Хемијске датотеке (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Увези трајекторију" #~ msgid "Import trajectory files" #~ msgstr "Увезите датотеке трајекторије" #~ msgid "Calculate Energy" #~ msgstr "Израчунај енергију" #~ msgid "Conformer Search..." #~ msgstr "Претрага саобразника..." #~ msgid "Constraints..." #~ msgstr "Ограничења..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Не могу да подесим тренутно изабрано поље силе за овај молекул. " #~ "Пребацујем на УФФ." #~ msgid "Geometric Optimization" #~ msgstr "Оптимизација геометрије" #~ msgid "Systematic Rotor Search" #~ msgstr "Организована претрага ротора" #~ msgid "Random Rotor Search" #~ msgstr "Насумична претрага ротора" #~ msgid "Weighted Rotor Search" #~ msgstr "Тежинска претрага ротора" #~ msgid "Genetic Algorithm Search" #~ msgstr "Претрага генетског алгоритма" #~ msgid "ForceField" #~ msgstr "Поље силе" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Оптимизујте молекуле и створите саобразнике користећи поље механичке " #~ "снаге молекула" #~ msgid "&Vector Graphics..." #~ msgstr "&Векторска графика..." #~ msgid "Common vector image formats" #~ msgstr "Општи записи векторске слике" #~ msgid "EPS" #~ msgstr "ЕПС" #~ msgid "Vector graphics export" #~ msgstr "Извоз векторске графике" #~ msgid "Change H to Methyl" #~ msgstr "Измени Н у метил" #~ msgid "H to Methyl" #~ msgstr "Н у метил" #~ msgid "H2Methyl" #~ msgstr "Н2Метил" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Претворите водонике у метилне групе" #~ msgid "Add or remove hydrogens" #~ msgstr "Додајте или уклоните водонике" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Уметни ДНА/РНА ланце" #~ msgid "Peptide..." #~ msgstr "Пептид..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Уметни олигопептидни низ" #~ msgid "Invert Chirality" #~ msgstr "Преокрени хиралност" #~ msgid "InvertChiral" #~ msgstr "Преокрени хирал" #~ msgid "Invert chiral centers" #~ msgstr "Преокрени хирална средишта" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "непознато" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Процењени момент дипола (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Прикажите уобичајена својства молекула." #~ msgid "Fetch by chemical name..." #~ msgstr "Довуците према хемијском називу..." #~ msgid "Fetch from URL..." #~ msgstr "Довуци са адресе..." #~ msgid "PDB Entry" #~ msgstr "Унос ПДБ-а" #~ msgid "PDB entry to download." #~ msgstr "Унос ПДБ-а за преузимање." #~ msgid "URL" #~ msgstr "Адреса" #~ msgid "URL of molecule to download." #~ msgstr "Адреса молекула за преузимање." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Не могу да учитам наведени молекул: %1" #~ msgid "Network Fetch" #~ msgstr "Довлачење са мреже" #~ msgid "Fetch molecule files over the network." #~ msgstr "Довуците датотеке молекула са мреже." #~ msgid "OrcaExtension Warning" #~ msgstr "Упозорење проширења Орке" #~ msgid "OrcaExtension" #~ msgstr "Проширење Орке" #~ msgid " No vibration data found!" #~ msgstr " Нисам нашао податке вибрације!" #~ msgid " No vibration data found or molecule changed outside Orca Plugin!" #~ msgstr "" #~ " Нисам нашао податке вибрације или је молекул измењен ван прикључка Орке!" #~ msgid "Selected displacement data don't fit to the actual molecule!" #~ msgstr "Изабрани подаци размештаја не одговарају стварном молекулу!" #~ msgid "extended Geometry File" #~ msgstr "Датотека проширене геометрије" #~ msgid "Read Orca Outputfile" #~ msgstr "Читај излазну датотеку Орке" #~ msgid "no file found" #~ msgstr "нисам нашао датотеку" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Нешто није у реду у структури датотеке" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "Нешто није у реду у структури датотеке — јединичне ћелије" #~ msgid "Something is wrong in the IR output! " #~ msgstr "Нешто није у реду у ИР излазу! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "Нешто није у реду у излазу рамана! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "Нешто није у реду у излазу енергије орбите! " #~ msgid "No geometry found in file!" #~ msgstr "Нисам нашао геометрију у датотеци!" #~ msgid "" #~ "Molecule of the file does not fit the actual molecule structure! \n" #~ " Would you like to override the actual molecule?" #~ msgstr "" #~ "Молекул датотеке не одговара структури стварног молекула! \n" #~ " Да ли желите да препишете стварни молекул?" #~ msgid "Could not read file!" #~ msgstr "Не могу да прочитам датотеку!" #~ msgid "Analyse Orca Output..." #~ msgstr "Анализирај излаз Орке..." #~ msgid "&Orca" #~ msgstr "&Орка" #~ msgid "Orca Test Example" #~ msgstr "Пример теста Орке" #~ msgid "Provides a dialog box with the words \"H...\"." #~ msgstr "Обезбеђује поље за унос текста са речима „H...“." #~ msgid "ORCA Input Deck" #~ msgstr "Улазна плоча Орке" #~ msgid "Show Preview" #~ msgstr "Прикажи преглед" #~ msgid "Hide Preview" #~ msgstr "Сакриј преглед" #~ msgid "RijCosX option not available for the selected DFT functional!" #~ msgstr "Опција „RijCosX“ није доступна за изабрани ДФТ функционал!" #~ msgid "" #~ "RijCosX not available for the selected DFT functional! \n" #~ "RijCosX option reset!" #~ msgstr "" #~ "„RijCosX“ није доступно за изабрани ДФТ функционал! \n" #~ "Повраћај опције „RijCosX“!" #~ msgid "" #~ "Unsaved changes are made in the actual preview text! \n" #~ " Generating a new preview will lose all changes! \n" #~ " Would you like to override them anyway?" #~ msgstr "" #~ "Несачуване измене су начињене у тексту стварног прегледа! \n" #~ " Стварање новог прегледа ће поништити измене! \n" #~ " Да ли ипак желите да их препишете?" #~ msgid "Intensities" #~ msgstr "Јакост" #~ msgid " OrcaSpectra::No vibration data found!" #~ msgstr " СпектарОрке::Нисам нашао податке вибрације!" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Сачувајте слику исцртану ПОВ-Рејом" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Датотеке слика (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "ПОВ-Реј..." #~ msgid "No valid filename was supplied." #~ msgstr "Није достављен исправан назив датотеке." #~ msgid "Does not compute." #~ msgstr "Не рачунам." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Затражили сте без непосредног исцртавања користећи ПОВ-Реј и без " #~ "задржавања ПОВ-Реј датотеке. Овиме неће бити сачуван ниједан излаз. Да ли " #~ "сте сигурни да је то оно што желите?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Не могу да упишем у датотеку „%1“. Да ли имате овлашћења да уписујете на " #~ "том месту?" #~ msgid "POV-Ray failed to start." #~ msgstr "ПОВ-Реј није успео да се покрене." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "ПОВ-Реј није успео да се покрене. Можда путања до извршног није исправно " #~ "подешена." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Направите ПОВ-Реј датотеке и исцртајте их користећи ПОВ-Реј програм " #~ "линије наредби." #~ msgid "Conformer Properties..." #~ msgstr "Својства саобразника..." #~ msgid "Python Terminal" #~ msgstr "Питонов терминал" #~ msgid "pythonTerminalDock" #~ msgstr "Пристаниште Питоновог терминала" #~ msgid "Interactive python scripting terminal" #~ msgstr "Међудејствени питонов терминал за скрипте" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Упозорење ствараоца улазне плоче Абинита" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Да ли желите да ажурирате текст прегледа, тако што ћете изгубити све " #~ "измене учињене у окну прегледа улазне плоче Абинита?" #~ msgid "Abinit_Input_Deck" #~ msgstr "Улазна_плоча_Абинита" #~ msgid "Abinit Running." #~ msgstr "Абинит је покренут." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Абинит је већ покренут. Молим сачекајте док се не обаве претходни " #~ "прорачуни." #~ msgid "Abinit Not Installed." #~ msgstr "Абинит није инсталиран." #~ msgid "The abinit executable cannot be found." #~ msgstr "Не могу да пронађем абинитов извршни." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "Псеудоними (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *." #~ "psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "абинит се није покренуо. Можда није инсталиран исправно." #~ msgid "Running Abinit calculation..." #~ msgstr "Извршавам Абинитове прорачуне..." #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Абинит није радио исправно. Можда није инсталиран исправно." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Упозорење Далтоновог ствараоца улазне датотеке" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Да ли желите да ажурирате текст прегледа, тако што ћете изгубити све " #~ "измене учињене у окну прегледа Далтонове улазне датотеке?" #~ msgid "QM Matches" #~ msgstr "КуМ поклапања" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "ЕФП избор..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "КуМ избор..." #~ msgid "Delete" #~ msgstr "Обриши" #~ msgid "You must make a selection!" #~ msgstr "Морате да направите избор!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Није доступно ПЛУМУС претварање" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Није доступно претварање ПЛУМУС записа!" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "ГАМЕСС" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Направите улазне датотеке за квантне хемијске пакете ГАМЕСС-а" #~ msgid "Advanced Settings Changed" #~ msgstr "Напредна подешавања су измењена" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Измењена су напредна подешавања.\n" #~ "Да одбацим измене?" #~ msgid "Advanced Settings Reset" #~ msgstr "Напредна подешавања су враћена" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Да ли сте сигурни да желите да вратите напредна подешавања?\n" #~ "Све измене ће бити изгубљене!" #~ msgid "Basic Settings Reset" #~ msgstr "Основна подешавања су враћена" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Да ли сте сигурни да желите да вратите основна подешавања?\n" #~ "Све измене ће бити изгубљене!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Упозорење ствараоца улазне плоче Гамеса-УК" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Да ли желите да ажурирате текст прегледа, тако што ћете изгубити све " #~ "измене учињене у окну прегледа улазне плоче Гамеса-УК?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Улазна плоча Гамеса-УК" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Упозорење ствараоца улазне плоче Гауска" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Да ли желите да ажурирате текст прегледа, тако што ћете изгубити све " #~ "измене учињене у окну прегледа улазне плоче Гауска?" #~ msgid "Gaussian Input Deck" #~ msgstr "Улазна плоча Гауска" #~ msgid "Gaussian Running." #~ msgstr "Гауско је покренут." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Гауско је већ покренут. Молим сачекајте док се не обаве претходни " #~ "прорачуни." #~ msgid "Gaussian Not Installed." #~ msgstr "Гауско није инсталиран." #~ msgid "The G03 executable, cannot be found." #~ msgstr "Не могу да пронађем Г03 извршни." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "Г03 се није покренуо. Можда није инсталиран исправно." #~ msgid "Running Gaussian calculation..." #~ msgstr "Извршавам Гаускове прорачуне..." #~ msgid "G03 Crashed." #~ msgstr "Г03 се урушио." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Гауско није радио исправно. Можда није инсталиран исправно." #~ msgid "&Abinit..." #~ msgstr "&Абинит..." #~ msgid "&Dalton..." #~ msgstr "&Далтон..." #~ msgid "&Gaussian..." #~ msgstr "&Гауско..." #~ msgid "&MOLPRO..." #~ msgstr "&МОЛПРО..." #~ msgid "&NWChem..." #~ msgstr "&НВ-Хемија..." #~ msgid "&PSI4..." #~ msgstr "&ПСИ4..." #~ msgid "&Q-Chem..." #~ msgstr "&Ку-Хемија..." #~ msgid "&TeraChem..." #~ msgstr "&Тера-Хемија..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "Упозорење ствараоца улазне плоче Лампса" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Упозорење ствараоца улазне плоче Молпроа" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Да ли желите да ажурирате текст прегледа, тако што ћете изгубити све " #~ "измене учињене у окну прегледа улазне плоче Молпроа?" #~ msgid "Molpro Input Deck" #~ msgstr "Улазна плоча Молпроа" #~ msgid "MOPAC Input Warning" #~ msgstr "Упозорење улаза МОПАК-а" #~ msgid "MOPAC Input Deck" #~ msgstr "Улазна плоча МОПАК-а" #~ msgid "MOPAC Running." #~ msgstr "МОПАК је покренут." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "МОПАК је већ покренут. Молим сачекајте док се не обаве претходни " #~ "прорачуни." #~ msgid "MOPAC Not Installed." #~ msgstr "МОПАК није инсталиран." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Не могу да пронађем извршну МОПАК-а." #~ msgid "MOPAC failed to start." #~ msgstr "МОПАК није успео да се покрене." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "МОПАК се није покренуо. Можда није исправно инсталиран." #~ msgid "Running MOPAC calculation..." #~ msgstr "Извршавам МОПАК-ове прорачуне..." #~ msgid "MOPAC Crashed." #~ msgstr "МОПАК се урушио." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "МОПАК није радио исправно. Можда није инсталиран исправно." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Упозорење ствараоца улазне плоче НВ-Хемије" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Да ли желите да ажурирате текст прегледа, тако што ћете изгубити све " #~ "измене учињене у окну прегледа улазне плоче НВ-Хемије?" #~ msgid "NWChem Input Deck" #~ msgstr "Улазна плоча НВ-Хемије" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Упозорење ствараоца улазне плоче Пси-а4" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Да ли желите да ажурирате текст прегледа, тако што ћете изгубити све " #~ "измене учињене у окну прегледа улазне плоче Пси-а4?" #~ msgid "Psi4 Input Deck" #~ msgstr "Улазна плоча Пси-а4" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Упозорење ствараоца улазне плоче Ку-Хемије" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Да ли желите да ажурирате текст прегледа, тако што ћете изгубити све " #~ "измене учињене у окну прегледа улазне плоче Ку-Хемије?" #~ msgid "QChem Input Deck" #~ msgstr "Улазна плоча Ку-Хемије" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "Упозорење ствараоца улазне плоче Тера-Хемије" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Да ли желите да ажурирате текст прегледа, тако што ћете изгубити све " #~ "измене учињене у окну прегледа улазне плоче Тера-Хемије?" #~ msgid "TeraChem Input Deck" #~ msgstr "Улазна плоча Тера-Хемије" #~ msgid "Select SMARTS..." #~ msgstr "Изабери ПАМЕТНЕ..." #~ msgid "Add Named Selection..." #~ msgstr "Додај именовани избор..." #~ msgid "SMARTS Selection" #~ msgstr "Избор ПАМЕТНИХ" #~ msgid "SMARTS pattern to select" #~ msgstr "Шаблон ПАМЕТНИХ за избор" #~ msgid "There is no current selection." #~ msgstr "Тренутно нема избора." #~ msgid "Add Named Selection" #~ msgstr "Додај именовани избор" #~ msgid "Name cannot be empty." #~ msgstr "Назив не сме бити празан." #~ msgid "There is already a selection with this name." #~ msgstr "Већ постоји избор под тим називом." #~ msgid "Selections" #~ msgstr "Избори" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Изаберите атоме, везе, остатке..." #~ msgid "GLSL Shaders..." #~ msgstr "ГЛСЛ нијансери..." #~ msgid "Open a vertex shader source file" #~ msgstr "Отворите изворну датотеку нијансера врхунца" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Датотеке нијансера врхунца (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Отворите изворну датотеку нијансера одломка" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Датотеке нијансера одломка (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Отворите датотеку параметара нијансера" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Датотеке параметара нијансера (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "ГЛСЛ нијансери" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Учитајте и користите ОпенГЛ 2.0 ГЛСЛ нијансере" #~ msgid "Intensity (arb. units)" #~ msgstr "Јакост (скр. јединице)" #~ msgid "Density of States (states/cell)" #~ msgstr "Густина стања (стања/ћелија)" #~ msgid "Density of States (states/atom)" #~ msgstr "Густина стања (стања/атом)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Густина стања (стања/ковалентни електрон)" #~ msgid "Transmittance (%)" #~ msgstr "Прозрачност (%)" #~ msgid "Absorbance (%)" #~ msgstr "Упијање (%)" #~ msgid "No intensities" #~ msgstr "Нема интензитета" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Подаци о вибрацијама у молекулу који сте учитали не садрже никакве " #~ "податке о интензитету. Интензитет је постављени на произвољну вредности " #~ "за приказивање." #~ msgid "Activity" #~ msgstr "Активност" #~ msgid "X Axis" #~ msgstr "X оса" #~ msgid "Y Axis" #~ msgstr "Y оса" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Подешавања спектра &инфрацрвеног" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "НМР" #~ msgid "&NMR Spectra Settings" #~ msgstr "Подешавања спектра &НМР-а" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "ГС" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "UV" #~ msgid "&UV Settings" #~ msgstr "Подешавања &ултраљубичастог" #~ msgid "&CD Settings" #~ msgstr "&ЦД подешавања" #~ msgid "&Raman Settings" #~ msgstr "Подешавања &Рамана" #~ msgid "No data" #~ msgstr "Нема података" #~ msgid "Dark" #~ msgstr "Тамно" #~ msgid "Publication" #~ msgstr "Издавање" #~ msgid "Handdrawn" #~ msgstr "Руком цртано" #~ msgid "New Scheme" #~ msgstr "Нова шема" #~ msgid "Confirm Scheme Removal" #~ msgstr "Потврди уклањање шеме" #~ msgid "Really remove current scheme?" #~ msgstr "Стварно да уклоним текућу шему?" #~ msgid "Change Scheme Name" #~ msgstr "Измени назив шеме" #~ msgid "Enter new name for current scheme:" #~ msgstr "Унесите нови назив за текућу шему:" #~ msgid "Export Calculated Spectrum" #~ msgstr "Извези прорачунати спектар" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Вредности одвојене табулатором (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Вредности одвојене табулатором" #~ msgid "Comma Separated Values" #~ msgstr "Вредности раздвојене зарезом" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Увоз спектра" #~ msgid "Unknown extension: %1" #~ msgstr "Непознато проширење: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR подаци (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Турбомол IR подаци (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Турбомол UV подаци (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Турбомол CD подаци (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Облик података" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Запис:" #~ msgid "Load Spectral Data" #~ msgstr "Учитај податке спектра" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "ЦД датотека турбомола је неправилно оформљена : %1" #~ msgid "Portable Network Graphics" #~ msgstr "Преносна мрежна графика" #~ msgid "jpeg" #~ msgstr "јпег" #~ msgid "Tagged Image File Format" #~ msgstr "Запис датотеке означене слике (TIFF)" #~ msgid "Windows Bitmap" #~ msgstr "Виндоуз битмап (BMP)" #~ msgid "Portable Pixmap" #~ msgstr "Преносна пиксмапа" #~ msgid "X11 Bitmap" #~ msgstr "X11 битмапа" #~ msgid "X11 Pixmap" #~ msgstr "X11 пиксмапа" #~ msgid "Save Spectra Image" #~ msgstr "Сачувај слику спектра" #~ msgid "Image successfully written to %1" #~ msgstr "Слика је успешно записана на „%1“" #~ msgid "&Advanced <<" #~ msgstr "&Напредно <<" #~ msgid "&Advanced >>" #~ msgstr "&Напредно >>" #~ msgid "&Spectra..." #~ msgstr "&Спектар..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Прикажите податке спектра из квантних хемијских прорачуна" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Вибрациона анализа" #~ msgid "No vibrational displacements exist." #~ msgstr "Не постоји вибрационо размештање." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Прикажите вибрационе режиме из квантних хемијских прорачуна" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Ређам %1 вибрације према учесталости..." #~ msgid "Pause" #~ msgstr "Паузирај" #~ msgid "Super Cell Builder..." #~ msgstr "Градилац супер ћелије..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "Овај документ је тренутно један усамљени молекул. Треба да направите " #~ "јединичну ћелију." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Изградите и прикажите кристалографску супер ћелију" #~ msgid "Molecular Orbitals..." #~ msgstr "Молекуларне орбите..." #~ msgid "Orbitals" #~ msgstr "Орбите" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Ништа" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Ван дер Валс" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Густина електрона" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Грешка — неодређена врста" #~ msgid "Calculating VdW Cube" #~ msgstr "Израчунавам ВдВ коцку" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Израчунавам МО %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "Површине електростатичког потенцијала још увек нису подржане." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Израчунајте молекуларне орбите и друге површине" #~ msgid "&Nanotube Builder..." #~ msgstr "Изграђивач &нано цеви..." #~ msgid "Nanotube Builder" #~ msgstr "Изграђивач нано цеви" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Неисправна одредница нано цеви" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "Затражена нано цев не може бити изграђена из следећих разлога:\n" #~ "\n" #~ "Или „n“ или „m“ мора бити веће од 1." #~ msgid "Insert Nanotube" #~ msgstr "Уметни нано цев" #~ msgid "SWCNT Builder" #~ msgstr "СВЦНТ градилац" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Изградите угљеничне нано цеви једног зида." #~ msgid "Building..." #~ msgstr "Изграђујем..." #~ msgid "Display point group symmetry." #~ msgstr "Прикажите тачку симетрије групе." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "ГЛ елемент није исправно покренут да би се направио снимак" #~ msgid "GL widget has no molecule" #~ msgstr "ГЛ елемент нема ниједан молекул" #~ msgid "Building video " #~ msgstr "Изграђујем снимак " #~ msgid "Could not run mencoder." #~ msgstr "Не могу да покренем менкодер." #~ msgid "Set Aspect Ratio" #~ msgstr "Подеси однос размере" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Текућа Авогадрова сцена је величине %1x%2 тачкица, а однос размере је " #~ "%3.\n" #~ "Можете да задржите ову вредност, на пример ако намеравате да користите " #~ "ПОВ-Реј\n" #~ "да направите слику величине %4x1000 тачкица, или можете да унесете било " #~ "коју позитивну вредност,\n" #~ "на пример 1 ако намеравате да користите ПОВ-Реј да направите квадратну " #~ "слику, као што је 1000x1000 тачкица." #~ msgid "Connect" #~ msgstr "Повежи се" #~ msgid "Disconnect" #~ msgstr "Прекини везу" #~ msgid "&WiiTrack" #~ msgstr "Прати &Вии-јем" #~ msgid "Wii Tracking" #~ msgstr "Вии праћење" #~ msgid "Track motion using Wii remotes" #~ msgstr "Пратите покрете користећи даљинске Вии-ја" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Неисправан садржај ОпенГЛ-а.\n" #~ "Или је нешто потпуно оштећено у вашим подешавањима ОпенГЛ-а (да ли можете " #~ "да покренете неки од ОпенГЛ програма?), или сте нашли грешку." #~ msgid "Debug Information" #~ msgstr "Подаци за уклањање грешака" #~ msgid "FPS: %L1" #~ msgstr "К/С: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Величина приказа: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "Ред прегледа модела 1: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "Ред прегледа модела 2: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "Ред прегледа модела 3: %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "Ред прегледа модела 4: %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Атоми: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "ОБ мол: попис %1 је изван домета." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Врста датотеке „%1“ није подржана за читање." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Врста датотеке за датотеку „%1“ није подржана за читање." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Нисам успео да прочитам молекул %1 из датотеке „%2“." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "замени молекул: попис %1 је изван домета." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Врста датотеке „%1“ није подржана за читање." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Врста датотеке за датотеку „%1“ није подржана за читање." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Не могу да отворим датотеку „%1“ за читање." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Нисам успео да заменим молекул %1 из датотеке „%2“." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Датотека „%1“ не може бити отворена за читање." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Датотека „%1“ не може бити отворена за писање." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Нисам успео да сачувам датотеку молекула — не могу да преименујем изворну " #~ "датотеку." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Нисам успео да сачувам датотеку молекула — не могу да преименујем нову " #~ "датотеку." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Нисам успео да сачувам датотеку молекула — не могу да уклоним стару " #~ "датотеку." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Нисам успео да запишем молекул у датотеку „%1“. Није успела функција Опен " #~ "Бабела." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Датотека „%1“ не може бити отворена за писање." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Нисам успео да запишем саобразнике у датотеку „%1“." #~ msgid "Molecule %1" #~ msgstr "Молекул %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "ОЈЛ2+" #~ msgid "Unknown Python Engine" #~ msgstr "Непознат Питонов погон" #~ msgid "N/A" #~ msgstr "Недоступно" #~ msgid "PythonEngine: checking " #~ msgstr "Питонов погон: проверавам " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " — скрипта нема одређен разред „Погон“" #~ msgid " - no module" #~ msgstr " — нема модула" #~ msgid "Unknown Python Extension" #~ msgstr "Непознато Питоново проширење" #~ msgid "PythonExtension: checking " #~ msgstr "Питоново проширење: проверавам " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " — скрипта нема одређен разред „Проширење“" #~ msgid "Unknown Python Tool" #~ msgstr "Непознат Питонов алат" #~ msgid "PythonTool: checking " #~ msgstr "Питонов алат: проверавам " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " — скрипта нема одређен разред „Алат“" #~ msgid "Conformer %1" #~ msgstr "Саобразник %1" #~ msgid "Tools" #~ msgstr "Алати" #~ msgid "Align:" #~ msgstr "Поравнај:" #~ msgid "Everything" #~ msgstr "Све" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Алат самосталне оптимизације\n" #~ "\n" #~ "Функције кретања приликом клика на празан простор.\n" #~ "Лево дугме миша: \tЗаокрените простор\n" #~ "Средње дугме миша: Увећајте простор\n" #~ "Десно дугме миша: \tПомерите простор\n" #~ "Двоструки клик: \tВратите преглед\n" #~ "\n" #~ "Приликом рада:\n" #~ "Лево дугме миша: \tКликните и ухватите атоме да их померите." #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "Самооптимизација: Не могу да подесим поље силе..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "Самооптимизација: Е = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Број ограничења: %1" #~ msgid "Steps per Update:" #~ msgstr "Корака по ажурирању:" #~ msgid "Algorithm:" #~ msgstr "Алгоритам:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Молекуларна динамика (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Молекуларна динамика (900K)" #~ msgid "Start" #~ msgstr "Покрени" #~ msgid "Fixed atoms are movable" #~ msgstr "Учвршћени атоми се могу померати" #~ msgid "Ignored atoms are movable" #~ msgstr "Занемарени атоми се могу померати" #~ msgid "AutoOpt Molecule" #~ msgstr "Молекул самосталне оптимизације" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Самостална оптимизација молекуларне геометрије" #~ msgid "AutoOptimization Settings" #~ msgstr "Подешавања самосталне оптимизације" #~ msgid "Auto Rotation Tool" #~ msgstr "Алат самосталног обртања" #~ msgid "x rotation:" #~ msgstr "х заокретање:" #~ msgid "x rotation" #~ msgstr "х заокретање" #~ msgid "y rotation:" #~ msgstr "у заокретање:" #~ msgid "y rotation" #~ msgstr "у заокретање" #~ msgid "z rotation:" #~ msgstr "z заокретање:" #~ msgid "z rotation" #~ msgstr "z заокретање" #~ msgid "Automatic rotation of molecules" #~ msgstr "Самостално заокретање молекула" #~ msgid "AutoRotate Settings" #~ msgstr "Подешавања самосталног заокретања" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Дужина везе: %L1" #~ msgid " Show Angles" #~ msgstr " Прикажи углове" #~ msgid "Snap-to Threshold: " #~ msgstr "Приони на праг: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Управљање средишњом везом" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Управљање дужинама, угловима и увијањима везе" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Подешавање управљања средишњом везом" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Растојање (2—>3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Растојање (3—>4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Двострани угао: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Растојање:" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Измерите дужине, углове и угаоне помераје везе" #~ msgid "Draw Bond" #~ msgstr "Нацртај везу" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Нацртајте и уредите атоме и везе" #~ msgid "Draw Settings" #~ msgstr "Подешавање цртања" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Преведите, заокрените и дотерајте атоме и одломке" #~ msgid "Manipulate Settings" #~ msgstr "Подешавање управљања" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Преведите, заокрените и увећајте око текућег прегледа" #~ msgid "Navigate Settings" #~ msgstr "Подешавања кретања" #~ msgid "Selection Mode:" #~ msgstr "Режим избора:" #~ msgid "Atom/Bond" #~ msgstr "Атом/Веза" #~ msgid "Residue" #~ msgstr "Остатак" #~ msgid "Add Center of Atoms" #~ msgstr "Додај средиште атома" #~ msgid "Change color of the atom" #~ msgstr "Измените боју атома" #~ msgid "Change label of the atom" #~ msgstr "Измените натпис атома" #~ msgid "Change label of the bond" #~ msgstr "Измените натпис везе" #~ msgid "Change radius of the atom" #~ msgstr "Измените полупречник атома" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Нови полупречник, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Изаберите атоме, остатке и молекуле" #~ msgid "Symbol" #~ msgstr "Симбол" #~ msgid "Bond Length" #~ msgstr "Дужина везе" #~ msgid "Dihedral Angle" #~ msgstr "Двострани угао" #~ msgid "Z Matrix Editor..." #~ msgstr "Уређивач Z матрице..." #~ msgid "Z-Matrix" #~ msgstr "Z-матрица" #~ msgid "Create/edit a z-matrix" #~ msgstr "Направите/уредите z-матрицу" #~ msgid "Z-Matrix Settings" #~ msgstr "Подешавања Z-матрице" #~ msgid "Color residues by:" #~ msgstr "Обој остатке према:" #~ msgid "Hydrophobicity" #~ msgstr "Хидрофобност" #~ msgid "Axes:" #~ msgstr "Осе:" #~ msgid "Cartesian Axes" #~ msgstr "Декартове осе" #~ msgid "Orthogonal Axes" #~ msgstr "Ортогоналне осе" #~ msgid "Axis 1:" #~ msgstr "Оса 1:" #~ msgid "Axis 2:" #~ msgstr "Оса 2:" #~ msgid "Axis 3:" #~ msgstr "Оса 3:" #~ msgid "Origin:" #~ msgstr "Порекло:" #~ msgid "Norm" #~ msgstr "Стандард" #~ msgid "Preserve vector norms" #~ msgstr "Очувај стандарде вектора" #~ msgid "Atom Radius:" #~ msgstr "Полупречник атома:" #~ msgid "Bond Radius:" #~ msgstr "Полупречник везе:" #~ msgid "Shape" #~ msgstr "Облик" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Понављање" #~ msgid "Dipole:" #~ msgstr "Дипол:" #~ msgid "Custom Vector" #~ msgstr "Произвољни вектор" #~ msgid "Custom:" #~ msgstr "Произвољно:" #~ msgid "Width:" #~ msgstr "Ширина:" #~ msgid "Cut-off radius:" #~ msgstr "Полупречник прекида:" #~ msgid "Cut-off angle:" #~ msgstr "Угао прекида:" #~ msgid "Rendering Engine:" #~ msgstr "Погон исцртавања:" #~ msgid "TextRenderer" #~ msgstr "Исцртавач текста" #~ msgid "QPainter" #~ msgstr "Ку фарбар" #~ msgid "Text:" #~ msgstr "Текст:" #~ msgid "Symbol & Number in Group" #~ msgstr "Симбол и број у групи" #~ msgid "Symbol & Atom number" #~ msgstr "Симбол и атомски број" #~ msgid "Partial charge" #~ msgstr "Делимично наелектрисање" #~ msgid "Residue number" #~ msgstr "Број остатка" #~ msgid "Custom data" #~ msgstr "Произвољни подаци" #~ msgid "Change Font" #~ msgstr "Измени словни лик" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Помак натписа:" #~ msgid "Bond length" #~ msgstr "Дужина везе" #~ msgid "Bond number" #~ msgstr "Број везе" #~ msgid "Bond order" #~ msgstr "Поредак везе" #~ msgid "Lines" #~ msgstr "Линије" #~ msgid "Radius:" #~ msgstr "Полупречник:" #~ msgid "Include Nitrogens" #~ msgstr "Укључи нитрогене" #~ msgid "VdW Opacity:" #~ msgstr "ВдВ непровидност:" #~ msgid "Orbital:" #~ msgstr "Орбитално:" #~ msgid "Render:" #~ msgstr "Исцртај:" #~ msgid "Fill" #~ msgstr "Испуни" #~ msgid "Points" #~ msgstr "Тачке" #~ msgid "Draw Box:" #~ msgstr "Поље за цртање:" #~ msgid "Style:" #~ msgstr "Стил:" #~ msgid "Mapped Colors" #~ msgstr "Мапиране боје" #~ msgid "Positive" #~ msgstr "Позитивно" #~ msgid "Negative" #~ msgstr "Негативно" #~ msgid "Show Atoms" #~ msgstr "Прикажи атоме" #~ msgid "Animate Trajectory" #~ msgstr "Оживотворена трајекторија" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Понављање" #~ msgid "Save as .avi..." #~ msgstr "Сачувај као „.avi“..." #~ msgid "Angstroms" #~ msgstr "Ангстрома" #~ msgid "Bohrs" #~ msgstr "Бора" #~ msgid "Fractional" #~ msgstr "Разломачки" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, само координате" #~ msgid "GAMESS Input #2" #~ msgstr "ГАМЕСС улаз #2" #~ msgid "Priroda Input" #~ msgstr "Улаз природе" #~ msgid "Apply Changes" #~ msgstr "Примени измене" #~ msgid "Cut All" #~ msgstr "Одсеци све" #~ msgid "Paste to the End" #~ msgstr "Убаци на крај" #~ msgid "" #~ "\n" #~ "\n" #~ "

      Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

      " #~ msgstr "" #~ "\n" #~ "\n" #~ "

      Овде убаците или " #~ "уредите атомске координате. Можете да убаците готово било који одломак " #~ "текста, који садржи координате

      " #~ msgid "(None)" #~ msgstr "(Ништа)" #~ msgid "Sort by " #~ msgstr "Поређај према " #~ msgid "Number of atoms:" #~ msgstr "Број атома:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Број заокретљивих веза:" #~ msgid "Add Constraints" #~ msgstr "Додај ограничења" #~ msgid "Ignore Atom" #~ msgstr "Занемари атом" #~ msgid "Fix Atom" #~ msgstr "Поправи атом" #~ msgid "Fix Atom X" #~ msgstr "Поправи атом X" #~ msgid "Fix Atom Y" #~ msgstr "Поправи атом Y" #~ msgid "Fix Atom Z" #~ msgstr "Поправи атом Z" #~ msgid "Torsion angle" #~ msgstr "Угао увијања" #~ msgid "Add" #~ msgstr "Додај" #~ msgid "Save" #~ msgstr "Сачувај" #~ msgid "Load" #~ msgstr "Учитај" #~ msgid "Atomic &identites:" #~ msgstr "Атомски &идентитет:" #~ msgid "Surface Slab Builder" #~ msgstr "Градилац табле површине" #~ msgid "Plane:" #~ msgstr "Раван:" #~ msgid "&Miller Indices:" #~ msgstr "&Милеров показатељ:" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Упозорење: Користите не-нулте Милерове показатеље" #~ msgid "Width (x)" #~ msgstr "Ширина (x)" #~ msgid "Width (y)" #~ msgstr "Ширина (y)" #~ msgid "Height (z)" #~ msgstr "Висина (z)" #~ msgid "length" #~ msgstr "дужина" #~ msgid "cell repeats" #~ msgstr "понављања ћелије" #~ msgid "&Translate " #~ msgstr "&Преведи " #~ msgid "by arbitrary vector" #~ msgstr "према произвољном вектору" #~ msgid "selected atom to unit cell center" #~ msgstr "изабрани атом на средиште јединичне ћелије" #~ msgid "Translation vector:" #~ msgstr "Вектор превођења:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "&Векторске јединице:" #~ msgid "Cartesian" #~ msgstr "Декартове" #~ msgid "&Translate" #~ msgstr "&Преведи" #~ msgid "Crystal View Options" #~ msgstr "Опције прегледа кристала" #~ msgid "Unit Cell Repeats:" #~ msgstr "Понављања јединичне ћелије:" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Да нацртам јединичну ћелију?" #~ msgid "One" #~ msgstr "Један" #~ msgid "All" #~ msgstr "Све" #~ msgid "Color..." #~ msgstr "Боја..." #~ msgid "View Along:" #~ msgstr "Прегледај уз:" #~ msgid "Default View" #~ msgstr "Подразумевани приказ" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Милеров показатељ" #~ msgid "File Import..." #~ msgstr "Увоз датотеке..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "Да покушам да спознам везе?" #~ msgid "Setup Force Field" #~ msgstr "Подеси поље силе" #~ msgid "Ghemical" #~ msgstr "Гхемија" #~ msgid "Number of steps" #~ msgstr "Број корака" #~ msgid "Algorithm" #~ msgstr "Алгоритам" #~ msgid "10e-" #~ msgstr "10e-" #~ msgid "Alanine" #~ msgstr "Аланин" #~ msgid "Ala" #~ msgstr "Ала" #~ msgid "Arginine" #~ msgstr "Аргинин" #~ msgid "Arg" #~ msgstr "Арг" #~ msgid "Asparagine" #~ msgstr "Аспарагин" #~ msgid "Asn" #~ msgstr "Асн" #~ msgid "Aspartic acid" #~ msgstr "Аспарагинска киселина" #~ msgid "Asp" #~ msgstr "Асп" #~ msgid "Cysteine" #~ msgstr "Цистеин" #~ msgid "Cys" #~ msgstr "Цис" #~ msgid "Glutamic acid" #~ msgstr "Глутаминска киселина" #~ msgid "Glu" #~ msgstr "Глу" #~ msgid "Glutamine" #~ msgstr "Глутамин" #~ msgid "Gln" #~ msgstr "Глн" #~ msgid "Glycine" #~ msgstr "Глицин" #~ msgid "Gly" #~ msgstr "Гли" #~ msgid "Histidine" #~ msgstr "Хистидин" #~ msgid "His" #~ msgstr "Хис" #~ msgid "Isoleucine" #~ msgstr "Изолеуцин" #~ msgid "Ile" #~ msgstr "Иле" #~ msgid "Valine" #~ msgstr "Валин" #~ msgid "Val" #~ msgstr "Вал" #~ msgid "Tyrosine" #~ msgstr "Тирозин" # #-#-#-#-# goffice.po (gnumeric 1.2) #-#-#-#-# # Question for autor: Is this Y like YES? #~ msgid "Tyr" #~ msgstr "Тир" #~ msgid "Tryptophan" #~ msgstr "Триптофан" #~ msgid "Trp" #~ msgstr "Трп" #~ msgid "Threonine" #~ msgstr "Треонин" #~ msgid "Thr" #~ msgstr "Тр" #~ msgid "Serine" #~ msgstr "Серин" #~ msgid "Ser" #~ msgstr "Сер" #~ msgid "Proline" #~ msgstr "Пролин" #~ msgid "Phenylalanine" #~ msgstr "Фенилаланин" #~ msgid "Phe" #~ msgstr "Фе" #~ msgid "Methionine" #~ msgstr "Метионин" #~ msgid "Met" #~ msgstr "Мет" #~ msgid "Lysine" #~ msgstr "Лизин" #~ msgid "Lys" #~ msgstr "Лиз" #~ msgid "Leucine" #~ msgstr "Леуцин" #~ msgid "Leu" #~ msgstr "Леу" #~ msgid "Sequence (N to C):" #~ msgstr "Низ (N до C):" #~ msgid "Stereochemistry:" #~ msgstr "Стереохемија:" #~ msgid "L" #~ msgstr "Л" #~ msgid "N Terminus:" #~ msgstr "N свршетак:" #~ msgid "C Terminus:" #~ msgstr "C свршетак:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" # #-#-#-#-# dia.po (dia) #-#-#-#-# # Translators: Menu item Verb/Support/Secure #~ msgid "Structure:" #~ msgstr "Структура:" #~ msgid "Straight Chain" #~ msgstr "Прав ланац" #~ msgid "Alpha Helix" #~ msgstr "Алфа спирала" #~ msgid "Beta Sheet" #~ msgstr "Бета лист" #~ msgid "Pi Helix" #~ msgstr "Pi спирала" #~ msgid "Phi:" #~ msgstr "Фи:" #~ msgid "Psi:" #~ msgstr "Пси:" #~ msgid "Chain Number:" #~ msgstr "Број ланца:" #~ msgid "The chain number for the new peptide" #~ msgstr "Број ланца за нови пептид" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Број остатака:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Енергија (kJ/mol):" #~ msgid "Dipole Moment (D):" #~ msgstr "Диполни момент (D):" #~ msgid "select Fragment" #~ msgstr "изабери одломак" #~ msgid "Basic" #~ msgstr "Основа" #~ msgid "Comment" #~ msgstr "Напомена" #~ msgid "Frequency" #~ msgstr "Учесталост" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "ДФТ" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Format" #~ msgstr "Запис" #~ msgid "z-Matrix" #~ msgstr "z-матрица" #~ msgid "z-Matrix compact" #~ msgstr "Збијена z-матрица" #~ msgid "Advanced" #~ msgstr "Напредно" #~ msgid "Basis Set" #~ msgstr "Подешавање основе" #~ msgid "Control" #~ msgstr "Управљање" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "RijCosX" #~ msgstr "RijCosX" #~ msgid "Relativistic" #~ msgstr "Релативистички" #~ msgid "ZORA" #~ msgstr "ZORA" #~ msgid "IORA" #~ msgstr "IORA" #~ msgid "DKH" #~ msgstr "DKH" #~ msgid "Order" #~ msgstr "Поредак" #~ msgid "Run type" #~ msgstr "Врста покретања" #~ msgid "MOs" #~ msgstr "MOs" #~ msgid "Basis Sets" #~ msgstr "Подешавања основе" #~ msgid "Printlevel" #~ msgstr "Ниво исписа" #~ msgid "Small" #~ msgstr "Мало" #~ msgid "Large" #~ msgstr "Велико" #~ msgid "Damping" #~ msgstr "Одлагање" #~ msgid "Factor" #~ msgstr "Чинилац" #~ msgid "" #~ "

      select only if no defaults are wanted

      " #~ msgstr "" #~ "

      изабери само ако се основности не траже

      " #~ msgid "Accuracy" #~ msgstr "Тачност" #~ msgid "KDIIS" #~ msgstr "KDIIS" #~ msgid "Levelshift " #~ msgstr "Помак нивоа " #~ msgid "Levelshift" #~ msgstr "Помак нивоа" #~ msgid "2nd Order" #~ msgstr "2° реда" #~ msgid "SOSCF" #~ msgstr "SOSCF" #~ msgid "NRSCF" #~ msgstr "НРСЦФ" #~ msgid "AHSCF" #~ msgstr "АХСЦФ" #~ msgid "max. SCF iterations" #~ msgstr "највише СЦФ понављања" #~ msgid "SCF Type" #~ msgstr "СЦФ врста" #~ msgid "restricted" #~ msgstr "ограничено" #~ msgid "unrestricted" #~ msgstr "неограничено" #~ msgid "restricted open-shell" #~ msgstr "ограничена отворена шкољка" #~ msgid "SFitting" #~ msgstr "С-испуњавање" #~ msgid "GridX" #~ msgstr "Икс мрежа" #~ msgid "FinalGridX" #~ msgstr "Крајња Икс мрежа" #~ msgid "DFT Functional" #~ msgstr "ДФТ функционал" #~ msgid "Grid" #~ msgstr "Мрежа" #~ msgid "FinalGrid" #~ msgstr "Крајња мрежа" #~ msgid "POV-Ray Export" #~ msgstr "ПОВ-Реј извоз" #~ msgid "Select..." #~ msgstr "Изабери..." #~ msgid "povray" #~ msgstr "повреј" #~ msgid "Use full scene antialiasing" #~ msgstr "Користите умекшавање читаве сцене" #~ msgid "Antialias" #~ msgstr "Умекшавање ивица" #~ msgid "Set the background color to be transparent" #~ msgstr "Подесите боју позадине да буде прозирна" #~ msgid "Alpha transparency" #~ msgstr "Алфа провидност" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Исцртајте молекул непосредно користећи ПОВ-Реј линије наредби" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Задржите извор ПОВ-Реја након обављеног исцртавања" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Задржи извор ПОВ-Реја након исцртавања" #~ msgid "Path:" #~ msgstr "Путања:" #~ msgid "Abinit Input" #~ msgstr "Абинитов улаз" #~ msgid "10.0" #~ msgstr "10.0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Декартов (Ангстром)" #~ msgid "Reduced" #~ msgstr "Умањено" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Одсецање таласа равни (Ha):" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Толеранција на силама(Ha/bohr):" #~ msgid "Max lattice expansion:" #~ msgstr "Највећа раширеност решетке:" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "помак к-тачке:" #~ msgid "0.0" #~ msgstr "0,0" #~ msgid "Number of bands:" #~ msgstr "Број линија:" #~ msgid "# k-point shifts:" #~ msgstr "# помака к-тачке:" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "ПВ одсецање двоструке мреже (Ha):" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Шема заузећа:" #~ msgid "SCF tolerance type:" #~ msgstr "Врста СЦФ толеранције:" #~ msgid "Wave Function norm" #~ msgstr "Образац функције таласа" #~ msgid "Total Potential" #~ msgstr "Укупни потенцијал" #~ msgid "Maximum Force" #~ msgstr "Највећа сила" #~ msgid "Relative Force" #~ msgstr "Релативна сила" #~ msgid "1 - semiconducting" #~ msgstr "1 — полупроводљивост" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 — Ферми-Дираково" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 — Хладно расплињавање (Marzari)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 — Гаусово расплињавање" #~ msgid "Smearing width (Ha):" #~ msgstr "Ширина расплињавања (Ha):" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 — без покретних јона " #~ msgid "1 - viscous damping" #~ msgstr "1 — вискозно пригушење" #~ msgid "2 - BFGS " #~ msgstr "2 — БГФС " #~ msgid "3 - BFGS with energy" #~ msgstr "3 – БГФС са енергијом" #~ msgid "# Geometrical time steps:" #~ msgstr "Број корака геометријског времена" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Ублажавање кинетичке енергије (Ha):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Израчунај..." #~ msgid "Dalton Input" #~ msgstr "Далтонов улаз" #~ msgid "Basics" #~ msgstr "Основе" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Додајте оно што уписујете у насловном реду улазне датотеке зарад ваше\n" #~ "личне обавештености." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "Basis Set:" #~ msgstr "Подешавања основе:" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Поплов стил" #~ msgid "Jensen's polarization consistent" #~ msgstr "Одржљивост Џенсенове поларизације" #~ msgid "Dunning's correlation consistent" #~ msgstr "Одржљивост Данинговог међуодноса" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Функције међуодноса језгра" #~ msgid "Diffuse functions" #~ msgstr "Функције простирања" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Усмери" #~ msgid "Parallel" #~ msgstr "Паралелно" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Одредба мреже" #~ msgid "Partitioning Scheme:" #~ msgstr "Шема поделе:" #~ msgid "Becke" #~ msgstr "Беки" #~ msgid "Becke (original)" #~ msgstr "Беки (изворно)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Квалитет мреже:" #~ msgid "coarse" #~ msgstr "храпава" #~ msgid "normal" #~ msgstr "обична" #~ msgid "fine" #~ msgstr "фина" #~ msgid "ultrafine" #~ msgstr "врло фина" #~ msgid "Radial Scheme:" #~ msgstr "Шема полупречника:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Прикажи све функционале" #~ msgid "Property:" #~ msgstr "Својство:" #~ msgid "Polarizability" #~ msgstr "Поларизационост" #~ msgid "Frequency Dependent" #~ msgstr "Зависан од учесталости" #~ msgid "No. excitations:" #~ msgstr "Бр. подстицаја:" #~ msgid "EFP Matches" #~ msgstr "ЕФП поклапања" #~ msgid "Group Label:" #~ msgstr "Натпис групе:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Напредна подешавања" #~ msgid "Hessian" #~ msgstr "Хесијана" #~ msgid "Stat Point" #~ msgstr "Тачка стања" #~ msgid "System" #~ msgstr "Систем" #~ msgid "MO Guess" #~ msgstr "Процена МО-е" #~ msgid "Misc" #~ msgstr "Разно" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D Функције поларизације тешког атома:" #~ msgid "Read" #~ msgstr "Читај" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Хеј-Вадт" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "С-љуска простирања на тешким атомима" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Л-љуска простирања на тешким атомима" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Двострука зета валентност" #~ msgid "Dunning/Hay DZ" #~ msgstr "Данинг/Хеј ДЗ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Бининг/Куртис ДЗ" #~ msgid "Triple Zeta Valence" #~ msgstr "Трострука зета валентност" #~ msgid "SBKJA Valence" #~ msgstr "СБКЈА валентност" #~ msgid "Hay/Wadt Valence" #~ msgstr "Хеј/Вадт валентност" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ЕЦП врста:" #~ msgid "Default" #~ msgstr "Основно" #~ msgid "Pople" #~ msgstr "Попл" #~ msgid "Pople N311" #~ msgstr "Попл N311" #~ msgid "Huzinaga" #~ msgstr "Хузинага" #~ msgid "Hondo7" #~ msgstr "Хондо7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F функције поларизације тешког атома:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#функције поларизације лаког атома:" #~ msgid "Polar:" #~ msgstr "Полар:" #~ msgid "Max SCF Iterations:" #~ msgstr "Највише СЦФ понављања:" #~ msgid "Gradient" #~ msgstr "Прелив" #~ msgid "Trudge" #~ msgstr "Гажење" #~ msgid "Saddle Point" #~ msgstr "Тачка оптерећења" #~ msgid "IRC" #~ msgstr "ИРЦ" #~ msgid "Gradient Extremal" #~ msgstr "Крајњости прелива" #~ msgid "DRC" #~ msgstr "ДРЦ" #~ msgid "Morokuma" #~ msgstr "Морокума" #~ msgid "Spin Orbit" #~ msgstr "Орбита спина" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Општа оптимизација" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "ФМО оптимизација" #~ msgid "Make EFP" #~ msgstr "Направи ЕФП" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "ГВБ" #~ msgid "MCSCF" #~ msgstr "МЦСЦФ" #~ msgid "None (CI)" #~ msgstr "Ништа (ЦИ)" #~ msgid "Foster-Boys" #~ msgstr "Фостер-Бојз" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Едмистрон-Риденберг" #~ msgid "Pipek-Mezey" #~ msgstr "Пипек-Мези" #~ msgid "SCF Type:" #~ msgstr "СЦФ врста:" #~ msgid "Localization Method:" #~ msgstr "Начин локализације:" #~ msgid "Exec Type:" #~ msgstr "Врста извршавања:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "ГУГА" #~ msgid "General CI" #~ msgstr "Општи ЦИ" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: ЦЦ са двоструким" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "ЦР-ЦЦ" #~ msgid "EOM-CCSD" #~ msgstr "ЕОМ-ЦЦСД" #~ msgid "CR-EOM" #~ msgstr "ЦР-ЕОМ" #~ msgid "Normal Run" #~ msgstr "Обично извршавање" #~ msgid "Check" #~ msgstr "Испитај" #~ msgid "Debug" #~ msgstr "Прочисти" #~ msgid "Molecule Charge:" #~ msgstr "Наелектрисање молекула:" #~ msgid "Run Type:" #~ msgstr "Врста покретања:" #~ msgid "Use MP2" #~ msgstr "Користи МП2" #~ msgid "Use DFT" #~ msgstr "Користи ДФТ" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# променљивих Z-матрице" #~ msgid "Ǻngstrom" #~ msgstr "Ǻнгстром" #~ msgid "Order of Principal Axis:" #~ msgstr "Поредак главних оса:" #~ msgid "Coordinate Type:" #~ msgstr "Врста координата:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Јединствене Декартове координате" #~ msgid "MOPAC Z-Matrix" #~ msgstr "МОПАЦ Z-матрица" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Користи симетрију за време прорачуна" #~ msgid "Point Group:" #~ msgstr "Група тачке:" #~ msgid "Minutes" #~ msgstr "Минути" #~ msgid "Hours" #~ msgstr "Сати" #~ msgid "Days" #~ msgstr "Дани" #~ msgid "Weeks" #~ msgstr "Недеље" #~ msgid "Years" #~ msgstr "Године" #~ msgid "Millenia" #~ msgstr "Векови" #~ msgid "MegaWords" #~ msgstr "Мега речи" #~ msgid "MegaBytes" #~ msgstr "Мега бајта" #~ msgid "GigaWords" #~ msgstr "Гига речи" #~ msgid "GigaBytes" #~ msgstr "Гига бајта" #~ msgid "Force Parallel Methods" #~ msgstr "Присили паралелне начине" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "МемДДИ:" #~ msgid "Memory:" #~ msgstr "Меморија:" #~ msgid "Diagonalization Method:" #~ msgstr "Начин дијагонализације:" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Понављање" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Следећа вредност" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Користи спољно представљање података за поруке" #~ msgid "Initial Guess:" #~ msgstr "Почетна процена:" #~ msgid "Hückel" #~ msgstr "Хикел" #~ msgid "HCore" #~ msgstr "Х језгро" #~ msgid "MO Read ($VEC)" #~ msgstr "МО читање ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "МО сачуван (DICTNRY)" #~ msgid "Skip" #~ msgstr "Прескочи" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Заокрени алфа и бета орбите" #~ msgid "Print the Initial Guess" #~ msgstr "Испиши почетну процену" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "ГАМЕСС сучеље за друге кодове" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "Плт орб" #~ msgid "AIMPAC" #~ msgstr "АИМПАЦ" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Приморај врсту покретања провере" #~ msgid "Hondo 8.2" #~ msgstr "Хондо 8.2" #~ msgid "MELDF" #~ msgstr "МЕЛДФ" #~ msgid "GAMESS (UK Version)" #~ msgstr "ГАМЕСС (УК издање)" #~ msgid "Gaussian 9x" #~ msgstr "Гаусово 9х" #~ msgid "Solvate with Water" #~ msgstr "Раствор са водом" #~ msgid "Becke 1988 exchange" #~ msgstr "Бекијева 1988 размена" #~ msgid "Grid-Free" #~ msgstr "Слободна мрежа" #~ msgid "DFT Functional:" #~ msgstr "ДФТ функционал:" #~ msgid "Duplicated on Each Node" #~ msgstr "Удвостручен на сваком чвору" #~ msgid "Distributed Across All Nodes" #~ msgstr "Расподељен по свим чворовима" #~ msgid "words" #~ msgstr "речи" #~ msgid "Compute MP2 Properties" #~ msgstr "Израчунај својства за МП2" #~ msgid "# of Core Electrons:" #~ msgstr "бр. електрона језгра:" #~ msgid "Transformation Method" #~ msgstr "Начин трансформације" #~ msgid "Numeric" #~ msgstr "Бројевни" #~ msgid "Double Differenced Hessian" #~ msgstr "Хесијана диференцијала другог реда" #~ msgid "Displacement Size:" #~ msgstr "Величина размештаја:" #~ msgid "Purify Hessian" #~ msgstr "Прочисти Хесијану" #~ msgid "bohrs" #~ msgstr "бора" #~ msgid "Initial Hessian" #~ msgstr "Почетна Хесијана" #~ msgid "Guess (+ define)" #~ msgstr "Процени (+ одреди)" #~ msgid "Read (from $HESS)" #~ msgstr "Читам (из $HESS)" #~ msgid "Update Step Size" #~ msgstr "Освежи величину корака" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Испиши орбите при сваком понављању" #~ msgid "Jump Size:" #~ msgstr "Величина скока:" #~ msgid "Stationary Point" #~ msgstr "Стационарна тачка" #~ msgid "Initial:" #~ msgstr "Почетно:" #~ msgid "Newton-Raphson" #~ msgstr "Њутн-Рафсон" #~ msgid "Rational Function Optimization" #~ msgstr "Оптимизација рационалне функције" #~ msgid "Quadratic Approximation" #~ msgstr "Квадратна апроксимација" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Шлегел (квази-НР)" #~ msgid "Constrained Optimization" #~ msgstr "Ограничена оптимизација" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Поново израчунај Хесијану сваког:" #~ msgid "Follow Mode:" #~ msgstr "Режим праћења:" #~ msgid "GAMESS-UK Input" #~ msgstr "ГАМЕСС-УК улаз" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "ГАМЕСС-УК улаз створен Авогадром" #~ msgid "Calculation:" #~ msgstr "Прорачун:" #~ msgid "Transition State Search" #~ msgstr "Претрага стања прелаза" #~ msgid "Basis:" #~ msgstr "Основно:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Z-матрица" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "У непосредном режиму, интеграли се не чувају на диску, већ се " #~ "израчунавају по потреби.\n" #~ "На савременим системима са брзим процесорима и спорим дисковима, " #~ "непосредни је често бржи." #~ msgid "Run in direct mode:" #~ msgstr "Покрени у непосредном режиму:" #~ msgid "Gaussian Input" #~ msgstr "Улаз Гауска" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Стандард" #~ msgid "Molden" #~ msgstr "Молден" #~ msgid "Molekel" #~ msgstr "Молекел" #~ msgid "Checkpoint:" #~ msgstr "Тачка провере:" #~ msgid "Z-matrix (compact)" #~ msgstr "z-матрица (збијена)" #~ msgid "" #~ "\n" #~ "\n" #~ "

      " #~ msgstr "" #~ "\n" #~ "\n" #~ "

      " #~ msgid "MOLPRO Input" #~ msgstr "Улаз МОЛПРО-а" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Издање Молпро-а:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "Улаз МОПАК-а" #~ msgid "Quartet" #~ msgstr "Квартет" #~ msgid "Quintet" #~ msgstr "Квинтет" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Улаз НВХемије" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Улаз Ку-Хемије" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "Улаз Тера-Хемије" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Неограничено" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "не" #~ msgid "yes" #~ msgstr "да" #~ msgid "D2" #~ msgstr "D2" #~ msgid "D3" #~ msgstr "D3" #~ msgid "Dispersion:" #~ msgstr "Расипање:" #~ msgid "Load Shaders" #~ msgstr "Учитај нијансере" #~ msgid "Shader Name:" #~ msgstr "Назив нијансера:" #~ msgid "Vertex Shader:" #~ msgstr "Нијансер врхунца" #~ msgid "Fragment Shader:" #~ msgstr "Нијансер одломка:" #~ msgid "Assign Shader" #~ msgstr "Додели нијансера" #~ msgid "Display Type:" #~ msgstr "Врста приказа:" #~ msgid "Font:" #~ msgstr "Писмо:" #~ msgid "Change Font..." #~ msgstr "Измени словни лик..." #~ msgid "Foreground:" #~ msgstr "Прочеље:" #~ msgid "New..." #~ msgstr "Ново..." #~ msgid "Rename..." #~ msgstr "Преименуј..." #~ msgid "&Schemes:" #~ msgstr "&Шеме:" #~ msgid "&DPI:" #~ msgstr "&ТПИ:" #~ msgid "&Width:" #~ msgstr "&Ширина:" #~ msgid "&Height" #~ msgstr "&Висина" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "инча" #~ msgid "px" #~ msgstr "px" #~ msgid "&Save Image..." #~ msgstr "&Сачувај слику..." #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Сам дотерај величину &слова" #~ msgid "Spectra Tab" #~ msgstr "Језичак спектра" #~ msgid "&Gaussian Width:" #~ msgstr "&Гаусова ширина:" #~ msgid "Rotatory Strength type:" #~ msgstr "Врста јачине окретања:" #~ msgid "Energy units:" #~ msgstr "Јединице енергије:" #~ msgid "Density units" #~ msgstr "Јединице густине:" #~ msgid "Fermi Energy: " #~ msgstr "Фермијева енергија: " #~ msgid "States / Cell" #~ msgstr "Стања / Ћелија" #~ msgid "States / Atom" #~ msgstr "Стања / Атом" #~ msgid "States / Valence electron" #~ msgstr "Стања / Валентни електрон" #~ msgid "Fermi energy at zero" #~ msgstr "Фермијева енергија на нули" #~ msgid "Scale integrated DOS" #~ msgstr "Сразмери обједињени ДОС" #~ msgid "Show integrated DOS" #~ msgstr "Прикажи обједињени ДОС" #~ msgid "&Y Axis Units:" #~ msgstr "Јединице &Y осе:" #~ msgid "Scaling Type:" #~ msgstr "Врста сразмеравања:" #~ msgid "Relative" #~ msgstr "Релативно" #~ msgid "Laser Wavenumber:" #~ msgstr "Таласни број ласера:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "Nucleus:" #~ msgstr "Језгро:" #~ msgid "Gaussian &Width:" #~ msgstr "Гаусова &ширина:" #~ msgid "Reset &Plot Axes" #~ msgstr "Поврати осе &графикона" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Вибрације молекула" #~ msgid "Filter: " #~ msgstr "Пропусник: " #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Активност (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "&Прикажи спектар..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "више вибрације учесталости приказаће брже покрете" #~ msgid "Animation speed set by frequency" #~ msgstr "Брзина анимације подешена учесталошћу" #~ msgid "Display force &vectors" #~ msgstr "Прикажи &векторе силе" #~ msgid "&Normalize displacements" #~ msgstr "&Нормализуј размештај" #~ msgid "&Recalculate All" #~ msgstr "&Поново израчунај све" #~ msgid "Default &Quality:" #~ msgstr "Основни &квалитет:" #~ msgid "Show occupied orbitals first" #~ msgstr "Прво прикажи заузете орбитале" #~ msgid "Limit orbital precalculations to " #~ msgstr "Ограничи предпрорачуне орбитале на " #~ msgid "Surface Type:" #~ msgstr "Врста површине:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Ниска" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Средња" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Висока" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Врло висока" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "У врсту приказа:" #~ msgid "New Display" #~ msgstr "Нови приказ" #~ msgid "Advanced..." #~ msgstr "Напредно..." #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "&Дужина:" #~ msgid "Uni&t:" #~ msgstr "&Јединица:" #~ msgid "periodic units" #~ msgstr "јединица периоде" #~ msgid "angstrom" #~ msgstr "ангстром" #~ msgid "nanometers" #~ msgstr "нанометри" #~ msgid "Find &double bonds" #~ msgstr "Нађи &двоструке везе" #~ msgid "Molecular Symmetry" #~ msgstr "Симетрија молекула" #~ msgid "Display visual cues" #~ msgstr "Прикажи видне знаке" #~ msgid "Python Settings" #~ msgstr "Подешавања Питона" #~ msgid "Z Matrix Editor" #~ msgstr "Уређивач Z-матрице" avogadrolibs-1.100.0/i18n/sv.po000066400000000000000000007270071474375334400161270ustar00rootroot00000000000000# Swedish translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-11 04:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Swedish \n" "Language: sv\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Okänd" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Väte" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Helium" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Litium" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Beryllium" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Kol" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Kväve" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Syre" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Natrium" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnesium" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Aluminium" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Kisel" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Svavel" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Klor" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Kalium" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Kalcium" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Skandium" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titan" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadin" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Krom" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Mangan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Järn" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Kobolt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nickel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Koppar" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Zink" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Gallium" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germanium" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsenik" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selen" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Krypton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidium" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Strontium" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Yttrium" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirkonium" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niob" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molybden" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Teknetium" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Rutenium" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rodium" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Palladium" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Silver" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Kadmium" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indium" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Tenn" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Tellur" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Jod" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Cesium" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Barium" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantan" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cerium" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodym" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodym" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Prometium" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samarium" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europium" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinium" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbium" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Dysprosium" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmium" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbium" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Tulium" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Ytterbium" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutetium" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnium" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Volfram" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Rhenium" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmium" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridium" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "platina" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Guld" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Kvicksilver" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Tallium" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Bly" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Vismut" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonium" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astat" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Francium" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radium" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Aktinium" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Torium" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protaktinium" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uran" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptunium" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutonium" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Americium" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Curium" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkelium" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Californium" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Einsteinium" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermium" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelevium" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelium" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Lawrencium" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherfordium" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnium" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgium" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bohrium" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassium" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitnerium" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtium" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Röntgenium" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Copernicium" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihonium" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flerovium" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moskovium" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermorium" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tenness" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Avbild" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Kraft" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Etikett" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 #, fuzzy msgid "Van der Waals" msgstr "Van der Waals-sfärer" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:335 #, fuzzy msgid "Set Bond Orders" msgstr "Bindningsordning" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Arkiv" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 #, fuzzy msgid "&Export" msgstr "&Exportera" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Gundämne:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Rada upp" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Axel:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "Av anpassad färg…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy msgid "By Partial Charge…" msgstr "Efter partiell laddning…" #: qtplugins/applycolors/applycolors.cpp:82 #, fuzzy msgid "By Secondary Structure" msgstr "sekundära struktur" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Vy" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Avbild" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Avbild" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 #, fuzzy msgid "Maximum distance:" msgstr "Maximalt avstånd:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 #, fuzzy msgid "Molecular Dynamics" msgstr "Molekyldynamik" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 #, fuzzy msgid "Molecular Mechanics" msgstr "Molekyldynamik" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Rita" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Rita atom" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Avstånd:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Enkel" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Dubbel" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Trippel" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 #, fuzzy msgid "&Import" msgstr "&Importera" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 #, fuzzy msgid "Optimize Geometry" msgstr "Optimera geometri" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "Enkel" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Visa väte" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Dölj väte" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "Väte" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Väte" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Infoga" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy msgid "Molecule…" msgstr "Molekyl…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Infoga fragment" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Infoga fragment" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Infoga molekylfragment för att bygga större molekyler." #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:170 #, fuzzy msgid "Distance from center:" msgstr "Avstånd från centrum:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 #, fuzzy msgid "Atom Label:" msgstr "Etikett" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Mät" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "Vinklar:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 #, fuzzy #| msgctxt "Unknown molecule name" #| msgid "unknown" msgid "unknown molecule" msgstr "okänd molekyl" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy msgid "&Molecular…" msgstr "&Molekyl…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 #, fuzzy msgid "Molecule Properties" msgstr "Molekylegenskaper" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy msgid "Export…" msgstr "Exportera…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Visa väte för pH…" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "Dölj väte" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Optimera geometri (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "Visa väte för pH" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Dölj väte (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Bindningsordning" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Längdenhet (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 #, fuzzy msgid "Secondary Structure" msgstr "Sekundära Struktur" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Vinklar (°)" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "Infoga fragment…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Kraftfält:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy msgid "Partial Charges" msgstr "Partiell laddning" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Bindningsordning:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Enkel" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Dubbel" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Kraftfält:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Enkel" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Dubbel" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Restriktion:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) #, fuzzy msgid "&Import..." msgstr "&Importera..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) #, fuzzy msgid "&Export..." msgstr "&Exportera..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Dostojevskji, ,Launchpad Contributions:," "Dostojevskji, ,Launchpad Contributions:,Dostojevskji, ,Launchpad " "Contributions:,Dostojevskji, ,Launchpad Contributions:,Dostojevskji, ," "Launchpad Contributions:,Dostojevskji, ,Launchpad Contributions:," "Dostojevskji, ,Launchpad Contributions:,Dostojevskji, ,Launchpad " "Contributions:,Dostojevskji, ,Launchpad Contributions:,Dostojevskji, ," "Launchpad Contributions:,Alexander Andjelkovic,Arve Eriksson,Daniel Nylander," "Dostojevskji,Peter Sahlin, ,Launchpad Contributions:,Alexander Andjelkovic," "Arve Eriksson,Daniel Nylander,Dostojevskji,Peter Sahlin, ,Launchpad " "Contributions:,Alexander Andjelkovic,Arve Eriksson,Daniel Nylander," "Dostojevskji,Peter Sahlin" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,darkangel_nr1@hotmail.com,,,darkangel_nr1@hotmail.com,,," "darkangel_nr1@hotmail.com,,,darkangel_nr1@hotmail.com,,," "darkangel_nr1@hotmail.com,,,darkangel_nr1@hotmail.com,,," "darkangel_nr1@hotmail.com,,,darkangel_nr1@hotmail.com,,," "darkangel_nr1@hotmail.com,,,darkangel_nr1@hotmail.com,,,,,yeager@ubuntu.com," "darkangel_nr1@hotmail.com,,,,,,yeager@ubuntu.com,darkangel_nr1@hotmail." "com,,,,,,yeager@ubuntu.com,darkangel_nr1@hotmail.com," #, fuzzy #~ msgid "Partial Charge" #~ msgstr "Färg efter partiell laddning" #, fuzzy #~| msgid "Auto Rotation Tool" #~ msgid "Animation Tool" #~ msgstr "Automatiskt rotationsverktyg" #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals-sfärer" #, fuzzy #~ msgid "Geometry" #~ msgstr "&Optimera geometri" #, fuzzy #~ msgid "By Distance" #~ msgstr "Avstånd:" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Gundämne:" #, fuzzy #~ msgid "Molecule Name:" #~ msgstr "Molekyldynamik (600 K)" #, fuzzy #~ msgid "Optimize" #~ msgstr "&Optimera geometri" #, fuzzy #~ msgid "Fragment…" #~ msgstr "Infoga fragment" #, fuzzy #~ msgid "Filename" #~ msgstr "&Arkiv" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Renderar proteinets sekundära struktur" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Gundämne:" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Visa väte för pH..." #, fuzzy #~ msgid "Atom Properties..." #~ msgstr "Molekylegenskaper..." #, fuzzy #~ msgid "Bond Properties..." #~ msgstr "Molekylegenskaper..." #, fuzzy #~ msgid "Angle Properties..." #~ msgstr "Molekylegenskaper..." #, fuzzy #~ msgid "Torsion Properties..." #~ msgstr "Molekylegenskaper..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Molekylegenskaper..." #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Avstånd:" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr " Visa vinklar" #, fuzzy #~ msgid "No" #~ msgstr "Neon" #, fuzzy #~ msgid "Import" #~ msgstr "Importera" #~ msgid "Insert SMILES" #~ msgstr "Infoga SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Infoga SMILES-fragment:" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "Infoga fragment" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Infoga molekylfragment för att bygga större molekyler" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Optimera geometri" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Visa väte" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Färg efter index (röd, orange, gul, grön, blå, violett)." #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "Färg efter atomär partiell laddning (blå = positiv, röd = negativ." #~ msgid "Set custom colors for objects" #~ msgstr "Anpassa färg för objekt" #~ msgid "Color by Distance" #~ msgstr "Färg efter avstånd" #~ msgid "Color by distance from the first atom." #~ msgstr "Färg efter avstånd från första atomen." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Färg efter grundämne (kol = grå, syre = röd, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Färg efter rest (aminosyrasort, hydrofobicitet, ..." #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS-mönster:" #~ msgid "Highlight Color:" #~ msgstr "Markeringsfärg:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Färg efter SMARTS-mönster" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Markera speciella funktioner som matchar ett SMARTS-mönster." #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Axes" #~ msgstr "Axlar" #~ msgid "Hydrogen Bond" #~ msgstr "Vätebindning" #~ msgid "Renders hydrogen bonds" #~ msgstr "Renderar vätebindningar" #~ msgid "Polygon" #~ msgstr "Polygon" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Renderar atomer som tetraedrar, oktaedrar, och andra polygoner" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Din molekyl ska innehålla minst en atom för att kunna lägga till en " #~ "restriktion" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Din molekyl ska innehålla minst två atomer för att kunna lägga till en " #~ "restriktion för bindningen" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Din molekyl ska innehålla minst tre atomer för att kunna lägga till en " #~ "restriktion för vinkeln" #~ msgid "&Angle Unit" #~ msgstr "&Vinkelenhet" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Vektorgrafikexport" #~ msgid "H to Methyl" #~ msgstr "H till metyl" #~ msgid "Add or remove hydrogens" #~ msgstr "Visa eller dölj väte" #~ msgid "Peptide..." #~ msgstr "Peptid..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Infoga oligopeptidsekvenser" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Uppskattat dipolmoment (D):" #~ msgid "Align:" #~ msgstr "Räta upp" #~ msgid "Everything" #~ msgstr "Allting" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "Automatisk optimering: Kunde inte ställa in kraftfält..." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Steps per Update:" #~ msgstr "Steg per uppdatering:" #~ msgid "Algorithm:" #~ msgstr "Algoritm:" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Molekyldynamik (900 K)" #~ msgid "Fixed atoms are movable" #~ msgstr "Fasta atomer är flyttbara" #~ msgid "Ignored atoms are movable" #~ msgstr "Ignorerade atomer är flyttbara" #~ msgid "x rotation:" #~ msgstr "x rotation:" #~ msgid "y rotation:" #~ msgstr "Y-rotation:" #~ msgid "z rotation:" #~ msgstr "z rotation:" #~ msgid "z rotation" #~ msgstr "z rotation" #~ msgid "0/0" #~ msgstr "0/0" avogadrolibs-1.100.0/i18n/ta.po000066400000000000000000012732511474375334400161010ustar00rootroot00000000000000# Translations for the Avogadro molecular builder. # Copyright (C) 2006-2018 The Avogadro Project # This file is distributed under the same license as the Avogadro package. # தமிழ்நேரம் , 2024. # Weblate Translation Memory , 2024. msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2024-12-26 19:19+0000\n" "Last-Translator: தமிழ்நேரம் \n" "Language-Team: Tamil \n" "Language: ta\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.10-dev\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "தொகுதி வேலை #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "எந்த செய்தியும் குறிப்பிடப்படவில்லை." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "ச்கிரிப்ட்-பிரின்ட்-ஆப்சன்ச் வெளியீடு மேல் மட்டத்தில் ஒரு சாதொபொகு பொருளாக இருக்க வேண்டும். " "பெறப்பட்டது:\n" " %1" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "சரம் அல்லாத எச்சரிக்கை திரும்பியது." #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "'எச்சரிக்கைகள்' உறுப்பினர் ஒரு வரிசை அல்ல." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "குறிப்பு கோப்பு '%1' இல்லை." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "பிழையானது கோப்பு %1: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "'%1' கோப்பு மோசமாக உருவானது. சரம் 'உள்ளடக்கங்கள்' அல்லது 'ஃபைல்பாத்' உறுப்பினர்களைக் " "காணவில்லை." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "தவறான கோப்பு நுழைவு: கோப்பு பெயர்/உள்ளடக்கங்கள் காணவில்லை அல்லது சரங்கள் இல்லை:\n" " %1" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "குறியீட்டு %1 இல் தவறான கோப்பு நுழைவு: ஒரு பொருள் அல்ல." #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "'கோப்புகள்' உறுப்பினர் ஒரு வரிசை அல்ல." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "'கோப்புகள்' உறுப்பினர் காணவில்லை." #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "'மெயின்ஃபைல்' உறுப்பினர் 'கோப்புகளில்' ஒரு உள்ளீட்டைக் குறிக்கவில்லை." #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "'மெயின்ஃபைல்' உறுப்பினர் ஒரு சரமாக இருக்க வேண்டும்." #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "பதில் மேல் மட்டத்தில் சாதொபொகு பொருளாக இருக்க வேண்டும்." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "ச்கிரிப்ட் வெளியீடு:\n" " %1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "ஆஃப்செட் %L1 இல் பாகுபடுத்தல் பிழை: '%2'\n" " ரா சோன்:\n" "\n" " %3" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "பிழையான மூலக்கூறு பிரதிநிதித்துவத்தை சரத்திற்கு சேமிப்பது: அங்கீகரிக்கப்படாத கோப்பு " "வடிவம்: %1" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "பிழையானது மூலக்கூறு பிரதிநிதித்துவத்தை சரத்திற்கு சேமிப்பது: %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "சி.சே.எச்.இன் பொருளை உருவாக்கும் பிழை: ஆஃப்செட்டில் பாகுபடுத்தும் பிழை %1: %2\n" " ரா சோன்:\n" "\n" " %3" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "பிழை செனரேட்டர் சி.சே.எச்.சான் பொருள்: பாகுபடுத்தப்பட்ட சாதொபொகு ஒரு பொருள் அல்ல:\n" " %1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "உள்ளீட்டு செனரேட்டர் (பிழை)" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "%1 உள்ளீட்டு செனரேட்டர்" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "தொடரவும்" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "மூடு" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "தெரியவில்லை" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "பின்வரும் கோப்பு மாற்றியமைக்கப்பட்டுள்ளன:\n" "\n" " %1\n" "\n" " புதிய வடிவியல் அல்லது வேலை விருப்பங்களைப் பிரதிபலிக்க உங்கள் மாற்றங்களை மேலெழுத " "விரும்புகிறீர்களா?" msgstr[1] "" "பின்வரும் கோப்புகள் மாற்றியமைக்கப்பட்டுள்ளன:\n" "\n" " %1\n" "\n" " புதிய வடிவியல் அல்லது வேலை விருப்பங்களைப் பிரதிபலிக்க உங்கள் மாற்றங்களை மேலெழுத " "விரும்புகிறீர்களா?" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "மாற்றியமைக்கப்பட்ட உள்ளீட்டு கோப்புகளை மேலெழுதவா?" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "உள்ளீட்டு உருவாக்கத்தின் போது சிக்கல்கள் ஏற்பட்டன:" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "சேமிக்க உள்ளீட்டு கோப்புகள் இல்லை!" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "மோலெக்யூவுடன் இணைக்க முடியாது" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "மோலெக்யூ சேவையகத்துடன் இணைக்க முடியாது. தயவுசெய்து அது இயங்குவதை உறுதிசெய்து மீண்டும் " "முயற்சிக்கவும்." #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "%1 கணக்கீட்டை சமர்ப்பிக்கவும்" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "வேலை தோல்வியடைந்தது" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "வேலை வெற்றிகரமாக முடிக்கவில்லை." #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "ச்கிரிப்ட் எச்சரிக்கைகளை வழங்குகிறது:\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "மறை & எச்சரிக்கைகள்" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "காட்டு & எச்சரிக்கைகள்" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "பிழை ஏற்பட்டது:" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "வெளியீட்டு கோப்பு பெயரைத் தேர்ந்தெடுக்கவும்" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "உள் பிழை: '%1' என்ற கோப்பு பெயருக்கான உரை விட்செட்டைக் கண்டுபிடிக்க முடியவில்லை" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "வெளியீட்டு பிழை" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "கோப்பு %1 க்கு எழுதத் தவறிவிட்டது." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "வெளியீட்டு கோப்பகத்தைத் தேர்ந்தெடுக்கவும்" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: அடைவு இல்லை!" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: கோப்பகத்தைப் படிக்க முடியாது!" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: கோப்பு மேலெழுதப்படும்." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: கோப்பு எழுத முடியாது." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "அறியப்படாத பிழை காரணமாக உள்ளீட்டு கோப்புகளை எழுத முடியாது." #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "உள்ளீட்டு கோப்புகளை எழுத முடியாது:\n" "\n" " %1" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "உள்ளீட்டு கோப்புகளை எழுத முடியாது:\n" "\n" " %1\n" "\n" " எச்சரிக்கைகள்:\n" "\n" " %2" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "எச்சரிக்கை:\n" "\n" " %1\n" "\n" " தொடர விரும்புகிறீர்களா?" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "உள்ளீட்டு கோப்புகளை எழுதுங்கள்" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "வேலையை உள்ளமைக்கவும்" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "வேலையை மோலெக்யூவுக்கு சமர்ப்பித்தல்…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "வேலை சமர்ப்பிப்பு நேரம் முடிந்தது" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "அவோகாட்ரோ மோலெக்யூவிலிருந்து பதிலுக்காகக் காத்திருந்தார்." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "வேலை %1 “ %2” முடிக்க காத்திருக்கிறது…" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "காத்திருப்பதை நிறுத்துங்கள்" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "நிறைவு செய்யப்பட்ட வேலை தகவல்களைப் பெறுதல்…" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "வேலை மீட்டெடுப்பு நேரம் முடிந்தது" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "மோலெக்யூவிலிருந்து முடிக்கப்பட்ட வேலை விவரங்களுக்காக அவகாட்ரோ நேரம் ஒதுக்கினார்." #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "வேலை சமர்ப்பிப்பதில் பிழை" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "வேலை மோலெக்யூவால் நிராகரிக்கப்பட்டுள்ளது: %1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "எந்த நிரலும் தேர்ந்தெடுக்கப்படவில்லை." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "\"வரிசை மற்றும் நிரல்\" பட்டியலிலிருந்து இலக்கு நிரலைத் தேர்ந்தெடுக்கவும்." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "வாடிக்கையாளர் வேலையை மோலெக்யூவுக்கு சமர்ப்பிக்கத் தவறிவிட்டார்." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "உள் பிழை." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "நிரல் தேர்வை தீர்க்க முடியவில்லை. இது ஒரு பிழை." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "பின்னணி வடிவத்தில் எந்த மூலக்கூறும் அமைக்கப்படவில்லை!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "இல்லை io :: fileformat backtelfileformat இல் அமைக்கப்பட்டுள்ளது!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "பின்னணி ஃபைல்ஃபார்மட்டில் எந்த கோப்பு பெயர் அமைக்கப்படவில்லை!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "கிடைமட்டமாக பிரிக்கவும்" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "செங்குத்து பிரிக்கவும்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "நீரகம்" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "எல்லியம்" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "மென்னியம்" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "பெரிலியம்" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "கார்மம்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "கரிமம்" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "தழைச்சத்து" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "உயிரகம், உயிர்வளி" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "ஃவுளூரின்" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "ஒளிரியம், புத்தொளிரி" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "உவர்மம்" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "வெளிமம்" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "அலுமினியம்" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "மண்ணியம்" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "பாச்பரச்" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "சல்பர்" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "பாசிகம்" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "இலியன்" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "சாம்பரம்" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "சுண்ணவியம்" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "ச்காண்டியம்" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "வெண்வெள்ளி" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "பழீயம்" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "நீலிரும்பு, குருமம்" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "மங்கனம்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "இரும்பு" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "மென்வெள்ளி" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "வன்வெள்ளி" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "செம்பு, செப்பு, தாமிரம்" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "நாகம்" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "மென்தங்கம்" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "சாம்பலியம்" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "பிறாக்காண்டம்" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "செங்கந்தகம், மதிமம்" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "நெடியம்" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "மறைவியம்" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "அரும்பியம், செவ்வரியம்" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "சிதறியம், வெண்ணிமம்" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "திகழியம், கருநரைமம்" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "வண்மம், வன்தங்கம்" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "அருமிமம், களங்கன்" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "மாலிப்டினம்" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "பசகன், செய்தனிமம்" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "சீர்பொன், சீர்தங்கம், உருத்தீனம்" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "அரத்தியம், திண்ணிமம்" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "வெண்ணிரும்பு" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "வெள்ளி" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "வெண்ணீலிமம், நீலீயம்" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "அவுரியம்" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "வெள்ளீயம்" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "கருநிமிளை" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "ஒளிர்மம், வெண்கந்தகம்" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "நைலம்" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "அணுகன்" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "வெண்ணிதள், சீரிலியம்" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "பாரவியம், பேரீயம், மங்கிமம்" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "மாய்மம், ஊக்கிமம்" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "சிற்றீயம், சீரீயம், கருவெள்ளி" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "குழைவெள்ளி, வெண்மஞ்சை" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "இரட்டியம், புதுமஞ்சை" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "அரிதியம், கதிர்மம்" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "சுடர்மம், வெண்நரைமம்" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "அரியவியம், சிறும்பொன், சிறுந்தங்கம்" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "காந்தவியம், காந்தனிமம்" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "தென்னிரும்பு, விளர்மம்" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "கலிழியம், உறிமம்" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "ஒளிமியம்" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "எல்லிரும்பு" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "துலங்கியம், வடமம்" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "எட்ர்பியம்" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "மிளிரியம், மஞ்சிமம்" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "அவிரியம்" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "டான்டலம்" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "மெல்லிழையம்" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "கரிவெள்ளி, அரிமம்" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "கருநீலீயம்" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "உறுதியம்" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "வெண்தங்கம்" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "தங்கம்" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "அறிவன்" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "தெள்ளீயம், சாம்பிமம்" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "ஈயம்" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "நிமிளை" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "அனலியம், மஞ்சளம்" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "தேய்தன், நொறுங்கிமம்" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "ஆரகன்" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "வெடியிதள்" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "கருகன்" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "கதிர்வினைமம், நீலமம்" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "இடியம்" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "புரோட்டாக்டினியம்" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "அடரியம்" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "நெருப்பியம், சேண்மிமம்" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "அயலாம்" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "அமரகம்" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "கியூியம்" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "விழுக்கலிழியம்" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "கலிழ்வெள்ளீயம்" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "ஈந்தியம்" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "வெளுகன்" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "மைந்தியம்" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "நறுங்கன்" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "உலரியம்" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "உருத்திரவியம், உருத்தரம்" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "துப்பினியம்" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "சிற்பியம்" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "புறவியம்" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "அசையன்" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "மறுவியம்" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "நொடியன்" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "உருத்தியம்" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "விழுச்செப்பு, விழுச்செம்பு, விழுத்தாமிரம்" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "நகுவியம்" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "விழுவெள்ளி" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "மிகுவியம், மிகைவியம்" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "இளவமியம்" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "திணிவியம்" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "உகுந்தியம்" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "உலாவுங்கள்" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "கோப்பைத் தேர்ந்தெடுக்கவும்:" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "இயங்கக்கூடியதைத் தேர்ந்தெடுக்கவும்:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "தேர்ந்தெடுக்கப்பட்ட கோப்பிற்கு பொருத்தமான கோப்பு வாசகனைக் கண்டுபிடிக்க முடியவில்லை." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "The கோப்பு extension is missing, so the வடிவம் cannot be determined. Do you " "want பெறுநர் கூட்டு it?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" "தேர்ந்தெடுக்கப்பட்ட வடிவமைப்பிற்கு பொருத்தமான கோப்பு எழுத்தாளரைக் கண்டுபிடிக்க முடியவில்லை." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "கையாளுபவர்கள்" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "கைப்பிடி" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "வாசகர்கள்" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "படிக்க" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "எழுத்தாளர்கள்" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "எழுதுங்கள்" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "இந்த வடிவத்தை %2 முடியும் என்று பல %1 கண்டறிந்தது. எது பயன்படுத்தப்பட வேண்டும்?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "அனைத்து கோப்புகள்" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "அனைத்து உதவி வடிவங்களும்" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "மூலக்கூறு பிரதிநிதித்துவத்தை வாசிப்பது பிழை: அங்கீகரிக்கப்படாத கோப்பு வடிவம்: %1" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "%1 செய்தி" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "சரம் மூலக்கூறு பிரதிநிதித்துவத்தை எழுதுவதில் பிழை: அங்கீகரிக்கப்படாத கோப்பு வடிவம்: %1" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "சரம் மூலக்கூறு பிரதிநிதித்துவத்தை எழுதுவது பிழை: %1" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "'பயனர் ஆப்சன்' காணவில்லை." #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "விருப்பம் '%1' ஒரு பொருளைக் குறிக்கவில்லை." #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'வகை' என்பது '%1' என்ற விருப்பத்திற்கான சரம் அல்ல." #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "'%1' என்ற விருப்பத்தைக் கண்டுபிடிக்க முடியவில்லை." #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "தாவல் %1" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "தலைப்பு" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "கோப்பு பெயர் அடிப்படை" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "செயலி கோர்கள்" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "கணக்கீட்டு வகை" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "கோட்பாடு" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "அடுக்களம்" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "மின்னூட்டு" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "பெருக்கல்" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "பிழை: மதிப்பு முக்கிய '%1' க்கு பொருளாக இருக்க வேண்டும்." #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "அங்கீகரிக்கப்படாத விருப்பம் '%2' விருப்பத்திற்கு '%1' வகை." #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "'%1' விருப்பத்திற்கு இயல்புநிலையை அமைத்தல். மோசமான விட்செட் வகை." #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "'%1' விருப்பத்திற்கு இயல்புநிலையை அமைத்தல். மோசமான இயல்புநிலை மதிப்பு:" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "'%1' விருப்பத்திற்கு இயல்புநிலையை அமைத்தல். மதிப்பிலிருந்து செல்லுபடியாகும் காம்போ " "நுழைவு குறியீட்டைக் கண்டுபிடிக்க முடியவில்லை:" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "'%1' என்ற விருப்பத்திற்கான சேகரிப்புகளில் சேர்க்கப்படாத விட்செட்." #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "[மூலக்கூறு இல்லை]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "அடுக்கு %1" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "பந்து மற்றும் குச்சி" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "கார்ட்டூன்கள்" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "தொடர்புகளை மூடு" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "படிக லட்டு" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "இருமுனைத் திருப்பம்" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "ஆற்றல்" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "சிட்டைகள்" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "லைகோரைச்" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "மெச்கள்" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "கோவலன்ட் அல்லாத" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "Qtaim" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "சமச்சீர் கூறுகள்" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "வான் டெர் வால்ச்" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "வயர்ஃப்ரேம்" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "தலைப்பிடப்படாத" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "புதிய பார்வையை உருவாக்கவும்" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "தனிம அட்டவணை" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "ச்கிரிப்டை இயக்கும் பிழை '%1%2': தொடக்கத்திற்காக காத்திருக்கும் நேரம் (%3)." #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "பிழை இயங்கும் ச்கிரிப்ட் ' %1 %2': stdin க்கு எழுதத் தவறிவிட்டது (LEN = %3, %4 " "பைட்டுகளை எழுதினார், QPROCESS பிழை: %5)." #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "'%1%2' ச்கிரிப்டை இயக்கும் பிழை: பூச்சுக்காக காத்திருக்கும் நேரம் (%3)." #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "பிழை இயங்கும் ச்கிரிப்ட் ' %1 %2': அசாதாரண வெளியேறும் நிலை %3 ( %4: %5)\n" "\n" " வெளியீடு:\n" " %6" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "எச்சரிக்கை '%1'" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "ச்கிரிப்ட் தொடங்கத் தவறிவிட்டது." #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "ச்கிரிப்ட் செயலிழந்தது." #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "ச்கிரிப்ட் நேரம் முடிந்தது." #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "பிழையைப் படியுங்கள்." #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "பிழையை எழுதுங்கள்." #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "தெரியாத பிழை." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "அடுக்குகளை மாற்றவும்" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "அடுக்கை அகற்று" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "அடுக்கு தகவலை அகற்று" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "அடுக்கு சேர்க்கவும்" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "அடுக்கு தகவலைச் சேர்க்கவும்" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "அடுக்கை மாற்றவும்" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "அணுவைச் சேர்க்கவும்" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "அணுவை அகற்று" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "அணுகுமுறைகளை அழிக்கவும்" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "ஐட்ரசன்களை சரிசெய்யவும்" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "கூறுகளை மாற்றவும்" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "உறுப்பு மாற்றவும்" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "அணு கலப்பினத்தை மாற்றவும்" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "அணு முறையான கட்டணத்தை மாற்றவும்" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "அணு நிறத்தை மாற்றவும்" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "அணு அடுக்கை மாற்றவும்" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "பிணைப்பைச் சேர்க்கவும்" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "அகற்றப்பட்ட பிணைப்பு" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "தெளிவான பிணைப்புகள்" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "பத்திர ஆர்டர்களை அமைக்கவும்" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "பத்திர வரிசையை மாற்றவும்" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "பத்திரங்களை புதுப்பிக்கவும்" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "பத்திரத்தைப் புதுப்பிக்கவும்" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "அலகு கலத்தைச் சேர்க்கவும்…" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "அலகு கலத்தை அகற்று" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "அலகு கலத்தைத் திருத்து" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "அணுக்களை கலத்திற்கு மடிக்கவும்" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "அளவிலான செல் தொகுதி" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "சூப்பர் கலத்தை உருவாக்குங்கள்" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "நிக்லி குறைப்பு" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "நிலையான நோக்குநிலைக்கு சுழற்றுங்கள்" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "பழமையானதாகக் குறைக்கவும்" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "வழக்கமான செல்" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "செல் சமச்சீர்" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "அலகு கலத்தை நிரப்பவும்" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "கலத்தை சமச்சீரற்ற அலகுக்கு குறைக்கவும்" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "அணு நிலைகளை மாற்றவும்" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "அணு நிலையை மாற்றவும்" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "ஆட்டம் லேபிளை மாற்றவும்" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "பத்திர லேபிளை மாற்றவும்" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "தேர்வை மாற்றவும்" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "மூலக்கூறு மாற்றவும்" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "அமைப்புகள்" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "ச்கிரிப்ட் %1 ஐ ஏற்ற முடியாது" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "பாதை %2 இல் %1 ச்கிரிப்ட்களை சரிபார்க்கிறது" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3DMOL உஉகுமொ தொகுதி." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "கோப்பு (&f)" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "& ஏற்றுமதி" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "Threedmol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "கூறுகளை மாற்றவும்…" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "& உருவாக்க" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "உறுப்பு:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "ரசவாதம்" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "அணுக்களின் கூறுகளை மாற்றவும்." #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "சீரமைத்தல்" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" "மூலக்கூறுகளை சீரமைக்கவும்\n" "\n" " இடது சுட்டி: இரண்டு அணுக்கள் வரை தேர்ந்தெடுக்கவும்.\n" " முதல் அணு தோற்றத்தை மையமாகக் கொண்டுள்ளது.\n" " இரண்டாவது அணு தேர்ந்தெடுக்கப்பட்ட அச்சுடன் சீரமைக்கப்பட்டுள்ளது.\n" " வலது சுட்டி: சீரமைப்பை மீட்டமை.\n" " இருமுறை சொடுக்கு செய்யவும்: அணுவை தோற்றத்தில் மையப்படுத்தவும்." #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "அச்சு:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "தோற்றத்தில் சீரமைக்கவும்" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "அச்சுக்கு சீரமைக்கவும்" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "அணுவை தோற்றத்தில் மையப்படுத்தவும்." #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "அணுவை குறிப்பிட்ட அச்சுக்கு சீரமைக்க மூலக்கூறை சுழற்றுங்கள்." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "கருவி" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "மூலக்கூறுகளை ஒரு கார்ட்டீசியன் அச்சுக்கு சீரமைக்கவும்" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "APBS ஐ இயக்கவும்…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "திறந்த வெளியீட்டு கோப்பு…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "& உள்ளீடு" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "& Apbs" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "வெளியீட்டு கோப்பைத் திறக்கவும்" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "Opendx கோப்பு (*.dx)" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "நான் பிழை" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "கட்டமைப்பு கோப்பை வாசிப்பது பிழை (%1)." #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "Opendx பிழை" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Opendx கோப்பைப் படிப்பது பிழை: %1" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "Opendx கோப்பைப் படிப்பது பிழை: கியூப் எதுவும் கிடைக்கவில்லை" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "Apbs" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "APBS பயன்பாடுகளுடன் தொடர்பு கொள்ளுங்கள்." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "PDB கோப்பைத் திறக்கவும்" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB கோப்புகள் (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "PQR கோப்பைத் திறக்கவும்" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR கோப்புகள் (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "பிழை" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "APB களை இயக்கும் பிழை: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "PDB கோப்பைக் குறிப்பிடவும்" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "APBS உள்ளீட்டு கோப்பை சேமிக்கவும்" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "APBS உள்ளீடு (*.in)" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "செய்" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "உள்ளீட்டு கோப்பு '%1' க்கு எழுதப்பட்டது" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "தனிப்பயன் வண்ணத்தால்…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "அணு குறியீட்டால்…" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "தூரம்…" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "உறுப்பு மூலம்" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "சங்கிலி மூலம்" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "பகுதி கட்டணத்தால்…" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "இரண்டாம் நிலை அமைப்பு மூலம்" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "அமினோ அமிலத்தால்" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "செப்பிளி திட்டத்தால்" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "பேசுங்கள்" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "வெப்பம்" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "சூடான" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "சாம்பல்" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "கற்குழம்பு" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "இன்ஃபெர்னோ" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "மின்மம்" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "விரிடிச்" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "சிடிச்" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "நிறமாலை" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "கூல்வார்ம்" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "இருப்பு" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "நீலம்-இருண்ட" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "டர்போ" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "அணுக்கள் மற்றும் எச்சங்களுக்கு வண்ணத் திட்டங்களைப் பயன்படுத்துங்கள்." #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "காண்க (&v)" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "வண்ண அணுக்கள்" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "வண்ண எச்சங்கள்" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "COLORMAP ஐத் தேர்ந்தெடுக்கவும்" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "COLORMAP:" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "விண்ணப்பிப்பொருட்களைப் பயன்படுத்துங்கள்" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "அணு அளவு" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "பத்திர அளவு" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "ஒளிபுகாநிலை" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "பல பிணைப்புகளைக் காட்டு" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "ஐட்ரசன்களைக் காட்டு" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "அணுக்களை கோளங்களாகவும் பிணைப்புகளாகவும் சிலிண்டர்களாக வழங்கவும்." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "பத்திரத்தை மையமாகக் கொண்ட கையாளுதல்" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "பத்திர மைய கையாளுதல் கருவி (%1)\n" "\n" " இடது சுட்டி: காட்சியை சுழற்ற சொடுக்கு செய்து இழுக்கவும்.\n" " நடுத்தர சுட்டி: சொடுக்கு செய்து பெரிதாக்கவும் அல்லது வெளியே இழுக்கவும்.\n" " வலது சுட்டி: காட்சியை நகர்த்த சொடுக்கு செய்து இழுக்கவும்.\n" " இருமுறை சொடுக்கு செய்யவும்: பார்வையை மீட்டமைக்கவும்.\n" "\n" " கையாளுதல் விமானத்தை அமைக்க ஒரு பத்திரத்தில் இடது சொடுக்கு & இழுக்கவும்:\n" " கோணத்தை மாற்ற பிணைப்பில் உள்ள அணுக்களில் ஒன்றை இடது சொடுக்கு செய்து இழுக்கவும்\n" " வலது சொடுக்கு செய்து நீளத்தை மாற்ற பிணைப்பில் உள்ள அணுக்களில் ஒன்றை இழுக்கவும்" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "%L1 °" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "%எல் 1 முதல்" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "பத்திர மைய கையாளுதல் கருவி." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "பிணைப்பு நீளம் மற்றும் கோணங்களை மாற்றுவதன் மூலம் மூலக்கூறு வடிவவியலைத் திருத்த பயன்படும் " "கருவி." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "பிணைப்பு அணுக்கள்" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "பத்திர ஆர்டர்களை உணருங்கள்" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "பத்திரங்களை அகற்று" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "பிணைப்பை உள்ளமைக்கவும்…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "பிணைப்பு தேர்ந்தெடுக்கப்பட்ட அணுக்கள்" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "கடனீடு" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "எல்லா அல்லது தேர்ந்தெடுக்கப்பட்ட அணுக்களிலிருந்தும் பிணைப்புகளை அகற்றவும்." #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "அனைத்து அல்லது தேர்ந்தெடுக்கப்பட்ட அணுக்களுக்கிடையில் பிணைப்புகளை உருவாக்கவும்." #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "பத்திர ஆர்டர்களை உணருங்கள்." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "பிணைப்பு" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "பிணைப்பு நடவடிக்கைகளைச் செய்யுங்கள்." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "முதுகெலும்பு" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "சுவடு" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "தூம்பு" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "ரிப்பன்" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "எளிய கார்ட்டூன்" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "கார்ட்டூன்" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "கயிறு" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "உயிர் மூலக்கூறு ரிப்பன்கள் / கார்ட்டூன்களின் காட்சி." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "சென்ட்ராய்டு சேர்க்கவும்" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "வெகுசன மையத்தைச் சேர்க்கவும்" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "செங்குத்தாக சேர்க்கவும்" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "சென்ட்ராய்டு" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "சென்ட்ராய்டுகள் மற்றும் சென்டர்-ஆஃப்-வெகுசன சேர்க்கவும்." #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " பெறுநர்" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "அதிகபட்ச தூரம்:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "வரி அகலம்:" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "அணுக்களுக்கு இடையில் நெருக்கமான தொடர்புகளை வழங்கவும்." #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "தொடர்பு" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "உப்பு பாலம்" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "விரட்டுதல்" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "வண்ண ஒளிபுகா வரைபடத்தைத் திருத்தவும்…" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "நீட்டிப்புகள்" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "Coloropacitymap" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "வண்ண ஒளிபுகா வரைபடங்களைத் திருத்தவும், முதன்மையாக தொகுதி வழங்குதல்." #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "ச்கிரிப்ட்கள்" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "வெளியீட்டு கோப்பை '%1' வாசிப்பதில் பிழை:\n" " %2" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "செயலாக்கம் %1" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "பைதான் மொழிபெயர்ப்பாளருக்கு பாதையை அமைக்கவும்:" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "வெளிப்புற ச்கிரிப்ட்களை இயக்க பைதான் மொழிபெயர்ப்பாளரைத் தேர்ந்தெடுக்கவும்.\n" " ஏதேனும் மாற்றங்கள் நடைமுறைக்கு வர அவோகாட்ரோ மறுதொடக்கம் செய்யப்பட வேண்டும்." #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "கட்டளை ச்கிரிப்ட்கள்" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "வெளிப்புற ச்கிரிப்ட் கட்டளைகளை இயக்கவும்" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "பைதான் அமைப்புகள்…" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "பைத்தானை நிறுவவும்" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "பல அவோகாட்ரோ அம்சங்களுக்கு பைதான் பயன்படுத்தப்படுகிறது. பைத்தானை பதிவிறக்கம் செய்ய " "விரும்புகிறீர்களா?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "Configurepython" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "பைதான் சூழல்களை உள்ளமைக்கவும்." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "மற்றொன்று…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "அணு மற்றும் ஒருங்கிணைப்பு எடிட்டர்…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "ஒருங்கிணைப்பு ஆசிரியர்" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "அணு ஒருங்கிணைப்புகளின் உரை திருத்துதல்." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "மாற்றங்களை மேலெழுதவா?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "உரை ஆவணம் மாற்றியமைக்கப்பட்டுள்ளது. உங்கள் மாற்றங்களை நிராகரித்து தற்போதைய மூலக்கூறுக்கு " "திரும்ப விரும்புகிறீர்களா?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "வரியில் மிகக் குறைவான உள்ளீடுகள்." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "தவறான உறுப்பு பெயர்." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "உறுப்பு பெயர்." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "தவறான உறுப்பு அடையாளம்." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "உறுப்பு அடையாளம்." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "தவறான அணு சிட்டை." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "தவறான அணு அட்டவணை." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "அணு அட்டவணை." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "தவறான அணு எண்." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "அணு எண்." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "தவறான ஒருங்கிணைப்பு." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "ஃச் ஒருங்கிணைப்பு." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "ஒய் ஒருங்கிணைப்பு." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "சட் ஒருங்கிணைப்பு." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'ஒரு' லட்டு ஒருங்கிணைப்பு." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'பி' லட்டு ஒருங்கிணைப்பு." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'சி' லட்டு ஒருங்கிணைப்பு." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "வடிவவியலைப் பயன்படுத்துவதில் பிழை" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "வடிவியல் விவரக்குறிப்பை அலச முடியவில்லை. சிறப்பிக்கப்பட்ட பிழைகளை சரிசெய்து மீண்டும் " "முயற்சிக்கவும்.\n" "\n" " (குறிப்பு: பிழையின் விளக்கத்திற்கு சிவப்பு உரைக்கு மேல் சுட்டியைப் பிடித்துக் கொள்ளுங்கள்.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "அணு ஒருங்கிணைப்புகளைத் திருத்தவும்" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "தனிப்பயன்" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ வடிவம் (சின்னங்கள்)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ வடிவம் (பெயர்கள்)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ வடிவம் (அணு எண்கள்)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "லட்டு ஆயத்தொலைவுகள்" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "லட்டு ஆயத்தொலைவுகள்" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "லட்டு ஆயத்தொலைவுகள் (அணு எண்கள்)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "கேமச் வடிவம் (சின்னங்கள்)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "கேமச் வடிவம் (பெயர்கள்)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "டர்போமோல் வடிவம்" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "நகலெடு" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "புன்னகை" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "அங்குலங்கள்" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "வெட்டு" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "தெளிவான" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "ஒட்டு (&p)" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "திருத்து (&e)" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "என நகலெடுக்கவும்" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "பிழை கிளிப்பிங் மூலக்கூறு" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "கிளிப்போர்டு தரவை உருவாக்குவதில் பிழை." #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "வெளியீட்டு வடிவம்: %1\n" " %2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "வாசகர் பிழை:\n" " %1" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "பிழை ஒட்டுதல் மூலக்கூறு" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "மூலக்கூறு ஒட்ட முடியாது: கிளிப்போர்டு காலியாக உள்ளது!" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "கிளிப்போர்டு தரவைப் படிப்பதில் பிழை." #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "கண்டறியப்பட்ட வடிவம்: %1\n" " %2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "நகலெடுத்து ஒட்டவும்" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "கிளிப்போர்டுடன் தொடர்பு கொள்ளுங்கள்." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "& சிபி 2 கே…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "சிபி 2 கே உள்ளீடு" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "CP2K க்கு உள்ளீட்டை உருவாக்கவும்." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "ஆற்றல்" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "ஆற்றல் மற்றும் சக்திகள்" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "மூலக்கூறு இயக்கவியல்" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "வடிவியல் தேர்வுமுறை" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "மின்னணு கட்டமைப்பு முறைகள் (டி.எஃப்.டி)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "மூலக்கூறு இயக்கவியல்" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "கலப்பின குவாண்டம் பாரம்பரிய (இன்னும் ஆதரிக்கப்படவில்லை)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "எவால்ட்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "எதுவுமில்லை" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "Pme" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "Spme" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "அணு" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "வயிரம்" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "அடர்த்தி" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "History_Restart" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "மோபாக்" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "சீரற்ற" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "மறுதொடக்கம்" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "சிதறல்" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "பிராய்டன்" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "இணை சாய்வு" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "கடவுள்கள்" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "செங்குத்தான வம்சாவளி" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "உள்ளீட்டு கோப்பு மாற்றியமைக்கப்பட்டுள்ளது. புதிய வடிவியல் அல்லது வேலை விருப்பங்களை " "பிரதிபலிக்க உங்கள் மாற்றங்களை மேலெழுத விரும்புகிறீர்களா?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "மாற்றியமைக்கப்பட்ட உள்ளீட்டு கோப்பை மேலெழுதவா?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "CP2K உள்ளீட்டு கோப்பை சேமிக்கவும்" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "CP2K கணக்கீட்டை சமர்ப்பிக்கவும்" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "கிளிப்போர்டிலிருந்து படிகத்தை இறக்குமதி செய்யுங்கள்…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "அலகு கலத்தை மாற்றவும்" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "அலகு கலத்தைத் திருத்து…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "& அலகு கலத்திற்கு அணுக்களை மடக்கு" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "நிலையான மற்றும் நோக்குநிலைக்கு சுழற்றுங்கள்" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "அளவிலான செல் & தொகுதி…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "உருவாக்க & சூப்பர்செல்…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "கலத்தைக் குறைக்கவும் (& niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "& படிக" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "அலகு கலத்தை அகற்று" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "சேர் & யூனிட் செல்" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "கிளிப்போர்டிலிருந்து படிகத்தை இறக்குமதி செய்யுங்கள்" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "அலகு கலத்தில் அணுக்களை மடிக்கவும்." #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "அலகு கலத்தை நிலையான நோக்குநிலைக்கு சுழற்றுங்கள்." #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "நிக்லி படிகத்தைக் குறைக்கிறார்" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "யூனிட் செல் ஏற்கனவே குறைக்கப்பட்டுள்ளது." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "படிகம்" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "படிக-குறிப்பிட்ட எடிட்டிங்/பகுப்பாய்விற்கான கருவிகள்." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "வண்ண அச்சுகள்:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "வரி நிறம்:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "அலகு செல் எல்லைகளை வழங்கவும்." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "உரையை அலச முடியாது" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "வழங்கப்பட்ட வடிவத்துடன் தரவைப் படிக்கத் தவறிவிட்டது." #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "யூனிட் செல் இல்லை." #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "மறுசீரமைத்தல் & தனிப்பயன் கூறுகள்…" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "தற்போதைய மூலக்கூறில் தனிப்பயன் உறுப்பு வகைகளை கையாளவும்." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "தனிப்பயன் கூறுகள்" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "மூலக்கூறின் இருமுனை தருணத்தை வழங்கவும்." #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "டிரா" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" "டிரா கருவி (%1)\n" "\n" " இடது சுட்டி: அணுக்கள் மற்றும் பிணைப்பை உருவாக்க சொடுக்கு செய்து இழுக்கவும்\n" " வலது சுட்டி: அணுவை நீக்கு" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "அணுவை வரைய" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "பிணைப்பு வகையை மாற்றவும்" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "பிணைப்பை அகற்று" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "தூரம்:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "1 %இல்லை" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "ஆசிரியர் கருவி" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "தானியங்கி" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "ஒற்றை" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "இரட்டை" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "மும்மை" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "& இறக்குமதி" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "PDB ஐப் பெறுங்கள்" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "PDB மூலக்கூறைப் படிக்க முடியவில்லை: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "பி.டி.பி குறியீடு" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "பதிவிறக்க வேதியியல் அமைப்பு." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "தவறான PDB குறியீடு" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "PDB குறியீடு சரியாக 4 எழுத்துக்கள் நீளமாக இருக்க வேண்டும்." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "PDB குறியீட்டின் முதல் எழுத்து 1-9 ஆக இருக்க வேண்டும்." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "%1 க்கு வினவல்" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "பிணையம் பதிவிறக்கம் தோல்வியடைந்தது" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "பிணைய நேரம் முடிந்தது அல்லது பிற பிழை." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "குறிப்பிட்ட மூலக்கூறைக் கண்டுபிடிக்க முடியவில்லை: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "PDB இலிருந்து பெறுங்கள்" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "புரத தரவு வங்கியில் இருந்து PDB மாதிரிகளைப் பதிவிறக்கவும்" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "கவனம் தேர்வு" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "ஐச்போகச்" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "குவி" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "குறிப்பிட்ட அம்சங்களில் பார்வையில் கவனம் செலுத்துங்கள்." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "மூலக்கூறின் அணுக்களுக்கான படை புலம் காட்சிப்படுத்தல்களை வழங்கவும்." #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "வடிவவியலை மேம்படுத்தவும்" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "படைகள்" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "உள்ளமைக்கவும்…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "தேர்ந்தெடுக்கப்பட்ட அணுக்களை முடக்கம்" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "உறைந்த தேர்ந்தெடுக்கப்பட்ட அணுக்கள்" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "& கணக்கிடுங்கள்" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "அவோகாட்ரோ" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "தேர்வுமுறைக்கு அணுக்கள் எதுவும் வழங்கப்படவில்லை" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 ஆற்றல் = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 படை விதிமுறை = %L2" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "ஃபோர்ச்ஃபீல்ட் தேர்வுமுறை" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "ஃபோர்ச்ஃபீல்ட் குறைத்தல், ச்கிரிப்ட்கள் உட்பட" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "தன்னியக்க (%1)" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "யுனிவர்சல் ஃபோர்ச் புலம்" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "பொதுவான அம்பர் படை புலம்" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "மெர்க் மூலக்கூறு படை புலம் 94" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "எரிசக்தி ச்கிரிப்டுக்கான மெட்டாடேட்டாவை மீட்டெடுப்பதில் பிழை: %1" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "எரிசக்தி ச்கிரிப்டுக்கு மெட்டாடேட்டாவை பாகுபடுத்தும் பிழை: %1" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" "எரிசக்தி ச்கிரிப்டுக்கு மெட்டாடேட்டாவை பாகுபடுத்தும் பிழை: %1\n" " முடிவு ஒரு சாதொபொகு பொருள் அல்ல.\n" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "& கேமச்…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "கேமச் உள்ளீடு" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "கேமசுக்கு உள்ளீட்டை உருவாக்குங்கள்." #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "ஒற்றை புள்ளி" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "சமநிலை வடிவியல்" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "மாற்றம் நிலை" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "அலைவெண்கள்" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "மைய சாத்தியம்" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "வளிமம்" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "நீர்" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "சிங்கிள்" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "இரட்டிப்பாகும்" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "மும்மடங்கு" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "வாய்சொல்" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "கேசன்" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "நடுநிலை" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "நேர்மின்னூட்டணு" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "டயானியன்" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "கேமச் உள்ளீட்டு கோப்பை சேமிக்கவும்" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "கேமச் கணக்கீட்டை சமர்ப்பிக்கவும்" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "& ஐட்ரசன்களை சரிசெய்யவும்" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "ஐட்ரசன்களைச் சேர்க்கவும்" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "கூடுதல் ஐட்ரசனை அகற்றவும்" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "அனைத்து ஐட்ரசன்களையும் அகற்றவும்" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "தற்போதைய மூலக்கூறிலிருந்து ஐட்ரசன்களைச் சேர்க்கவும்/அகற்றவும்." #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "& ஐட்ரசன்கள்" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "ஐட்ரசன்கள்" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "& PQR ஐத் தேடுங்கள்…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "PQR இலிருந்து இறக்குமதி" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "PQR இலிருந்து ஒரு மூலக்கூறைப் பதிவிறக்கவும்." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "டி.என்.ஏ/ஆர்.என்.ஏ…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "& செருகவும்" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "டி.என்.ஏ/ஆர்.என்.ஏவைச் செருகவும்…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "உ" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "யுரேசில்" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "டி" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "தைமின்" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "மூலக்கூறு செருகவும்…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "3D மூலக்கூறு உருவாக்குகிறது…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "செருகல்" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "டி.என்.ஏ / ஆர்.என்.ஏ துண்டுகளை ஒரு உரையாடல் மூலம் செருகவும்." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "மூலக்கூறு…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "படிக…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "கோப்பைப் படிப்பதில் பிழை (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "படிக இறக்குமதி" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "துண்டு செருகவும்" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "இன்செர்ட்ஃப்ராக்மென்ட்" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "பெரிய மூலக்கூறுகளை உருவாக்குவதற்கு மூலக்கூறு துண்டுகளை செருகவும்." #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "வண்ணம்:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "மையத்திலிருந்து தூரம்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "எதுவுமில்லை" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "குறியெண்" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "தனித்துவமான ஐடி" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "தனிமம்" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "உறுப்பு & எண்" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "உறுப்பு & ஐடி" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "பகுதி கட்டணம்" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "அணு லேபிள்:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "நீளம்" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "பிணைப்பு லேபிள்:" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "ஐடி" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "பெயர்" #: qtplugins/label/label.cpp:236 msgid " & " msgstr " & " #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "எச்ச லேபிள்:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "பந்து மற்றும் குச்சி பாணியில் லேபிள்களைக் காண்பி." #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "லேபிள்களைத் திருத்து" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" "ஆட்டம் சிட்டை கருவி (%1)\n" "\n" " இடது சுட்டி: தனிப்பயன் லேபிள்களைச் சேர்க்க அணுக்களைக் சொடுக்கு செய்க" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "லேபிளை உருவாக்கவும்" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "சிட்டை எடிட்டர் கருவி" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "& லாம்ச்…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPS உள்ளீடு" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "LAMMPS க்கான உள்ளீட்டை உருவாக்குங்கள்." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "LAMMPS உள்ளீட்டு டெக் முன்னோட்ட பலகத்தில் செய்யப்பட்ட அனைத்து மாற்றங்களையும் இழந்து முன்னோட்ட " "உரையை புதுப்பிக்க விரும்புகிறீர்களா?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "ஒளிபுகாநிலை:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "அணுக்களை லைகோரைச் / குச்சிகளாக வழங்கவும்." #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "புன்னகை…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "அங்குலம்…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "விளக்கங்கள் எதுவும் கிடைக்கவில்லை!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "வரி வடிவமைப்பு வாசகர்கள் எதுவும் கிடைக்கவில்லை!" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "கோரப்பட்ட வடிவமைப்பு வாசகரை ஏற்ற முடியவில்லை." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "LINEFORMATINPUT" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "உள்ளீட்டு உரையாடல் மூலம் ஒற்றை வரி மூலக்கூறு விளக்கங்களை ஏற்றவும்." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "கையாளுதல்" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" "கையாளுதல் கருவி (%1)\n" "\n" " இடது சுட்டி: சொடுக்கு செய்து அணுகுகளை நகர்த்த இழுக்கவும்\n" " வலது சுட்டி: அணுக்களைச் சுழற்ற சொடுக்கு செய்து இழுக்கவும்.\n" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "கருவி கையாளுதல்" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "அளவீடு" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" "அளவீட்டு கருவி (%1)\n" "\n" " இடது சுட்டி: நான்கு அணுக்கள் வரை தேர்ந்தெடுக்கவும்.\n" " 1-2 முதல் 2-3 வரை தூரங்கள் அளவிடப்படுகின்றன\n" " பொதுவான புள்ளியாக 2 ஐப் பயன்படுத்தி 1-3 க்கு இடையில் கோணம் அளவிடப்படுகிறது\n" " டிஎட்ரல் 1-2-3-4 க்கு இடையில் அளவிடப்படுகிறது\n" " வலது சுட்டி: அளவீடுகளை மீட்டமைக்கவும்." #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "டைஎட்ரல்:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "கோணம்:" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "கோணங்கள்:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "அளவீட்டு கருவி" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "பலகோண மெச்களை வழங்கவும்." #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(நிலுவையில் உள்ளது)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "அறியப்படாத மூலக்கூறு" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "சொத்து" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "மூலக்கூறு பெயர்" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "மூலக்கூறு நிறை (g/mol)" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "வேதியியல் தேற்றம்" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "அணுக்களின் எண்ணிக்கை" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "பத்திரங்களின் எண்ணிக்கை" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "ஒருங்கிணைப்பு தொகுப்புகள்" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "எச்சங்களின் எண்ணிக்கை" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "சங்கிலிகளின் எண்ணிக்கை" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "நிகர கட்டணம்" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "நிகர சுழல் பெருக்கம்" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "இருமுனை கணம் (டெபி)" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "ஓமோ எனர்சி (ஈ.வி)" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "லுமோ எனர்சி (ஈ.வி)" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "சோமோ ஆற்றல் (ஈ.வி)" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "மொத்த ஆற்றல் (ஆர்ட்ரீ)" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "சுழிய புள்ளி ஆற்றல் (கிலோகலோரி/மோல்)" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "என்டல்பி (கிலோகலோரி/மோல்)" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "என்ட்ரோபி (கிலோகலோரி/மோல் • கே)" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "கிப்ச் இலவச ஆற்றல் (கிலோகலோரி/மோல்)" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "புள்ளி குழு" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "& மூலக்கூறு…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "ஒரு மூலக்கூறின் பொதுவான பண்புகளைக் காண்க." #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "& பகுப்பாய்வு" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "& பண்புகள்" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "மூலக்கூறு பண்புகள்" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "மூலக்கூறு பண்புகள்" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "காபிம ஏற்றுமதி" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "காபிம கோப்புகள் (*.csv) ;; அனைத்து கோப்புகளும் (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "எழுதுவதற்கு கோப்பைத் திறக்க முடியவில்லை." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "கோப்பில் எழுதுவதில் பிழை." #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "ஏற்றுமதி…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "செல்லவும்" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" "வழிசெலுத்தல் கருவி (%1)\n" "\n" " இடது சுட்டி: காட்சியை சுழற்ற சொடுக்கு செய்து இழுக்கவும்.\n" " நடுத்தர சுட்டி: சொடுக்கு செய்து பெரிதாக்கவும் அல்லது வெளியே இழுக்கவும்.\n" " வலது சுட்டி: காட்சியை நகர்த்த சொடுக்கு செய்து இழுக்கவும்.\n" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "ஃச், ஒய், அல்லது சட் அச்சுகளுடன் காட்சியை சுழற்றுங்கள்." #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "காட்சியை பெரிதாக்கவும்." #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "காட்சியை மொழிபெயர்க்கவும்." #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "சுருளில் பெரிதாக்கத்தின் தலைகீழ் திசை" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" "இயல்புநிலை: சுருங்கவும், சூம் வரை உருட்டவும்\n" " தலைகீழ்: சுருங்கவும், பெரிதாக்க கீழே உருட்டவும்" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "கருவி செல்லவும்" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "வேதியியல் பெயர்" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "பிணைய தரவுத்தளங்கள்" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "நிகழ்நிலை தரவுத்தளங்கள், வினவல் கட்டமைப்புகள் போன்றவற்றுடன் தொடர்பு கொள்ளுங்கள்." #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "கோண சகிப்புத்தன்மை:" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "கோவலன்ட் அல்லாத சில தொடர்புகளை வழங்கவும்." #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "உப்பீனி" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "சால்கோசன்" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "படை புலத்தை உள்ளமைக்கவும்…" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "இணங்குபவர் தேடல்…" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "பத்திரங்களை உணருங்கள்" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "PH க்கு ஐட்ரசன்களைச் சேர்க்கவும்…" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "ஐட்ரசன்களை அகற்று" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1 கண்டுபிடிக்கப்படவில்லை! திறந்த பாபல் சொருகி செயல்களை முடக்குதல்." #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "& திறந்த பாபல்" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "திறந்த பாபல் கோப்பு வடிவங்கள் சேர்க்க தயாராக இல்லை." #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "திறந்த பாபலில் இருந்து மூலக்கூறு ஏற்றுகிறது…" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "ஒரு உள் பிழை ஏற்பட்டது: OpenBabel :: ReadMolocule அழைக்கப்படுகிறது, ஆனால் அலசுக்கு " "ஒபாபெல் வெளியீடு எதுவும் கிடைக்கவில்லை!" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "திறந்த பாபலை (%1) இயக்கும் போது பிழை ஏற்பட்டது." #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "ஓபன் பேபல் வெளியீட்டை பாகுபடுத்துகிறது." #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "ஆதரிக்கப்பட்ட ஃபோர்ச்ஃபீல்டுகளின் பட்டியலை மீட்டெடுக்கும் போது பிழை ஏற்பட்டது. ('%1' ஐப் " "பயன்படுத்துதல்)." #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "மூலக்கூறு தவறானது. வடிவவியலை மேம்படுத்த முடியாது." #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "திறந்த பாபலுடன் வடிவவியலை மேம்படுத்த முடியாது." #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "வடிவவியலை மேம்படுத்துதல் (திறந்த பாபல்)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "உருவாக்குதல்…" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "தற்போதைய மூலக்கூறின் திறந்த பாபல் பிரதிநிதித்துவத்தை உருவாக்கும் போது உள் பிழை ஏற்பட்டது." #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "தொடங்கி %1…" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "%2 இன் படி %1\n" " தற்போதைய ஆற்றல்: %3\n" " DE: %4" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "மூலக்கூறைப் புதுப்பித்தல்…" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "திறந்த பாபல் வெளியீட்டை விளக்குவதில் பிழை." #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "OBABEL வெளியீட்டில் உள்ள அணுக்களின் எண்ணிக்கை (%1) அசல் மூலக்கூறில் (%2) அணுக்களின் " "எண்ணிக்கையுடன் பொருந்தவில்லை." #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "மூலக்கூறு தவறானது. கன்ஃபார்மர்களை உருவாக்க முடியாது." #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "திறந்த பாபலுடன் கன்ஃபார்மர்களை உருவாக்க முடியாது." #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "இணங்குபவர்களை உருவாக்குதல் (திறந்த பாபல்)" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "இணங்குபவர்களை உருவாக்குங்கள்" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "திறந்த பாபலுடன் கோப்பைத் திறக்க முடியாது." #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "தவறான மூலக்கூறு: பிணைப்புகளை உணர முடியாது." #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "பிணைப்புகளை உணரும் (திறந்த பாபல்)" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "XYZ பிரதிநிதித்துவத்தை உருவாக்குதல்…" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "XYZ சரம் உருவாக்கும் பிழை." #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "%1 உடன் பாபலை திறக்க XYZ ஐ மாற்றுவது…" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "திறந்த பாபலில் இருந்து மூலக்கூறைப் புதுப்பித்தல்…" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "திறந்த பாபலுடன் ஐட்ரசன்களைச் சேர்க்க முடியாது." #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "ஐட்ரசன்களைச் சேர்ப்பது (திறந்த பாபல்)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "திறந்த பாபல் உள்ளீட்டை உருவாக்குதல்…" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "திறந்த பாபல் உள்ளீட்டை உருவாக்கும் பிழை." #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "இயங்கும் %1…" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "PH க்கு ஐட்ரசன்களைச் சேர்க்கவும்" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "ph:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "ஒபாபல் உள்ளீட்டை உருவாக்குதல்…" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "திறந்த பாபல் மூலம் ஐட்ரசன்களை அகற்ற முடியாது." #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "ஐட்ரசன்களை அகற்றுதல் (திறந்த பாபல்)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "திறந்த பாபல் தரவை உருவாக்கும் பிழை." #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "OBABEL வெளியீட்டைப் படித்தல்…" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "ஏற்கனவே திறந்த பாபலை இயக்குகிறது. மற்ற செயல்பாடு முடிவடையும் வரை காத்திருந்து மீண்டும் " "முயற்சிக்கவும்." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "கூட்டம்" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "ஓபன் பேபல் பயன்பாடுகளுடன் தொடர்பு கொள்ளுங்கள்." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "& Openmm ச்கிரிப்ட்…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMM உள்ளீடு" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "OpenMM க்கான உள்ளீட்டை உருவாக்கவும்." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "ஓபன்எம்எம் உள்ளீட்டு டெக் முன்னோட்ட பலகத்தில் செய்யப்பட்ட அனைத்து மாற்றங்களையும் இழந்து முன்னோட்ட " "உரையை புதுப்பிக்க விரும்புகிறீர்களா?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "இன்ச்ர்டு" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "க்ரோ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "Input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "பி.டி.பி." #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "பிர்ம்டாப்" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "மேலே" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "உண்மை" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "குறிப்பு அச்சுகள்" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "குறிப்பு அச்சுகள் மேலடுக்கு" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "காட்சியின் மூலையில் குறிப்பு அச்சுகளை வழங்கவும்." #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "வீரர்" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "அனிமேசன் கருவி (%1)" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "விளையாடுங்கள்" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "நிறுத்து" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "பிரேம் வீதம்:" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr " Fps" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "சட்டகம்:" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " %0" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "மாறும் பிணைப்பு?" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "பதிவு திரைப்படம்…" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "திரைப்படம் (*.mp4)" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "பிட்மேப் கிராபிக்ச் ஏற்றுமதி" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "திரைப்படம் (*.mp4) ;; திரைப்படம் (*.avi) ;; gif (*.gif)" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "Gif (*.gif)" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "GIF FPS உதவி எச்சரிக்கையை ஆதரிக்கிறது" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "GIF கோப்பு வடிவம் 100 FPS க்கு மேல் பிரேம் விகிதங்களை ஆதரிக்காது." #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "திரைப்படம் (*.வி)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "பிழை: வீடியோவில் சட்டத்தை சேர்க்க முடியாது." #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "கோப்பு %1 ஐ சேமிக்க முடியாது." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "பிளேயர் கருவி" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "மீண்டும் பாதைகளை விளையாடுங்கள்" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "சூழ்ச்சி இணை விநியோக செயல்பாடு…" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "PDF வடிவத்தை உருவாக்கத் தவறிவிட்டது" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "பிழை செய்தி: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "Poutpdf" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "ஒரு இணை விநியோக செயல்பாட்டு வளைவை உருவாக்கி திட்டமிடுங்கள்." #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "சூழ்ச்சி RMSD வளைவு…" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "Plotrmsd" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "ஒரு RMSD வளைவை உருவாக்கி திட்டமிடுங்கள்." #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "சூழ்ச்சி கோட்பாட்டு எக்ச்ஆர்டி முறை…" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "எக்ச்ஆர்டி வடிவத்தை உருவாக்கத் தவறிவிட்டது" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "மூலக்கூறு CIF வடிவத்திற்கு மாற்றுவதில் தோல்வி." #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Genxrdpattern இலிருந்து படித்த தரவு ஊழல் நிறைந்ததாகத் தெரிகிறது!" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "பிழை: genxrdpattern இயங்கக்கூடியதாக கண்டுபிடிக்க முடியவில்லை!" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "பிழை: " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "Poutxrd" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" "ObjCryst ++ ஐப் பயன்படுத்தி ஒரு தத்துவார்த்த எக்ச்ஆர்டி வடிவத்தை உருவாக்கி திட்டமிடுங்கள்." #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "புதுப்பிப்பு" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "பதிப்பு" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "விவரம்" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "சொருகி தரவை பதிவிறக்குவதில் பிழை." #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "சொருகி தரவை பாகுபடுத்துவதில் பிழை." #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "இந்த சொருகி சில தொகுப்புகளை நிறுவ வேண்டும்.\n" " அவற்றை நிறுவ விரும்புகிறீர்களா?" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "எப்போதும்" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "ஒருபோதும்" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "%1 இலிருந்து பதிவிறக்கம் செய்யத் தவறிவிட்டது: நிலை குறியீடு %2, %3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "%1 முதல் %2 வரை பதிவிறக்குகிறது\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "%1 முதல் %2 வரை பிரித்தெடுக்கிறது\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "%1 கோப்புகள் முடிந்தது\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "பிரித்தெடுத்தல் வெற்றிகரமாக\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "பிரித்தெடுக்கும் போது பிழை: %1" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "செருகுநிரல்களைப் பதிவிறக்குக…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "செருகுநிரல்களைப் பதிவிறக்கவும்" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "அறிவிலிமையம் களஞ்சியங்களிலிருந்து செருகுநிரல்களைப் பதிவிறக்கவும்." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "Ply render…" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "கோப்பை சேமி" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "Ply (*.பிளி) ;; உரை கோப்பு (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "Ply" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "பிளை பயன்படுத்தி காட்சியை வழங்கவும்." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "போவ்-ரே ரெண்டர்…" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "Pov-ray (*.pov) ;; உரை கோப்பு (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "போவ்ரே" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "POV-RAY ஐப் பயன்படுத்தி காட்சியை வழங்கவும்." #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "இணைதிறன்" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "முறையான கட்டணம்" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "%1 பகுதி கட்டணம்" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "ஃச் (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "ஒய் (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "சட் (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "சிட்டை" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "நிறம்" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "அணு" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "வகை" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "அணுவைத் தொடங்கவும்" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "இறுதி அணு" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "பாண்ட் ஆணை" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "நீளம் (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "சங்கிலி" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "இரண்டாம் நிலை அமைப்பு" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "பன்முகத்தன்மை வாய்ந்த" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "அணு 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "வெர்டெக்ச்" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "அணு 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "(°) கோணம்" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "அணு 2" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "அணு 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "Rmsd (Å)" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "ஆற்றல் (கிலோகலோரி/மோல்)" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "துண்டு சரிசெய்யவும்" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "எலிக்ச்" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "வளைவு" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "α எலிக்ச்" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "β தாள்" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 எலிக்ச்" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "பி பாலம்" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "திருப்பம்" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "சுருள்" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "அணு பண்புகள்…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "பிணைப்பு பண்புகள்…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "கோண பண்புகள்…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "முறுக்கு பண்புகள்…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "எச்ச பண்புகள்…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "கன்ஃபார்மர் பண்புகள்…" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" "அணு, பிணைப்பு, கோணம் மற்றும் முறுக்கு பண்புகளைக் காண்பிப்பதற்கும் திருத்துவதற்கும் " "அட்டவணைகள்." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "சொத்து டேபிள்ச்" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "அணு பண்புகள்" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "பிணைப்பு பண்புகள்" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "கோண பண்புகள்" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "முறுக்கு பண்புகள்" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "இணங்குபவர் பண்புகள்" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "எச்ச பண்புகள்" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "Qtaim" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "QTaim பண்புகளைப் பயன்படுத்தி ஆதிமனிதர்களை வழங்குகிறது" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "மூலக்கூறு வரைபடம்…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "தனி சோடிகளுடன் மூலக்கூறு வரைபடம்…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "அணு கட்டணம்…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "WFN கோப்பைத் திறக்கவும்" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Wfn கோப்புகள் (*.wfn) ;; அனைத்து கோப்புகளும் (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Qtaim நீட்டிப்பு" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "எவ்வளவு உள்ளீடு" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "குவாண்டம் குறியீடுகளுக்கான உள்ளீட்டை உருவாக்குங்கள்." #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "நடுவண்" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "அச்சுகளுக்கு பார்வையை சீரமைக்கவும்" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "அச்சுகளுக்கு பார்வையை சீரமைக்கவும்." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "பார்வையை மீட்டமை" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "பார்வை கேமராவை கையாளவும்." #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "ச்கிரிப்ட் சார்ச் மாதிரிகள்" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "வெளிப்புற ச்கிரிப்ட்களிலிருந்து மின்னியல் மாதிரிகளை ஏற்றவும்." #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "ச்கிரிப்ட் கோப்பு வடிவங்கள்" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "வெளிப்புற ச்கிரிப்ட்களிலிருந்து கோப்பு வாசகர்/எழுத்தாளர்களை ஏற்றவும்." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "அனைத்தையும் தெரிவுசெய்" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "எதுவுமில்லை என்பதைத் தேர்ந்தெடுக்கவும்" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "தலைகீழ் தேர்வு" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "உறுப்பு மூலம் தேர்ந்தெடுக்கவும்…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "அணு குறியீட்டால் தேர்ந்தெடுக்கவும்…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "எச்சத்தால் தேர்ந்தெடுக்கவும்…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "முதுகெலும்பு அணுக்களைத் தேர்ந்தெடுக்கவும்…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "சைட்செயின் அணுக்களைத் தேர்ந்தெடுக்கவும்…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "தண்ணீரைத் தேர்ந்தெடுக்கவும்" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "தேர்வு பெரிதாக்கு" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "தேர்வு சுருங்கவும்" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "தேர்விலிருந்து புதிய அடுக்கை உருவாக்கவும்" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "தேர்வுகளை மாற்றவும்" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "& தேர்ந்தெடுக்கவும்" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "உறுப்பு தேர்ந்தெடுக்கவும்" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "முதுகெலும்பைத் தேர்ந்தெடுக்கவும்" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "சைட்செயின் தேர்ந்தெடுக்கவும்" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "குறியீட்டால் அணுக்களைத் தேர்ந்தெடுக்கவும்" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "தேர்ந்தெடுக்க அணுக்கள்:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "அணுவைத் தேர்ந்தெடுக்கவும்" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "எச்சங்கள் மூலம் அணுக்களைத் தேர்ந்தெடுக்கவும்" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "தேர்ந்தெடுக்க எச்சங்கள்:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "எச்சத்தைத் தேர்ந்தெடுக்கவும்" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "தேர்ந்தெடு" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "தேர்வு" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" "தேர்வு கருவி (%1)\n" "\n" " இடது சுட்டி: தனிப்பட்ட அணுக்கள், எச்சங்கள் அல்லது துண்டுகளை எடுக்க சொடுக்கு செய்க\n" " அணுக்களின் வரம்பைத் தேர்ந்தெடுக்க இழுக்கவும்\n" " வலது சுட்டி: தேர்வை அழிக்க மூலக்கூறுக்கு வெளியே சொடுக்கு செய்க\n" " தேர்வில் சேர்க்கவும் மாற்றவும் கட்டுப்பாடு ஐப் பயன்படுத்தவும்.\n" " இருமுறை சொடுக்கு செய்யவும்: முழு துண்டுகளையும் தேர்ந்தெடுக்கவும்." #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "வண்ணப்பூச்சு அணுக்கள்" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "தேர்வு கருவி" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "புதிய அடுக்கு" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "விண்வெளி குழுவை உணருங்கள்…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "சமச்சீர்" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "அலகு கலத்தை நிரப்பவும்…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "சமச்சீரற்ற அலகுக்கு குறைக்கவும்" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "சகிப்புத்தன்மையை அமைக்கவும்…" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "விண்வெளி குழு" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "படிக விண்வெளி குழுவின் அடிப்படையில் சமச்சீர் அணுக்களை நிரப்பவும்." #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "விண்வெளி குழுவை உணருங்கள்" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "விண்வெளி குழு ஏற்கனவே அமைக்கப்பட்டுள்ளது: %1.\n" " அதை மேலெழுத விரும்புகிறீர்களா?" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "தோல்வி" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "விண்வெளி குழு கருத்து தோல்வியடைந்தது.\n" " வேறு சகிப்புத்தன்மையுடன் மீண்டும் முயற்சிக்க விரும்புகிறீர்களா?" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "பழமையான குறைப்பு" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "சகிப்புத்தன்மை தற்போது அமைக்கப்பட்டுள்ளது: %1.\n" " இந்த சகிப்புத்தன்மையுடன் தொடரவா?" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "பழமையான குறைப்பு தோல்வியடைந்தது.\n" " தயவுசெய்து உங்கள் படிகத்தை சரிபார்த்து, வேறு சகிப்புத்தன்மையுடன் மீண்டும் முயற்சிக்கவும்." #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "வழக்கமான செல் தோல்வியுற்றது.\n" " தயவுசெய்து உங்கள் படிகத்தை சரிபார்த்து, வேறு சகிப்புத்தன்மையுடன் மீண்டும் முயற்சிக்கவும்." #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "சமச்சீர்நிலை தோல்வியடைந்தது.\n" " தயவுசெய்து உங்கள் படிகத்தை சரிபார்த்து, வேறு சகிப்புத்தன்மையுடன் மீண்டும் முயற்சிக்கவும்." #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "அவோகாட்ரோ 2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "சகிப்புத்தன்மையைத் தேர்ந்தெடுக்கவும்:" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "பன்னாட்டு" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "ஆல்" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "எர்மன்-மாகுயின்" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "விண்வெளி குழுவைத் தேர்ந்தெடுக்கவும்" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "விண்வெளி குழு" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "படிகங்களுக்கான விண்வெளி குழு நற்பொருத்தங்கள்." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "சூழ்ச்சி நிறமாலை…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "ச்பெக்ட்ரா" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "ச்பெக்ட்ரா அடுக்குகளைக் காண்பி." #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "அகச்சிவப்பு" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "ராமன்" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "என்.எம்.ஆர்" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "மின்னணு" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "வட்ட டைக்ரோயிசம்" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "மாநிலங்களின் அடர்த்தி" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "பின்னணி நிறத்தைத் தேர்ந்தெடுக்கவும்" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "முன்புற வண்ணத்தைத் தேர்ந்தெடுக்கவும்" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "கணக்கிடப்பட்ட நிறமாலை வண்ணத்தைத் தேர்ந்தெடுக்கவும்" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "இறக்குமதி செய்யப்பட்ட ச்பெக்ட்ரா வண்ணத்தைத் தேர்ந்தெடுக்கவும்" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "அலைநீளம் (என்.எம்)" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "அதிர்வு நிறமாலை" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "அலைவரிசை (cm⁻)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "பரவும் முறை" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "ராமன் ச்பெக்ட்ரா" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "தீவிரம்" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "என்.எம்.ஆர் ச்பெக்ட்ரா" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "வேதியியல் மாற்றம் (பிபிஎம்)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "மின்னணு நிறமாலை" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "ஆற்றல் (ev)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "வட்ட டைக்ரோயிசம் ச்பெக்ட்ரா" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "அடர்த்தி" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "சமச்சீர்" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "கரைப்பான் அணுகக்கூடியது" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "கரைப்பான் விலக்கப்பட்டது" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "மூலக்கூறு சுற்றுப்பாதை" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "எலக்ட்ரான் அடர்த்தி" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "சுழல் அடர்த்தி" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "மோ %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(ஓமோ)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(லுமோ)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "கோப்பிலிருந்து" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "மேற்பரப்புகளை உருவாக்கவும்…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "வான் டெர் வால்ச் மேற்பரப்பை வழங்கவும்." #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "வான் டெர் வால்ச் மூலக்கூறு மேற்பரப்பை வழங்கவும்." #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "கரைப்பான்-அணுகக்கூடிய மூலக்கூறு மேற்பரப்பை வழங்கவும்." #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "கரைப்பான்-விலக்கப்பட்ட மூலக்கூறு மேற்பரப்பை வழங்கவும்." #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "ஒரு மூலக்கூறு சுற்றுப்பாதையை வழங்கவும்." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "எலக்ட்ரான் அடர்த்தியை வழங்கவும்." #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "சுழல் அடர்த்தியை வழங்கவும்." #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "கோப்புடன் வழங்கப்பட்ட ஒரு கனசதுரத்தை வழங்கவும்." #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "எலக்ட்ரான் அடர்த்தியைக் கணக்கிடுகிறது" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "சுழல் அடர்த்தியைக் கணக்கிடுகிறது" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "மூலக்கூறு சுற்றுப்பாதை %L1 கணக்கிடுதல்" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "மூவி அவி (*.வி)" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "ஏற்றுமதி திரைப்படம்" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "திரைப்பட MP4 (*.mp4) ;; திரைப்படங்கள் அவி (*.avi) ;; gif (*.gif)" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "மேற்பரப்புகள்" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "மேற்பரப்புகளைப் படித்து வழங்கவும்." #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "& எச்.வி.சி…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "எச்.வி.சி (*.SVG)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "எச்.வி.சி." #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "ஒரு எச்.வி.சி கோப்பில் காட்சியை வழங்கவும்." #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "வகுப்பு" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "சமச்சீர்…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "சமச்சீர் செயல்பாட்டை வழங்குதல்." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "சமச்சீர் கூறுகளை வழங்கவும்." #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "குழு %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "வார்ப்புரு" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" "வார்ப்புரு கருவி (%1)\n" "\n" " உலோக மையங்கள் உட்பட துண்டுகளைச் செருகவும்.\n" " ஒரு உறுப்பு மற்றும் ஒருங்கிணைப்பு வடிவவியலைத் தேர்ந்தெடுத்து, பின்னர் ஒரு பகுதியைச் " "செருக சொடுக்கு செய்க.\n" "\n" " ஒரு தசைநார் அல்லது செயல்பாட்டுக் குழுவைத் தேர்ந்தெடுத்து அதை இணைக்க ஒரு ஐட்ரசன் அணுவை " "சொடுக்கு செய்யவும்." #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "இடைநிலைப் பலகை" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "வார்ப்புருவைச் செருகவும்" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "தசைநார் செருகவும்" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "வார்ப்புரு கருவி" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "VDW கோளங்களின் எளிய காட்சி." #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "அதிர்வு முறைகள்…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "அதிர்வு முறைகள் உரையாடலைக் காட்டு." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "அதிர்வு பயன்முறையை அமைக்கவும்." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "அதிர்வு வீச்சு அமைக்கவும்." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "அதிர்வு அனிமேசனைத் தொடங்கவும்." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "அதிர்வு அனிமேசனை நிறுத்துங்கள்." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "அதிர்வுகள்" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "அதிர்வு முறைகளைக் காண்பி." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "வி.ஆர்.எம்.எல் ரெண்டர்…" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "Vrml (*.wrl) ;; உரை கோப்பு (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "வி.ஆர்.எம்.எல்" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "வி.ஆர்.எம்.எல் ஐப் பயன்படுத்தி காட்சியை வழங்கவும்." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "மூலக்கூறு ஒரு வயர்ஃப்ரேமாக வழங்கவும்." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "இசைக்குழு கட்டமைப்பைக் கணக்கிடுங்கள்…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "& Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "பேண்ட் கட்டமைப்பைக் கணக்கிட முடியாது: அலகு செல் இல்லை!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "பின்வரும் பிழையுடன் Yaehmop சாவுஒறுப்பு தோல்வியடைந்தது:\n" " %1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "யேஅ்மாப்பிலிருந்து இசைக்குழு கட்டமைப்பு வெளியீட்டைப் படிக்கத் தவறிவிட்டது!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "யேஅ்மோப் வெளியீட்டில் ஒரு சிறப்பு கே புள்ளி மட்டுமே காணப்பட்டது! இரண்டு அல்லது அதற்கு " "மேற்பட்டவை தேவை!" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "பேண்ட் %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "ஃபெர்மி நிலை" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "யேஅ்மோப்பைக் கண்டுபிடிக்க முடியவில்லை" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "பிழை: %1 தொடங்கத் தவறிவிட்டது" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "யேஅ்மோப் உள்ளீடு" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "யாமோப்" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "யேஅ்மோப்புடன் நீட்டிக்கப்பட்ட அக்கல் கணக்கீடுகளைச் செய்யுங்கள்." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "உரையாடல்" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "வடிவம்" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "கணக்கீட்டு அமைப்புகள்" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "ஒதுக்கிட உரை…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "மீட்டமை" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "பிழைத்திருத்த ச்கிரிப்ட்…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "கணக்கீட்டை சமர்ப்பிக்கவும்…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "உள்ளீட்டைச் சேமிக்கவும்…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "வரிசை மற்றும் நிரல்:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "புதுப்பிப்பு" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" "

      இந்த வேலைக்கு முன்பதிவு செய்ய செயலி கோர்களின் எண்ணிக்கை. " #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "செயலி கோர்கள்:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" "

      வேலை முடிந்ததும் தொலைநிலை வேலை கோப்புகளை நீக்கு. முடிவுகள் " "முதலில் உள்ளக மோலெக்யூ வேலை தற்காலிக சேமிப்பில் நகலெடுக்கப்படும்.

      " #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "முடிந்ததும் தொலைநிலை கோப்புகளை நீக்கு:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" "

      இந்த வேலை முன்னிருப்பாக மோலெக்யூ GUI இல் " "காண்பிக்கப்படுவதைத் தடுக்க சரிபார்க்கவும்.

      " #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "மோலெக்கில் ஐட் வேலை:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" "

      வேலையின் நிலை மாறும்போது ஒரு கணினி பாப்அப் அறிவிப்பைக் " "காட்டுங்கள்.

      " #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "முன்னேற்ற அறிவிப்புகளைக் காட்டு:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "முடிந்ததும் திறந்த வெளியீடு:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "கூறுகளை மறுபெயரிடுங்கள்" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "துண்டு செருகவும்…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "வடிகட்டி:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" "பொருந்தக்கூடிய கோப்புகளை மட்டுமே காட்ட ஒரு பெயர் அல்லது பெயரின் பகுதியை தட்டச்சு செய்க." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "செருகவும்" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "3dmol உஉகுமொ துணுக்கை" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "கிளிப்போர்டுக்கு நகலெடுக்கவும்" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+c" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "கட்டமைப்பு உள்ளீட்டு கோப்பு" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "PDB இலிருந்து உள்ளீட்டை உருவாக்குங்கள்" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB கோப்பு:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "படை புலம்:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "அம்பர்" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "வசீகரம்" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "பாகுபடுத்தல்" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "டைல் 06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "Peoepb" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "ச்வான்சன்" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "PDB2PQR ஐ இயக்கவும்" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "இருக்கும் PQR கோப்பை ஏற்றவும்" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR கோப்பு:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "APBS உள்ளீட்டு கோப்பு" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "உள்ளீட்டு கோப்பை சேமிக்கவும்" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "APBS ஐ இயக்கவும்" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "வெற்றி!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "கட்டமைப்பு கோப்பை ஏற்றவும்" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "கியூப் கோப்பை ஏற்றவும்" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "பகுதி கட்டணங்கள்" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "குற்றச்சாட்டு மாதிரி:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "தொலைதூர சகிப்புத்தன்மை:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "குறைந்தபட்ச தூரம்:" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "தொகுதி வழங்குதல்" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "கன சதுரம்" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "தொகுதி வழங்குதல் இயக்கவும்" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "மேற்பரப்பு வழங்குதல் இயக்கவும்" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "ஐச்ஒமதிப்பு" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "“அடிப்படை” கான்டா சூழல் மட்டுமே உள்ளது.\n" " அவோகாட்ரோவுக்கு புதிய சூழலை உருவாக்க விரும்புகிறீர்களா?\n" " இது உங்கள் அடிப்படை சூழலின் நகலை உருவாக்கும்.\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "சூழல் பெயர்:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "அவோகாட்ரோ" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "ச்கிரிப்ட்களை இயக்க பயன்படுத்தப்படும் பைதான் பதிப்பைத் தேர்ந்தெடுக்கவும்.\n" " ஏதேனும் மாற்றங்கள் நடைமுறைக்கு வர அவோகாட்ரோ மறுதொடக்கம் செய்யப்பட வேண்டும்." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "சூழல்:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "ஒருங்கிணைப்பு ஆசிரியர்" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "முன்னமைவு:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "தொலைதூர அலகு:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "ஆங்ச்ட்ரோம்" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "போ" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "வடிவம்:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" "

      வடிவமைப்பின் விவரக்குறிப்பு. ஒவ்வொரு எழுத்தும் ஒரு " "அணுவுக்கு எழுத ஒரு மதிப்பைக் குறிக்கிறது:

      - அணுக் குறியீடு (1, 2, ..., numatoms)
      -அணு எண் (எ.கா. கார்பனுக்கு \"6\")
      வி - விளையாட்டு-பாணி அணு எண் (எ.கா. கார்பனுக்கு \"6.0\")
      n - உறுப்புப் பெயர் (எ.கா. \"கார்பன்\" " "br/> S -உறுப்பு அடையாளம் (எ.கா. " "கார்பனுக்கு \"சி\"       - அணு சிட்டை (எ.கா., இரண்டாவது கார்பன் அணுவுக்கு \"சி " "2\", முதல் ஐட்ரசனுக்கான \"எச் 1\")
      <ச்பான் பாணி = \"எழுத்துரு -எடை: 600;\"> " "ஃச் - ஃச் நிலை ஒருங்கிணைப்பு
      ஒய் -y நிலை ஒருங்கிணைப்பு
      சட் - சட் நிலை ஒருங்கிணைப்பு
      a -'a' லட்டு ஒருங்கிணைப்பு (படிகங்கள் மட்டும்)
      _ -சீரமைப்புக்கு பயனுள்ள ஒரு நேரடி இடம் (\"\")
      0 - ஒரு நேரடி 0 (\"0\"), தேர்வுமுறை " "கொடிகளுக்குப் பயனுள்ளதாக இருக்கும்
      " "1 - ஒரு நேரடி 1 (\"1\"), தேர்வுமுறை கொடிகளுக்குப் பயனுள்ளதாக இருக்கும்

      " #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "உதவி…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "ஒட்டு" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "மாற்றியமைக்கவும்" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "இடு" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "சிபி 2 கே உள்ளீடு" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "அனைத்தையும் மீட்டமைக்கவும்" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "இயல்புநிலை" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "கோப்பைச் சேமி…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "& அடிப்படை அமைப்பு" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "தலைப்பு:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "கோப்பு பெயர் அடிப்படை:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "பணி" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "கணக்கிடுங்கள்:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "முறை:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "அடிப்படை தொகுப்பு:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "செயல்பாடு" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "மிமீ" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF EMAX SPLINE SPIN" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "Ff rcut nb" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "பாய்சன் எவால்ட் வகை" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "பாய்சன் எவால்ட் ஆல்பா" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "பாய்சன் எவால்ட் சிமேக்ச்" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "Qm" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "எல்.எச்.டி." #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "உண்மை" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "அதிகபட்ச எச்சிஎஃப்" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "இபிஎச் எச்சிஎஃப்" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "எச்சிஎஃப் யூக" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "வெளிப்புற மேக்ச் எச்சிஎஃப்" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "வெளிப்புற இபிஎச் எச்சிஎஃப்" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "வழங்கியவர் டி மினிமிசர்" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "திறந்த பாபல் மாற்றத்திற்கான கோப்பு நீட்டிப்பு (இயல்புநிலை - அவோகாட்ரோ :: போச்கார்):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "சூப்பர்செல் அளவுருக்கள்" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "சூப்பர் செல் விருப்பங்கள்" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "மீண்டும்:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B மீண்டும்:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "சி மீண்டும்:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "யூனிட் செல் எடிட்டர்" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "அ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "சி:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "அ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "சி:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "செல் அணி:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "பகுதியளவு மேட்ரிக்ச்:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "& மாற்ற அணுக்கள்" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "& விண்ணப்பிக்கவும்" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "& மாற்றியமைத்தல்" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "& மறை" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "அளவிலான அலகு செல் தொகுதி" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "புதிய & தொகுதி:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "& அளவிடுதல் காரணி:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "தற்போதைய தொகுதி:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "டெக்ச்ட்லேபிள்" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "பாண்ட் ஆணை:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "வடிவியல் தேர்வுமுறை அளவுருக்கள்" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "குவிப்பு அளவுகோல்கள்" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "ஆற்றல் ஒருங்கிணைப்பு:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "படி வரம்பு:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " அலகுகள்" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " படிகள்" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "சாய்வு குவிப்பு:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "தேர்வுமுறை முறை" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "படை புலம்:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "ஆட்டோடெடெக்ட்" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "கேமச் உள்ளீடு" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "இல்:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "பெருக்கம்:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "உடன்:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "கட்டணம்:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "PQR இலிருந்து இறக்குமதி…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "தேடல்" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "பெயர்" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "குறிச்சொல்" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "ஒத்த பெயர்" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "தேற்றம்" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "அங்குலங்கள்" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "வழங்கியவர்: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "சூத்திரம்:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "பதிவிறக்கம்" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "பெயர்:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "நியூக்ளிக் அமிலங்களை செருகவும்" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "டி.என்.ஏ/ஆர்.என்.ஏ பில்டர்" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "டி.என்.ஏ" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "ஆர்.என்.ஏ" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "நியூக்ளிக் அமிலங்கள்:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "அடினின்" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "சைட்டோசின்" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "குவானைன்" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "டி" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "வரிசை:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "எலிக்ச் திருப்பத்திற்கு அடிப்படை சோடிகளின் எண்ணிக்கை" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "சட்" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "மற்றொன்று" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "ஒரு திருப்பத்திற்கு தளங்கள்:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "இழைகள்:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "ஒற்றை" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "இரட்டை" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPS உள்ளீடு" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "உள்ளீட்டு கோப்பு கருத்துகள்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "உருவகப்படுத்துதலின் போது பயன்படுத்த வேண்டிய அலகு பாணியைத் தேர்ந்தெடுக்கவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" "<\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "அலகுகள்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "எல்.சே." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "உண்மையான" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "மாழை" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "மற்றும்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "சி.சி.எச்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "எதிர்மின்னி" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "நீர் சாத்தியம்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "Spc" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "எச்பிசி/இ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "தரவுக் கோப்பால் பயன்படுத்தப்படும் Atom_style ஐத் தேர்ந்தெடுக்கவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" "\n" " \n" "

      http://lammps.sandia.gov/doc/atom_style.html" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "அணு நடை" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "கோணம்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "அணு" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "கடனீடு" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "மின்னூட்டு" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "இருமுனை" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "நீள்வட்ட" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "முழு" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "வரி" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "மீசோ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "மூலக்கூறு" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "பெரி" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "கோளம்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "ட்ரை" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "அலைவரிசை" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "ஒருங்கிணைப்பு கோப்புக்கு பயன்படுத்த வேண்டிய பெயரைக் குறிப்பிடவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "தரவு கோப்பை ஒருங்கிணைத்தல்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "குழுமம்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "N / a" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "Nve" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "வெப்பநிலை" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "என்விடி குழுமத்தில் நோச்-ஊவர் சங்கிலிகளின் எண்ணிக்கையைத் தேர்ந்தெடுக்கவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "என்.எச் சங்கிலிகள்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "\"அலகுகள்\" விவரக்குறிப்பின் படி அலகுகளில் உருவகப்படுத்துதலுக்கான நேர படி." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "நேர படி" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "உருவகப்படுத்துதலின் போது எழுத XYZ கோப்பின் கோப்பு பெயர்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "XYZ ஐ டம்ப்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "கணினியில் பரிமாணங்களின் எண்ணிக்கை." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "பரிமாணங்கள்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "சட் எல்லை பாணியை மாற்றவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "ப" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "கள்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "மீ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "எஃப்.எம்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "ஒய் எல்லை பாணியை மாற்றவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "ஃச் எல்லை பாணியை மாற்றவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "ஃச், ஒய் மற்றும் சட் திசைகளில் எல்லை பாணிகளைத் தேர்ந்தெடுக்கவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "எல்லை" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "ஃச், ஒய் மற்றும் சட் திசைகளில் பிரதிகளின் எண்ணிக்கை." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "பிரதி" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "ஃச் திசையை நகலெடுக்கவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "ஒய் திசையை நகலெடுக்கவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "சட் திசையை நகலெடுக்கவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "உருவகப்படுத்துதலை இயக்க மொத்த நேரங்களின் எண்ணிக்கை." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "மொத்த படிகள்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "டம்ப் இடைவெளி" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "உருவகப்படுத்துதலுக்கான ஆரம்ப அணு வேகங்களை அமைக்கவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "ஆரம்ப விரைவு" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "ஆரம்ப அணு வேகங்களின் விநியோகத்தைத் தேர்ந்தெடுக்கவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "காசியன்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "சீரான" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "இந்த வெப்பநிலையுடன் பொருந்தக்கூடிய ஆரம்ப அணு வேகங்களை அமைக்கவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "ஆரம்ப வேகங்களிலிருந்து கணினி நேரியல் வேகத்தை அகற்று." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "சுழிய நேரியல் உந்தம்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "ஆரம்ப வேகங்களிலிருந்து கணினி கோண வேகத்தை அகற்று." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "சுழிய கோண உந்தம்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "உருவகப்படுத்துதலின் போது வெப்ப இயக்கவியல் வெளியீட்டைக் கட்டுப்படுத்தவும்." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "வெளியீடு" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "வெளியீட்டு இடைவெளி" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "மே" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "ZD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "வெப்ப இயக்கவியல் வெளியீட்டு நடை." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "ஒரு வரி" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "பல வரி" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "படிவத்தைப் பயன்படுத்தவும்" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "உருவாக்கு…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "விவரிப்பான்:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "ஃச்" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "ஒய்" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "இவர்களால் மொழிபெயர்க்கப்பட்டது:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "சுற்றி சுழற்றுங்கள்:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "தோற்றம்" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "மூலக்கூறின் நடுவண்" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "தேர்வு நடுவண்" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "எக்ச்-அச்சு" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Y- அச்சு" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Z- அச்சு" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "நகர்த்து:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "தேர்ந்தெடுக்கப்பட்ட அணுக்கள்" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "மற்ற அனைத்தும்" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "இணங்குபவர் தேடல்" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "முறை" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "கன்ஃபார்மர்களின் எண்ணிக்கை:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "முறையான ரோட்டார் தேடல்" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "சீரற்ற ரோட்டார் தேடல்" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "வெயிட்டட் ரோட்டார் தேடல்" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "மரபணு வழிமுறை தேடல்" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "ஒரு கன்ஃபார்மருக்கு உகப்பாக்கம்:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "மரபணு வழிமுறை விருப்பங்கள்" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "ஒவ்வொரு பெற்றோர் வடிவவியலுக்கும் குழந்தைகளின் எண்ணிக்கை" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "குழந்தைகள்:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "பிறழ்வு அதிர்வெண் (குறைந்த = அடிக்கடி பிறழ்வுகள்)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "பிறழ்வு:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "ஒன்றிணைவதற்கு முன் ஒரே மாதிரியான தலைமுறைகளின் எண்ணிக்கை" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "ஒன்றிணைத்தல்:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "மதிப்பெண் முறை:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" "மரபணு வழிமுறைக்கான மதிப்பெண் முறை (RMSD = வடிவியல் தூரம், ஆற்றல் = குறைந்த ஆற்றல்கள்)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "Rmsd" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "தேர்வுமுறை வழிமுறை:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "வரி தேடல் நுட்பம்:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "செங்குத்தான வம்சாவளி" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "இணை சாய்வு" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "எளிய" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "நியூட்டனின் முறை" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "பிணைக்கப்படாத தொடர்புகளை கட்டுப்படுத்துங்கள்" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "வான் டெர் வால்ச் வெட்டு தூரம்:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "இணை புதுப்பிப்பு அதிர்வெண்:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "மின்னியல் வெட்டு தூரம்:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "பெறுநர்" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "\"ஆற்றல்\" குவிதல்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "OpenMM ச்கிரிப்ட் பில்டர்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "வேலை ச்கிரிப்ட்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "ச்கிரிப்ட்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "உள்ளீட்டு ஒருங்கிணைப்புகள்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "Input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "உள்ளீட்டு இடவியல்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "ஃபோர்ச்ஃபீல்ட்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "மீண்டும் சேரவும்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "பக்கவாதம்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "Amber99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "Amber99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "அம்பர் 03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "அம்பர் 10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "நீர் மாதிரி:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "உதவிக்குறிப்பு 3 பி" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "Tip4p-they" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "Tip5p" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "மறைமுக கரைப்பான் (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "இயங்குதளம்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "குறிப்பு" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "ஓபன்எல்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "சிபியு" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "குடா" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "துல்லியம்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "ஒற்றை" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "கலப்பு" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "இரட்டை" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "சாதன அட்டவணை:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "OpenCL இயங்குதள அட்டவணை:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "பிணைக்கப்படாத முறை:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "நோகுடாஃப்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "கட்ஆஃப்னான்பெரியோடிக்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "கட்ஆஃபெரியோடிக்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "எவால்ட்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "எவால்ட் சகிப்புத்தன்மை:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "தடைகள்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "Hbonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "ALLBONDS" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "ஏங்கிங்ச்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "கட்டுப்பாட்டு சகிப்புத்தன்மை:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "கடினமான நீர்?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "தவறு" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "பிணைக்கப்படாத வெட்டு:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr " என்.எம்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "சீரற்ற ஆரம்ப வேகம்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "தலைமுறை தற்காலிக:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " கே" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "ஒருங்கிணைப்பாளர்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "லாங்கேவின்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "வெரெட்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "பிரவுனியன்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "Variablelangevin" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "மாறிநிலை" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "நேரம்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr " fs" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "பிழை சகிப்புத்தன்மை:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "மோதல் வீதம்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "/சோசலிச்ட் கட்சி" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "வெப்பநிலை:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "பரோச்டாட்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "மான்டே கார்லோ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "அழுத்தம்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr " ஏடிஎம்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "பரோச்டாட் இடைவெளி" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "நிருபர்கள்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "ச்டேட்டட்டா" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "டி.சி.டி." #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "பி.டி.பி." #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "அறிக்கை இடைவெளி:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "சமநிலை படிகள்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "விளைவாக்கம் படிகள்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "குறைக்கவா?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "அதிகபட்சம். படிகளைக் குறைக்க:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "STATEDATA விருப்பங்கள்:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "படி அட்டவணை" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "நேரம்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "வேகம்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "முன்னேற்றம்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "நிலை ஆற்றல்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "இயக்காற்றல்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "மொத்த ஆற்றல்" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "தொகுதி" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "PDF சூழ்ச்சி விருப்பங்கள்" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "அதிகபட்ச ஆரம்:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "படி (டாக்டர்):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "தத்துவார்த்த எக்ச்ஆர்டி முறை விருப்பங்கள்" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" "

      அடிவாரத்தில் (டிகிரிகளில்) உச்சத்தை விரிவுபடுத்துதல்." #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" "

      டிகிரிகளில் அதிகபட்ச 2 தீட்டா மதிப்பு.

      இயல்புநிலை: " "162.00°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" "

      டிகிரிகளில் அடிவாரத்தில் சிகரங்களை விரிவுபடுத்துதல்.

      இயல்புநிலை: 0.52958°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "புள்ளிகளின் எண்ணிக்கை:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "உச்ச அகலம்:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "அலைநீளம்:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" "

      ஆங்ச்ட்ராம்களில் எக்ச்-ரேயின் அலைநீளம்.

      இயல்புநிலை: " "1.50560 Å

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" "

      2 தீட்டாவின் எண்ணிக்கை உருவாக்க வேண்டும்.

      இயல்புநிலை: " "1000

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "அதிகபட்சம் 2*தீட்டா:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "தேர்ந்தெடுக்கப்பட்ட பதிவிறக்க" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "முக்கியமான புள்ளி ஆரம்:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "பிணைப்பு பாதை ஆரம்:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "ஒருவலு" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "நிலையான அளவு" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "வண்ணத்தைப் பயன்படுத்துங்கள்" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "ச்பெக்ட்ரா காட்சிப்படுத்தல்" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "அளவிலான காரணி:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "எக்ச்-அச்சு குறைந்தபட்சம்:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "எக்ச்-அச்சு அதிகபட்சம்:" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "ஆஃப்செட்:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "Y- அச்சு அதிகபட்சம்:" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "Y- அச்சு குறைந்தபட்சம்:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "உச்ச அகலம்:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "உச்ச வாசல்:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "அலகுகள்:" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "& தோற்றம்" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "காட்டு" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "சதித்திட்டத்தில் மேலடுக்கு சோதனை நிறமாலை ஒரு டி.எச்.வி." #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "& இறக்குமதி ..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "வண்ணத்தை அமைக்கவும் ..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "இறக்குமதி செய்யப்பட்ட ச்பெக்ட்ரா:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "& ஏற்றுமதி ..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "பின்னணி:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "கணக்கிடப்பட்ட ச்பெக்ட்ரா:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "எழுத்துரு அளவு:" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "வரி அகலம்:" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "தரவு ஏற்றுமதி" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "மூடு (&c)" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "& விருப்பங்கள்…" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "ஃச்" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "ஒய்" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "கட்டுப்பாடுகள்:\n" " இரட்டை இடது கிளிக்: இயல்புநிலை அச்சு வரம்புகளை மீட்டெடுங்கள்\n" " வலது சொடுக்கு + இழுத்தல்: சூழ்ச்சி நகர்த்தவும்\n" " நடுத்தர சொடுக்கு + இழுத்தல்: பிராந்தியத்திற்கு பெரிதாக்கு\n" " உருள் சக்கரம்: கர்சருக்கு பெரிதாக்கு" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "& தரவை ஏற்றவும் ..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "மிகக் குறைவு" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "குறைந்த" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "சராசரி" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "உயர்ந்த" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "மிக உயர்ந்த" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "மேற்பரப்புகளை உருவாக்கவும்" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "மேற்பரப்பு:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "அகர" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "பீட்டா" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "வண்ணம்தீட்டியவர்:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "மின்னியல் ஆற்றல்" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "தீர்மானம்:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "ஐசோசர்ஃபேச் மதிப்பு:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "மென்மையாக்குதல்:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "ஒளி" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "வலுவான" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "கணக்கிடுங்கள்" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "சி <துணை> 1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "மூலக்கூறு" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "சமச்சீராக சமமான அணுக்கள்:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "பூட்டு சமச்சீர்" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "செயல்பாடுகள்" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "சமச்சீர் கூறுகள்:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "துணைக்குழுக்கள்" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "துணைக்குழுக்கள்:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "சகிப்புத்தன்மை:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "இறுக்கமான" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "சாதாரண" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "தளர்வான" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "மிகவும் தளர்வான" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "சமச்சீரைக் கண்டறியவும்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "மையங்கள்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "முறையான கட்டணம்:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "0" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "+1" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "+2" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "+3" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "+4" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "+5" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "+6" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "+7" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "ஒருங்கிணைப்பு:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: ஆக்டோஎட்ரல்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: நேரியல்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: நேரியல்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: முக்கோண பிளானர்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: டெட்ராஎட்ரல்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: சதுர பிளானர்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: முக்கோண இருமுனை" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: சதுர பிரமிடு" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: முக்கோண ப்ரிசம்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: பென்டகோனல் இருமுனை" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: சதுர ஆண்டிப்ரிசம்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "ஈந்தணைவிகள்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "தட்டச்சு:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "செங்குத்து நபர்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "பைடெனேட்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "ட்ரைடெனேட்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "டிராடேன்டாடே" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "அறுகோண" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "ஆப்டிக்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "கிளிப்போர்டிலிருந்து" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "லிகண்ட்:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "குழுக்கள்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "குழு:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "நீரகப்பரியம்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "ஈருயிரகக்கரிமம்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "அத்தர்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "இருப்பிணை இருக்கொள்ளியம்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "முப்பிணை இருக்கொள்ளியம்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "தழைமவீருயிரகம்" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "மக்கிடை" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "நாலுயிரகத்தீமுறி" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "சல்போனேட்" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "அதிர்வு முறைகள்" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "வீச்சு:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "அனிமேசனைத் தொடங்குங்கள்" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "அனிமேசனை நிறுத்து" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "யேஅ்மோப் பேண்ட்" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "மணித்துளி ஒய்: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr " ஈ.வி." #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" "

      இந்தப் பெட்டியைச் சரிபார்க்கும் முன் ஃபெர்மி நிலை அறியப்பட " "வேண்டும். மாநிலங்களின் கணக்கீட்டின் அடர்த்தியைச் செய்வதன் மூலமும் தரவைக் காண்பிப்பதன் மூலமும் " "நீங்கள் ஃபெர்மி அளவைக் கண்டறியலாம் (இது தரவின் உச்சியில் இருக்கும்). கூடுதலாக, " "மாநிலங்களின் கணக்கீட்டின் அடர்த்தி செய்யப்பட்டால், இங்குள்ள ஃபெர்மி நிலை மாநிலக் கணக்கீட்டின் " "அடர்த்தியின்போது கண்டறியப்பட்டவற்றிற்கு தானாகவே அமைக்கப்படும்.

      இந்தப் பெட்டி " "சரிபார்க்கப்பட்டால், சரியான ஃபெர்மி நிலை உறுதிப்படுத்திக் கொள்ளுங்கள் வலது புறத்தில் உள்ள " "ச்பின் பாக்சில் அமைக்கப்பட்டுள்ளது.

      இயல்புநிலை: ஆஃப்

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "ஃபெர்மி சதி?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" "

      பூச்சியம் ஃபெர்மி என்பதற்காக ஆற்றல்களைச் சரிசெய்யவும்? நாங்கள் " "ஃபெர்மி அளவை சூழ்ச்சி செய்தால் மட்டுமே கிடைக்கும்.


      இயல்புநிலை:அணை" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "சுழிய ஃபெர்மி?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "சிறப்பு கே-புள்ளிகளை இணைக்கும் கே-பாயிண்டுகளின் #:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "சிறப்பு கே-புள்ளிகள்" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "அதிகபட்ச ஒய்: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "

      தி ஃபெர்மி நிலை

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" "

      சிறப்பு கே-புள்ளிகளை உள்ளிடவும்:

      l 0.5 0.5 " "0.5

      g 0.0 0.0 0.0

      ஃச் 0.5 0.0 0.5

      அதாவது, & lt; " "அடையாளம் & gt; & lt; ஃச் & gt; & lt; ஒய் & gt; & lt; சட் & gt; ஃச், ஒய் மற்றும் சட் " "ஆகியவை பகுதியளவு பரச்பர விண்வெளி ஆயத்தொகுப்புகளாகும். இந்த கே-பாயிண்ட்களை நீங்கள் " "வைக்கும் வரிசையில் வரைபடத்தில் இணைக்கும் கோடுகள் வரையப்படும். உங்கள் கலத்தின் நோக்குநிலை " "இந்தப் பரச்பர விண்வெளி புள்ளிகளின் இருப்பிடங்களில் தாக்கத்தை ஏற்படுத்தக்கூடும் என்பதை " "நினைவில் கொள்க.

      என்றால் படிகத்தின் விண்வெளி குழு உணரப்பட்டது அல்லது " "அமைக்கப்பட்டுள்ளது, சிறப்பு கேப்புள்ளிகள் தானாகவே அந்த விண்வெளி குழுவிற்கான பழமையான செல் " "உயர் சமச்சீர் புள்ளிகளுடன் நிரப்பப்படும். லட்டியைப் பொறுத்து ஒரு சில விண்வெளி குழுக்கள் " "வெவ்வேறு உயர் சமச்சீர் புள்ளிகள் உள்ளன (a & gt; b அல்லது a & lt; b) - இது தானாகவே " "கணக்கில் எடுத்துக்கொள்ளப்படுகிறது.

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" "\n" " \n" "

      சிஎம் 0.0 0.0 0.0

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" "

      சிறப்பு K- புள்ளிகளை இணைக்கும் K- புள்ளிகளின் எண்ணிக்கையை " "உள்ளிடவும். இந்த கே-பாயிண்டுகளில் அதிகமானவை வரைபடத்தை மென்மையாக்கும், ஆனால் கணக்கீடு " "அதிக நேரம் ஆகலாம்.

      இயல்புநிலை: 40

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" "

      சதித்திட்டத்தில் Y- வரம்பைக் கட்டுப்படுத்துகிறீர்களா?

      " "

      இயல்புநிலை: ஆஃப்

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "Y- வரம்பைக் கட்டுப்படுத்தவா?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" "

      அவ்வப்போது பரிமாணங்களின் எண்ணிக்கை.


      " "

      இது 1 ஆக அமைக்கப்பட்டால், பொருள் அவ்வப்போது மட்டுமே படிகத்தின் ஒரு திசையனுடன்.


      இது 3 ஆக அமைக்கப்பட்டால், படிகத்தின் A, B மற்றும் C திசையன்களுடன் " "பொருள் அவ்வப்போது இருக்கும்.


      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "பரிமாணங்களின் எண்ணிக்கை:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "Yaehmop உள்ளீட்டைக் காண்பிக்கவா?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "உங்கள் பெயர்கள்" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "உங்கள் மின்னஞ்சல்கள்" #~ msgid "eV" #~ msgstr "ஈ.வி." #~ msgid "eV)" #~ msgstr "ev)" #~ msgid "Partial Charge" #~ msgstr "பகுதி கட்டணம்" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "பத்திர மைய கையாளுதல் கருவி\n" #~ "\n" #~ " இடது சுட்டி: காட்சியை சுழற்ற சொடுக்கு செய்து இழுக்கவும்.\n" #~ " நடுத்தர சுட்டி: சொடுக்கு செய்து பெரிதாக்கவும் அல்லது வெளியே இழுக்கவும்.\n" #~ " வலது சுட்டி: காட்சியை நகர்த்த சொடுக்கு செய்து இழுக்கவும்.\n" #~ " இருமுறை சொடுக்கு செய்யவும்: பார்வையை மீட்டமைக்கவும்.\n" #~ "\n" #~ " கையாளுதல் விமானத்தை அமைக்க ஒரு பத்திரத்தில் இடது சொடுக்கு & இழுக்கவும்:\n" #~ " கோணத்தை மாற்ற பிணைப்பில் உள்ள அணுக்களில் ஒன்றை இடது சொடுக்கு செய்து இழுக்கவும்\n" #~ " வலது சொடுக்கு செய்து நீளத்தை மாற்ற பிணைப்பில் உள்ள அணுக்களில் ஒன்றை இழுக்கவும்" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "கருவி டிரா\n" #~ "\n" #~ " இடது சுட்டி: அணுக்கள் மற்றும் பிணைப்பை உருவாக்க சொடுக்கு செய்து இழுக்கவும்\n" #~ " வலது சுட்டி: அணுவை நீக்கு" #~ msgid "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "அணு சிட்டை கருவி\n" #~ "\n" #~ " இடது சுட்டி: தனிப்பயன் லேபிள்களைச் சேர்க்க அணுக்களைக் சொடுக்கு செய்க" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "அளவீட்டு கருவி\n" #~ "\n" #~ " இடது சுட்டி: நான்கு அணுக்கள் வரை தேர்ந்தெடுக்கவும்.\n" #~ " 1-2 முதல் 2-3 வரை தூரங்கள் அளவிடப்படுகின்றன\n" #~ " பொதுவான புள்ளியாக 2 ஐப் பயன்படுத்தி 1-3 க்கு இடையில் கோணம் அளவிடப்படுகிறது\n" #~ " டிஎட்ரல் 1-2-3-4 க்கு இடையில் அளவிடப்படுகிறது\n" #~ " வலது சுட்டி: அளவீடுகளை மீட்டமைக்கவும்." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "வழிசெலுத்தல் கருவி\n" #~ "\n" #~ " இடது சுட்டி: காட்சியை சுழற்ற சொடுக்கு செய்து இழுக்கவும்.\n" #~ " நடுத்தர சுட்டி: சொடுக்கு செய்து பெரிதாக்கவும் அல்லது வெளியே இழுக்கவும்.\n" #~ " வலது சுட்டி: காட்சியை நகர்த்த சொடுக்கு செய்து இழுக்கவும்.\n" #~ msgid "Animation Tool" #~ msgstr "அனிமேசன் கருவி" #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "தேர்வு கருவி\n" #~ "\n" #~ " இடது சுட்டி: தனிப்பட்ட அணுக்கள், எச்சங்கள் அல்லது துண்டுகளை எடுக்க சொடுக்கு செய்க\n" #~ " அணுக்களின் வரம்பைத் தேர்ந்தெடுக்க இழுக்கவும்\n" #~ " வலது சுட்டி: தேர்வை அழிக்க மூலக்கூறுக்கு வெளியே சொடுக்கு செய்க\n" #~ " தேர்வில் சேர்க்கவும் மாற்றவும் கட்டுப்பாடு ஐப் பயன்படுத்தவும்.\n" #~ " இருமுறை சொடுக்கு செய்யவும்: முழு துண்டுகளையும் தேர்ந்தெடுக்கவும்." #~ msgid "" #~ "Template Tool\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "வார்ப்புரு கருவி\n" #~ "\n" #~ " உலோக மையங்கள் உட்பட துண்டுகளைச் செருகவும்.\n" #~ " ஒரு உறுப்பு மற்றும் ஒருங்கிணைப்பு வடிவவியலைத் தேர்ந்தெடுத்து, பின்னர் ஒரு பகுதியைச் " #~ "செருக சொடுக்கு செய்க.\n" #~ "\n" #~ " ஒரு தசைநார் அல்லது செயல்பாட்டுக் குழுவைத் தேர்ந்தெடுத்து அதை இணைக்க ஒரு ஐட்ரசன் " #~ "அணுவை சொடுக்கு செய்யவும்." #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "வான் டெர் வால்ச் (ஏஓ)" #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "கையாளுதல் கருவி\n" #~ "\n" #~ " இடது சுட்டி: சொடுக்கு செய்து அணுகுகளை நகர்த்த இழுக்கவும்\n" #~ " வலது சுட்டி: தேர்ந்தெடுக்கப்பட்ட அணுக்களைச் சுழற்ற சொடுக்கு செய்து இழுக்கவும்.\n" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "சுற்றுப்புற மறுப்புடன் VDW கோளங்களின் எளிய காட்சி." #~ msgid "Geometry" #~ msgstr "வடிவியல்" #~ msgid "Add Unit Cell" #~ msgstr "அலகு கலத்தைச் சேர்க்கவும்" #~ msgid "By Atomic Index" #~ msgstr "அணு குறியீட்டால்" #~ msgid "By Distance" #~ msgstr "தூரம் மூலம்" #~ msgid "Select Water…" #~ msgstr "தண்ணீரைத் தேர்ந்தெடுக்கவும்…" avogadrolibs-1.100.0/i18n/te.po000066400000000000000000007065051474375334400161070ustar00rootroot00000000000000# Translations for the Avogadro molecular builder. # Copyright (C) 2006-2018 The Avogadro Project # This file is distributed under the same license as the Avogadro package. # Balavamsi Krishna , 2023. # Eisuke Kawashima , 2025. msgid "" msgstr "" "Project-Id-Version: Avogadro 1.90.0\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-13 03:01+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Telugu \n" "Language: te\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.10-dev\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 #, fuzzy msgid "No molecule set in BackgroundFileFormat!" msgstr "బ్యాక్‌గ్రౌండ్‌ఫైల్ ఫార్మాట్‌లో అణువు ఏదీ సెట్ చేయబడలేదు!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 #, fuzzy msgid "&File" msgstr "&ఫైల్" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 #, fuzzy msgid "&Export" msgstr "ఎగుమతి చెయ్యి" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "& నిర్మించు" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "(&V) చూడు" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "పొడిగింతలు" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "(&E) సరిదిద్దు" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 #, fuzzy msgid "Network Download Failed" msgstr "జాలాకార వ్యవస్థ సవరణకు అవరోధం ఏర్పడింది" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "జాలాకార వ్యవస్థ నిర్ణీతవ్యవధిలో ప్రతిస్పందించలేదు లేక ఇతర ప్రతిబంధకము ఏర్పడి ఉండవచ్చు ." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy msgid "Export…" msgstr "ఎగుమతి చెయ్యి" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "(&S) ఎంచుకోండి" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) #, fuzzy msgid "&Export..." msgstr "ఎగుమతి చెయ్యి" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" avogadrolibs-1.100.0/i18n/th.po000066400000000000000000007053611474375334400161110ustar00rootroot00000000000000# Thai translation for avogadro # Copyright (c) 2015 Rosetta Contributors and Canonical Ltd 2015 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2015. # Eisuke Kawashima , 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-13 03:01+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Thai \n" "Language: th\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=1; plural=0;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "กำหนดสีเอง…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Rockworld, ,Launchpad Contributions:,Rockworld, ," "Launchpad Contributions:,Rockworld" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr ",,sumoisrock@gmail.com,,,sumoisrock@gmail.com,,,sumoisrock@gmail.com" avogadrolibs-1.100.0/i18n/tr.po000066400000000000000000010647631474375334400161300ustar00rootroot00000000000000# Turkish translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Oğuz Ersen , 2020, 2021. # Talking Panda , 2020. # Suleyman Poyraz , 2020. # Yunus AK , 2021. # udo pton , 2021. # Acun , 2021. # Hıncal Gökhan BAKIR , 2023. # Hakkı Konu , 2023. # Emir , 2024. # Eisuke Kawashima , 2024, 2025. # Onur Kalkan , 2024. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-15 13:00+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Turkish \n" "Language: tr\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Toplu İş #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "İleti belirtilmedi." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "script --print-options çıktısı en üst düzeyde bir JSON nesnesi olmalıdır.\n" "%1" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "Dizi olmayan uyarı döndürüldü." #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "'uyarılar' üyesi bir diziliş değil." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "'%1' başvuru dosyası yok." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "%1 dosyası doldurulurken hata oluştu: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Dosya '%1' kötü oluşturulmuş. 'contents' veya 'filePath' üyeleri dizisi " "eksik." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Hatalı biçimlendirilmiş dosya girişi: Dosya adı / içerik eksik veya diziler " "yok:\n" "%1" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "%1 dizininde hatalı biçimlendirilmiş dosya girişi: Bir nesne değil." #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "'dosyalar' üyesi bir dizi değil." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "\"dosyalar\" üyesi eksik." #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "'anaDosya' üyesi 'dosyalar' içinde bir girdiye başvurmaz." #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "'mainFile' üyesi bir dizge olmalıdır." #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "Yanıt, üst düzeyde bir JSON nesnesi olmalıdır." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Komut dosyası çıktısı:\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Sapma %L1 'de hatayı ayrıştır:' %2 '\n" "Ham JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Molekül gösterimi dizgeye kaydedilirken hata oluştu: Tanınmayan dosya " "biçimi: %1" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Dizgeye molekül gösterimi kaydedilirken hata oluştu: %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Cjson nesnesi oluşturulurken hata oluştu: Göreli konumdaki ayrıştırma hatası " "%1: %2\n" "Ham JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Hata oluşturucu cjson nesnesi: Ayrıştırılmış JSON bir nesne değil:\n" "%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "Girdi Oluşturucu (hata)" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "%1 Girdi Üreteci" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Devam et" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Kapat" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Bilinmeyen" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "Aşağıdaki dosya değiştirildi:\n" "\n" "%1\n" "\n" "Yeni geometriyi veya iş seçeneklerini yansıtmak için değişikliklerinizin " "üzerine yazmak ister misiniz?" msgstr[1] "" "Aşağıdaki dosyalar değiştirildi:\n" "\n" "%1\n" "\n" "Yeni geometriyi veya iş seçeneklerini yansıtmak için değişikliklerinizin " "üzerine yazmak ister misiniz?" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Değiştirilmiş girdi dosyalarının üzerine yazılsın mı?" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "Giriş oluşturma sırasında sorunlar oluştu:" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "Kaydedilecek giriş dosyası yok!" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "MoleQueue'ye bağlanılamıyor" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "MoleQueue sunucusuna bağlanılamıyor. Lütfen çalıştığından emin olun ve " "tekrar deneyin." #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "%1 Hesaplamasını Gönder" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "İş Başarısız Oldu" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "İş başarıyla tamamlanmadı." #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "Komut dosyası şu uyarıları döndürür:\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "&Uyarıları Gizle" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "&Uyarıları Göster" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "Bir hata oluştu:" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "Çıktı dosya adını seç" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "Dahili hata: '%1' dosya adı için metin aracı bulunamadı" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Çıktı Hatası" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "%1 dosyasına yazılamadı." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Çıktı dizini seç" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Dizin mevcut değil!" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Dizin okunamıyor!" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: Dosyanın üzerine yazılacak." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: Dosya yazılabilir değil." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "Bilinmeyen bir hata nedeniyle giriş dosyaları yazılamıyor." #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Giriş dosyaları yazılamaz:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Giriş dosyaları yazılamaz:\n" "\n" "%1\n" "\n" "Uyarılar:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "Uyarı:\n" "\n" "%1\n" "\n" "Devam etmek ister misin?" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Giriş dosyalarını yaz" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "İşi Yapılandır" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "İş MoleQueue'ye gönderiliyor…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "İş Gönderme Zaman Aşımı" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro, MoleQueue'dan yanıt beklerken zaman aşımına uğradı." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "%1 “%2” işinin bitirilmesi bekleniyor…" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "Beklemeyi durdur" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "Tamamlanan iş bilgileri alınıyor…" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "İşe Erişim Zaman Aşımı" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Avogadro, MoleQueue'dan bitmiş iş ayrıntılarını beklerken zaman aşımına " "uğradı." #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "İş Gönderme Hatası" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "İş MoleQueue tarafından reddedildi: %1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Program seçilmedi." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "Lütfen \"Sıra ve Program\" listesinden hedef programı seçin." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "İstemci, işi MoleQueue'ye gönderemedi." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "İç hata." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Program seçimi çözülemiyor. Bu bir hata." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "BackgroundFileFormat'da molekül ayarlanmadı!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Arka Plan Dosya Biçiminde Io::FileFormat ayarlanmadı!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "BackgroundFileFormat'da dosya adı ayarlanmadı!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "Yatay Böl" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "Dikey Böl" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Hidrojen" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Helyum" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Lityum" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Berilyum" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Bor" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Karbon" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Nitrojen(Azot)" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Oksijen" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Flor" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Sodyum" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnezyum" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Alüminyum" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silisyum" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Fosfor" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Kükürt" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Klor" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Potasyum" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Kalsiyum" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Skandiyum" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titanyum" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadyum" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Krom" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Manganez" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Demir" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Kobalt" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nikel" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Bakır" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Çinko" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Galyum" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germanyum" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsenik" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selenyum" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Brom" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Kripton" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidyum" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Stronsiyum" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "İtriyum" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirkonyum" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niyobyum" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molibden" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Teknesyum" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Rutenyum" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rodyum" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Paladyum" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Gümüş" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Kadmiyum" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "İndiyum" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Kalay" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Antimon" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Tellür" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "İyot" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Ksenon" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Sezyum" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Baryum" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantan" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Seryum" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodim" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodimyum" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Prometyum" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samaryum" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Evropiyum" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinyum" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbiyum" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Disprosyum" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmiyum" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbiyum" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Tulyum" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "İterbiyum" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutesyum" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafniyum" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantal" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Tungsten" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Renyum" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmiyum" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "İridyum" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platin" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Altın" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Cıva" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Talyum" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Kurşun" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bizmut" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonyum" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astatin" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Fransiyum" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radyum" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Aktinyum" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Toryum" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protaktinyum" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uranyum" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptünyum" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plütonyum" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Amerikyum" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Küriyum" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkelyum" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Kaliforniyum" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Aynştaynyum" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermiyum" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelevyum" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelyum" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Lavrensiyum" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherdfordiyum" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubniyum" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgiyum" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bohriyum" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassiyum" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitneriyum" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtiyum" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Röntgenyum" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Kopernikyum" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Nihoniyum" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Flerovyum" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Moskoviyum" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Livermoryum" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Tennesin" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Oganesson" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "Gözat" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "Dosya seç:" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "Çalıştırma dosyasını seçiniz:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "Seçili dosya için uygun bir dosya okuyucu bulunamıyor." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "Dosya uzantısı eksik, bu nedenle format belirlenemiyor Eklemek istiyor " "musunuz?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "Seçilen format için uygun bir dosya yazıcısı bulunamadı." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "işleyiciler" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "işleyici" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "okuyucular" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "oku" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "yazarlar" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "yaz" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "Bu biçimi %2 yapabilen birden çok %1 bulundu. Hangisi kullanılmalı?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "Bütün dosyalar" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "Desteklenen tüm formatlar" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "Molekül gösterimini okuma hatası: Tanınmayan dosya formatı: %1" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Molekül gösterimi dizgeye yazılırken hata oluştu: Tanınmayan dosya biçimi: %1" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Dizgeye molekül gösterimi yazılırken hata oluştu: %1" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "'userOptions' eksik." #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "'%1' seçeneği bir nesneye başvurmuyor." #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type', '%1' seçeneği için bir dizge değil." #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "'%1' seçeneği bulunamadı." #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "Sekme %1" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Başlık" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "Dosya Adı Tabanı" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "İşlemci Çekirdekleri" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "Hesaplama Türü" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "Teori" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Temel" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "Yük" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "Çokluk" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "Hata: '%1' anahtarı için değer nesne olmalıdır." #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "'%2' seçeneği için tanınmayan seçenek türü '%1'." #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "'%1' seçeneği için varsayılan ayar hatası. Hatalı widget türü." #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "'%1' seçeneği için varsayılan ayar hatası. Hatalı varsayılan değer:" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "'%1' seçeneği için varsayılan ayar hatası. Değerden geçerli birleşik giriş " "dizini bulunamadı:" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "'%1' seçeneği için collectOptions içinde işlenmemiş widget." #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "[molekül yok]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "Katman %1" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Top ve Çubuk" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Karikatürler" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Yakın Temaslar" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Kristal Kafes" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Kuvvet" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "Etiketler" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Meyan kökü" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "Ağlar" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "Kovalent Olmayan" #: qtgui/layermodel.cpp:156 #, fuzzy #| msgid "QTAIM" msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM (MAKT)" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Simetri Unsurları" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 #, fuzzy msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Telekafes" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "Adsız" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "Yeni bir görünüm oluştur" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Periyodik Cetvel" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "'%1 %2' komut dosyası çalıştırılırken hata oluştu: Başlatma için bekleme " "süresi doldu (%3)." #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "'%1 %2' komut dosyası çalıştırılırken hata: stdin'e yazılamadı (len = %3, %4 " "bayt yazdı, QProcess hatası: %5)." #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "'%1 %2' komut dosyası çalıştırılırken hata oluştu: Bitiş için bekleme süresi " "doldu (%3)." #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "'%1 %2' komut dosyası çalıştırılırken hata: Anormal çıkış durumu %3 (%4: " "%5)\n" "\n" "Çıktı:\n" "%6" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "Uyarı '%1'" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "Betik başlatılamadı." #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "Komut dosyası çöktü." #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "Komut dosyası zaman aşımına uğradı." #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "Okuma hatası." #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "Yazma hatası." #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "Bilinmeyen hata." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Katmanları Değiştir" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Katmanı Kaldır" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Katman Bilgisini Kaldır" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Katman Ekle" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Katman Bilgisi Ekle" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "Katmanı Değiştir" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Atom Ekle" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Atomu Kaldır" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "Atomları Temizle" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Hidrojenleri ayarla" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Elementleri Değiştir" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Elementi Değiştir" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "Atom Hibridizasyonunu Değiştir" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "Atom Resmi Yükünü Değiştir" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "Atom Rengini Değiştir" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "Atom Katmanını Değiştir" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Bağ Ekle" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "Bağı Kaldır" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "Bağları Temizle" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "Bağ Sıralarını Ayarla" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Bağ Sırasını Değiştir" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "Bağları Güncelle" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "Bağı Güncelle" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "Birim Hücre Ekle…" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "Birim Hücresini Kaldır" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "Birim Hücresini Düzenle" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "Atomları Hücreye Sar" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "Hücre Hacmini Uyarla" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "Süper Hücre Oluştur" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "Niggli Redüksiyon" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "Standart Yerleşime Döndür" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "Temel Ögeye İndirge" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "Hücreyi Konvansiyonelleştirin" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "Hücreyi Simetrikleştir" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Birim Hücreyi Doldur" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "Hücreyi Asimetrik Birime İndirge" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "Atom Konumlarını Değiştirme" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "Atom Konumunu Değiştir" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "Atom Etiketini Değiştir" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "Seçilenleri Değiştir" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Molekülü Değiştir" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "Ayarlar" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "Betik yüklenemiyor %1" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "%2 dizininde %1 komut dosyası olup olmadığı kontrol ediliyor" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3DMol HTML Bloğu." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Dosya" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "&Dışa Aktar" #: qtplugins/3dmol/3dmol.h:42 #, fuzzy msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Yapı" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Hizala" #: qtplugins/aligntool/aligntool.cpp:51 #, fuzzy msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" "Molekülleri Hizala\n" "\n" "Sol Fare: En fazla iki atom seçin.\n" "\tİlk atom orijinde ortalanır.\n" "\tİkinci atom seçilen eksene hizalanır.\n" "Sağ Fare: Hizalamayı sıfırlayın.\n" "Çift Tıklama: \tAtomu orijinde ortalar." #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "X Ekseni:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Başlangıçta Hizala" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "Eksene Hizala" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "Atomu orijinde ortalayın." #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "Atomu belirtilen eksene hizalamak için molekülü döndürün." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Hizalama aracı" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Molekülleri bir Kartezyen eksene hizalama" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "APBS'yi çalıştır…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Çıktı Dosyasını Aç…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "&Girdi" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "Çıktı Dosyasını Aç" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX Dosyası (*.dx)" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "G/Ç Hatası" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "Yapı dosyası okunurken hata oluştu (%1)." #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "OpenDX Hatası" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "OpenDX dosyası okunurken hata oluştu: %1" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "OpenDX dosyası okunurken hata oluştu: Küp bulunamadı" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "APBS yardımcı programlarıyla etkileşim kurun." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "PDB Dosyası Aç" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB Dosyaları (* .pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "PQR Dosyası Aç" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR Dosyaları (* .pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Hata" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "APBS çalıştırken hata oluştu: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Lütfen PDB dosyasını belirtin" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "APBS Giriş Dosyasını Kaydet" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "Başarı" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Giriş dosyası '%1' e yazılmış" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "Özel Renge Göre…" #: qtplugins/applycolors/applycolors.cpp:51 #, fuzzy msgid "By Atomic Index…" msgstr "Atom İndeksine Göre…" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "Mesafeye göre…" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "Elemente Göre" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "Zincire Göre" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "Kısmi Talep ile…" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "İkincil Yapıya Göre" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "Amino Aside Göre" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "Şekil Düzenine Göre" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "Isı" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "Sıcak" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "Gri" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "Cehennem" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "Plazma" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "Spektral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "Soğuk sıcak" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "Denge" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Mavi-Koyu Kırmızı" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "Atomlara ve kalıntılara renk düzenleri uygula." #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Görünüm" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "Atomları Renklendir" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "Kalıntıları Renklendir" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "Renk Haritasını Seç" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "Renk Haritası:" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "Renkleri Uygula" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Atom ölçeği" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Bağ ölçeği" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "Opaklık" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Çoklu bağları göster" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Hidrojenleri göster" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Atomları küre, bağları silindir olarak işle." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Bağ Merkezli Yönlendirme" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "%L1°" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "%L1 Å" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Bağ merkezli manipülasyon aracı." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Bağ uzunluklarını ve açılarını değiştirerek molekül geometrisini düzenlemek " "için kullanılan araç." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Atomları Bağla" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Bağları Kaldır" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Bağ Oluşturmayı Yapılandır…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "Seçilen Atomları Bağla" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "Bağ" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "Tüm atomlardan veya seçilen atomlardan bağları kaldırın." #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "Tüm atomlar veya seçilen atomlar arasında bağlar oluşturun." #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Bağ oluşturma" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Bağlama işlemlerini gerçekleştirin." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "Omurga" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "İz" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Tüp" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Şerit" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Basit Karikatür" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Karikatür" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "İp" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Biyomolekül şeritlerinin / karikatürlerinin gösterimi." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Ağırlık Merkezi Ekle" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Kütle Merkezi Ekleme" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Dikme Ekle" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "Ağırlık Merkezi" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Merkezleri ve kütle merkezini ekleyin." #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "Azami mesafe:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Çizgi genişliği:" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Atomlar arasındaki yakın temasları görüntüle." #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "Temas" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "Tuz Köprüsü" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "İtici" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "Renk Opaklığı Haritasını Düzenle…" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Eklentiler" #: qtplugins/coloropacitymap/coloropacitymap.h:24 #, fuzzy msgid "ColorOpacityMap" msgstr "Renk Opaklığı Haritasi" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "Betikler" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "'%1' çıktı dosyası okunurken hata oluştu:\n" "%2" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "%1 işleniyor" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "Python yorumlayıcısının yolunu ayarlayın:" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Harici komut dosyalarını çalıştırmak için python yorumlayıcısını seçin.\n" "Herhangi bir değişikliğin etkili olması için Avogadro yeniden " "başlatılmalıdır." #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "Komut betikleri" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "Harici komut dosyası komutlarını çalıştırın" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "Python Ayarları…" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "Python İndir" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Birçok Avogadro özelliği için Python kullanılır. Python'u indirmek ister " "misiniz?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Python ortamlarını ayarlayın." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "Diğer…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Atomik &Koordinat Düzenleyicisi…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Koordinat düzenleyicisi" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Atomik koordinatların metin düzenlemesi." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Değişikliklerin üzerine yazılsın mı?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "Metin belgesi değiştirildi. Değişikliklerinizi atmak ve mevcut moleküle geri " "dönmek ister misiniz?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Satırda çok az giriş var." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Geçersiz element adı." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Element adı." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Geçersiz element simgesi." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Element simgesi." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "Geçersiz atom etiketi." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Geçersiz atom indeksi." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Atom indeksi." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Geçersiz atom numarası." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Atom numarası." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Geçersiz koordinat." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X koordinatı." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y koordinatı." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z koordinatı." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' çapraz koordinatı." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' çapraz koordinatı." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' çapraz koordinatı." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Geometri uygulanırken hata oluştu" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Geometri belirtimi ayrıştırılamadı. Vurgulanan hataları düzeltip tekrar " "deneyin.\n" "\n" "(İpucu: Hatanın açıklaması için fareyi kırmızı metnin üzerinde tutun.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Atomik Koordinatları Düzenle" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Özel" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ biçimi (simgeler)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ formatı (isimler)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ biçimi (atom numaraları)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Çapraz koordinatlar (simgeler)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Çapraz koordinatlar (atom numaraları)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "GAMESS formatı (semboller)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "GAMESS formatı (isimler)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Turbomole biçimi" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "Kopyala" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "InChl" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "Kes" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "Temizle" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "&Yapıştır" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "&Düzen" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "Molekülü Kırpma Hatası" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "Pano verileri oluşturulurken hata meydana geldi." #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Çıktı biçimi: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Okuyucu hatası:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "Molekülü Yapıştırma Hatası" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Molekül yapıştırılamıyor: Pano boş!" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "Pano verilerini okuma hatası." #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Algılanan biçim: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Kopyala ve Yapıştır" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Pano ile etkileşim kurun." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Enerji" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "Enerji ve Kuvvetler" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "Molekül Dinamikleri" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "Geometri İyileştirmesi" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "Elektronik yapı yöntemleri (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "Molekül Mekanikleri" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Hibrit kuantum klasik (Henüz desteklenmiyor)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "HİÇBİRİ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "ATOMİK" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "ÇEKİRDEK" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "YOĞUNLUKLAR" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "RASTGELE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "TEKRAR BAŞLAT" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "SEYREK" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "En dik iniş" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "Girdi dosyası değiştirildi. Yeni geometriyi veya iş seçeneklerini yansıtmak " "için değişikliklerinizin üzerine yazmak ister misiniz?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "Değiştirilmiş girdi dosyasının üzerine yazılsın mı?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Kristali Panodan İçe Aktar…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Birim Hücresini Düzenle…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Atomları Birim Hücreye Sar" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Standart &Yerleşime Döndür" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Hücre &Hacmini Uyarla…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "&Süper Hücre Oluştur…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Hücre İndirge (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "&Kristal" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Kaldır &Birim Hücre" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Ekle &Birim Hücre" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "Kristali Panodan İçe Aktar" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "Atomları birim hücreye sar." #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "Birim hücreyi standart oryantasyona döndür." #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "Niggli Kristali Azalt" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "Birim hücre zaten indirgendi." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Kristal" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Kristale özgü düzenleme / analiz araçları." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Çizgi rengi:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Birim hücre sınırlarını görüntüle." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Metin Ayrıştırılamıyor" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Verilen formatla veriler okunamadı." #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "Birim hücre yok." #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "Özel Elementleri Yeniden Düzenle…" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "Geçerli moleküldeki özel öğe türlerini değiştirin." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Özel Elementler" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Çiz" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Atom Çiz" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "Bağ Türünü Değiştirin" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "Bağı Kaldır" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Mesafe:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "%1 %L2" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Düzenleyici aracı" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "Kendiliğinden" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Tek" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Çift" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Üçlü" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "&İçe Aktar" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy #| msgid "Fetch from PDB" msgid "Fetch PDB" msgstr "PDB Al" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB Kodu" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "İndirilecek kimyasal yapı." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Geçersiz PDB Kodu" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "PDB kodu tam olarak 4 karakterden oluşmalı." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "PDB kodunun ilk karakteri 1'den 9'a kadar bir rakam olmalı." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "%1 için sorgulanıyor" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Ağdan İndirme Başarısız" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Ağ zaman aşımı veya başka bir hata." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Belirtilen molekül bulunamadı : %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "PDB'den Al" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "Odaklamayı Bırak" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Odakla" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Görüntüyü belirli özelliklere odakla." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Molekülün atomları için kuvvet alanı görselleştirmelerini işle." #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "Geometriyi İyileştir" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "Kuvvetler" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy #| msgid "Configure Bonding…" msgid "Configure…" msgstr "Yapılandır…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy #| msgid "Import Selected Atoms" msgid "Freeze Selected Atoms" msgstr "Seçilen Atomları Düzelt" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate Energy" msgid "&Calculate" msgstr "Hesapla" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "Optimizasyon için atom ihtiyacı karşılanmadı" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "%1 Enerji = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield optimization" msgstr "Kuvvet Alanı Optimizasyonu" #: qtplugins/forcefield/forcefield.h:50 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" msgstr "Kuvvet Alanı Optimizasyonu" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Otomatik algılama (%1)" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "GAMESS girdisi" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "GAMESS için girdi oluşturun." #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "Tek Nokta" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Denge Geometrisi" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Geçiş Durumu" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Frekanslar" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Çekirdek Potansiyeli" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Gaz" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Su" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Tekli" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Çiftli" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Üçlü" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Dikte" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Katyon" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Nötr" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Anyon" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianyon" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "GAMESS girdi dosyasını kaydet" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "GAMESS Hesaplaması Gönder" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "Hidrojenleri &ayarla" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Hidrojenleri Ekle" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "&Fazla Hidrojenleri Kaldır" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "Tüm Hidrojenleri &Kaldır" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "Mevcut molekülden hidrojen ekleyin / çıkarın." #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "&Hidrojenler" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Hidrojenler" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "PQR'den İçeri Aktar" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "PQR'den molekül indir." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNA|RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Ekle" #: qtplugins/insertdna/insertdna.cpp:79 #, fuzzy #| msgid "&Insert" msgid "Insert DNA/RNA…" msgstr "Ekle DNA|RNA…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "Urasil" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "Timin" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "Molekül Ekle…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "3D molekül üretiliyor…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecular Graph…" msgid "Molecule…" msgstr "Molekül…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Kristal…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "Dosya okunurken hata oluştu (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Parça Ekle" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Parça Ekle" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Daha büyük moleküller inşa etmek için molekül parçaları ekle." #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "Renk:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "Merkeze uzaklık:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Hiçbiri" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "İndeks" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "Eşsiz Kimlik" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Element" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "Atom Etiketi:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "Kimlik" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "Ad" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Top ve çubuk biçemlerinde etiketleri görüntüleyin." #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "Etiketleri Düzenle" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "Etiket Oluştur" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "Etiket düzenleme aracı" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Ön izleme metnini güncellemek istiyor musunuz, Lammps girdi destesinin ön " "izleme bölmesinde yapılan tüm değişiklikler kaybedilecek?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "InChl…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "Tanımlayıcı bulunamadı!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "Satır biçimi okuyucu bulunamadı!" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "İstenen biçim okuyucusu yüklenemiyor." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" "Tek satırlı molekül tanımlayıcılarını bir giriş iletişim kutusu aracılığıyla " "yükleyin." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Düzenleme aracı" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Ölçü" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Açı:" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "Açılar:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Ölçüm aracı" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 #, fuzzy #| msgid "[no molecule]" msgid "unknown molecule" msgstr "bilinmeyen molekül" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy #| msgid "Molecular Graph…" msgid "&Molecular…" msgstr "&Molekül…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "Bir molekülün genel özelliklerini görüntüleyin." #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Özellikler" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Molekül Özellikleri" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Molekül Özellikleri" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 #, fuzzy #| msgid "WFN files (*.wfn);;All files (*.*)" msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV dosyaları (*.csv);; Tüm dosyalar (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy #| msgid "&Export" msgid "Export…" msgstr "Dışa Aktar…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Gezinme" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Gezinme aracı" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Kimyasal Ad" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Çevrimiçi veritabanları, sorgu yapıları vb. ile etkileşim kurun." #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "Açı toleransı:" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "Kuvvet Alanını Yapılandır…" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "Uyumlu Arama…" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "Bağları Algıla" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "pH için Hidrojenleri Ekle…" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "Hidrojenleri Kaldır" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "Open Babel dosya biçimleri eklenmeye hazır değil." #: qtplugins/openbabel/openbabel.cpp:203 #, fuzzy #| msgid "Loading molecule from CML…" msgid "Loading molecule from Open Babel…" msgstr "Open Babel'den molekül yükleniyor…" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Dahili bir hata oluştu: OpenBabel::readMolecule çağrıldı, ancak " "ayrıştırılacak obabel çıktısı yok!" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "Open Babel (%1) çalıştırılırken bir hata oluştu." #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "Openbabel çıktısı ayrıştırılırken hata oluştu." #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Desteklenen güç alanları listesi alınırken bir hata oluştu. ('%1') " "kullanarak." #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Molekül geçersiz. Geometri iyileştirilemiyor." #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Geometriyi Optimize Et (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 #, fuzzy #| msgid "Generating MDL…" msgid "Generating…" msgstr "oluşturuluyor…" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 #, fuzzy #| msgid "" #| "An internal error occurred while generating an CML representation of the " #| "current molecule." msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Mevcut molekülün Open Babel gösterimini oluştururken dahili bir hata oluştu." #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "%1 başlatılıyor…" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Adım %1 / %2\n" "Mevcut enerji: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "Molekül güncelleniyor…" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "Open Babel çıktısı yorumlanırken hata oluştu." #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "obabel çıktısındaki atom sayısı (%1), orijinal moleküldeki atom sayısıyla " "(%2) eşleşmiyor." #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "Open Babel ile dosya açılamıyor." #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Geçersiz molekül: Bağlar algılanamıyor." #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "XYZ gösterimi oluşturuluyor…" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "XYZ dizgesi oluşturulurken hata oluştu." #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 #, fuzzy #| msgid "Updating molecule from CML…" msgid "Updating molecule from Open Babel…" msgstr "Open Babel'den molekül güncelleniyor…" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "Open Babel ile hidrojen eklenemiyor." #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "Hidrojenler Ekleniyor (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "Open Babel girdisi oluşturuluyor…" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "Open Babel girdisi oluşturulurken hata oluştu." #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "%1 çalıştırılıyor…" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "pH için hidrojenleri ekle" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "obabel girdisi oluşturuluyor…" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "Open Babel ile hidrojenler kaldırılamıyor." #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "Hidrojenler Kaldırılıyor (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "obabel çıktısı okunuyor…" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Open Babel zaten çalışıyor. Diğer işlemin tamamlanmasını bekleyin ve tekrar " "deneyin." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "&OpenMM Betiği…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "OpenMM girdi destesi ön izleme bölmesindeki değişiklikleri kaybederek, ön " "izleme metnini güncellemek istiyor musunuz?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "Doğru" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "Referans Eksenleri" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "Referans Eksen Kaplaması" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "Ekranın köşesinde referans eksenleri işleyin." #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "Oynatıcı" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "Oynat" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Dur" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "Kare hızı:" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "Kare:" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "Dinamik bağ?" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "Film Kaydet…" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "Film (*.mp4)" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "Biteşlem Grafik Dışa Aktar" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Film (*.mp4);; Film (*.avi);; GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "GIF FPS desteği uyarısı" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "GIF dosya biçimi, 100 FPS'nin üzerindeki kare hızlarını desteklemez." #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "Film (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "Hata: videoya kare eklenemiyor." #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "%1 dosyası kaydedilemiyor." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Oynatıcı aracı" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Yörüngeleri oynatın" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "Çift Dağıtım Fonksiyonunu Çiz…" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "PDF kalıbı oluşturulamadı" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "Hata mesajı: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Çift Dağıtım İşlevi eğrisi oluşturun ve çizin." #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "RMSD eğrisini çiz…" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "RMSD eğrisi oluşturun ve çizin." #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "Teorik XRD Deseni Çiz…" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "XRD deseni oluşturulamadı" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "Molekül CIF formatına dönüştürülemedi." #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "GenXrdPattern'den okunan veriler bozuk görünüyor!" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "Hata: genXrdPattern çalıştırılabilir dosyası bulunamadı!" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "Hata: " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "ObjCryst++ kullanarak teorik bir XRD deseni oluşturun ve çizin." #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 #, fuzzy #| msgid "VRML Render…" msgid "PLY Render…" msgstr "PLY İşleme…" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "Dosyayı Kaydet" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 #, fuzzy #| msgid "Render the scene using VRML." msgid "Render the scene using PLY." msgstr "Sahneyi PLY kullanarak işleyin." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray İşleme…" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "POV-Ray kullanarak sahneyi işleyin." #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Değerlik" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "Renk" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Atom" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Tip" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Atom Bitir" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Bağ SIrası" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Uzunluk (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "İkincil Yapı" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "Heterojen" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Atom 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Köşe" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Atom 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "Açı (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Atom 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Atom 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Atom Özellikleri…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Bağ Özellikleri…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Açı Özellikleri…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Bükülme Özellikleri…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Kalıntı Özellikleri…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Özellikler" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Atom Özellikleri" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Bağ Özellikleri" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Açı Özellikleri" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Bükülme Özellikleri" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Uydurma Özellikleri" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "Kalıntı Özellikleri" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM (MAKT)" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Temel ögeleri QTAIM özelliklerini kullanarak işler" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Molekül Grafiği…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "Atomik Yük…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "WFN Dosyasını Aç" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN dosyaları (*.wfn);; Tüm dosyalar (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM uzantısı" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "Ortala" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "Görünümü Eksene Hizala" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "Görünümü eksene hizala." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Görünümü Sıfırla" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "Komut Dosyası Biçimleri" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "Harici komut dosyalarından dosya okuyucu / yazıcılar yükleyin." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Tümünü Seç" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Tümünün Seçimini Kaldır" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Element ile seç…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Atom dizini ile seç…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Kalıntı ile seç…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Seç" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "Seç" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Seçim" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "Atomları Boya" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 #, fuzzy #| msgid "Layer" msgid "New Layer" msgstr "Yeni Katman" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "Uzay Grubu Algıla…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "Birim Hücreyi Doldur…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "Asimetrik Birime İndirge" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "Toleransı Ayarla…" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "Uzay Grubu" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Uzay grubu algılama başarısız oldu.\n" "Farklı bir tolerans ile tekrar denemek ister misiniz?" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "İlkel İndirgeme" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "Tolerans şu anda %1 olarak ayarlanmıştır.\n" "Bu toleransla devam edilsin mi?" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "Uluslararası" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "Hall" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "Hermann-Mauguin" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "Uzay Grubu Seç" #: qtplugins/spacegroup/spacegroup.h:24 #, fuzzy msgid "SpaceGroup" msgstr "Uzaygrubu" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "Kristaller için uzay grubu özellikleri." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgctxt "colormap" #| msgid "Spectral" msgid "Spectra" msgstr "Spektral" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "Kızılötesi" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 #, fuzzy #| msgctxt "colormap" #| msgid "Spectral" msgid "Raman Spectra" msgstr "Raman Spektral" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 #, fuzzy #| msgctxt "colormap" #| msgid "Spectral" msgid "NMR Spectra" msgstr "NMR Spektral" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Enerji (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Simetri" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Molekül Yörüngesi" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Elektron Yoğunluğu" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "Dosyadan" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "Yüzeyleri oluştur…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "Van der Waals yüzeyini görüntüle." #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "Molekül yörüngesini görüntüle." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "Elektron yoğunluğunu görüntüle." #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "Elektron yoğunluğu hesaplanıyor" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "Filmi Dışa Aktar" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Film MP4 (* .mp4) ;; Film AVI (* .avi) ;; GIF (* .gif)" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Yüzeyler" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Yüzeyleri okuyun ve işleyin." #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "Sınıf" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "Simetri…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Simetri işlevselliği sağlayın." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "Grup %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "VdW kürelerinin basit gösterimi." #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "Titreşim Modları…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Titreşim modunu ayarla." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibrational Modes…" msgid "Vibrations" msgstr "Titreşim" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "Titreşim modlarını göster." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "VRML İşleme…" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Sahneyi VRML kullanarak işleyin." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Molekülü bir telekafes olarak oluşturun." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "Hata: %1 başlatılamadı" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Diyalog" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "Yer tutucu metin…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "Hata Ayıklama Betiği…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "Hesaplamayı Gönder…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Girdiyi Kaydet…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Sıra ve Program:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "Yenile" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" "

      Bu iş için ayrılacak işlemci çekirdeği sayısı.

      " #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "İşlemci çekirdekleri:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" "

      İş tamamlandıktan sonra uzaktaki çalışma dosyalarını " "sil. Sonuçlar yine de ilk olarak yerel MoleQueue iş önbelleğine " "kopyalanacaktır.

      " #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Tamamlandığında uzak dosyaları sil:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" "

      Bu işin varsayılan olarak MoleQueue GUI'de " "gösterilmesini önlemek için denetleyin.

      " #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "MoleQueue'de işi gizle:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" "

      İşin durumu değiştiğinde bir sistem açılır bildirimi " "göster.

      " #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "İlerleme bildirimlerini göster:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Bittiğinde çıktıyı aç:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "Parça Ekle…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Yapı Girdi Dosyası" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "PDB'den Giriş Oluştur" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB Dosyası:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Güç Alanı:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Mevcut PQR Dosyasını Yükle" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR Dosyası:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "APBS Giriş Dosyası" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "APBS'yi çalıştır" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Yapı Dosyasını Yükle" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Küp Dosyasını Yükle" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial Charge" msgid "Partial Charges" msgstr "Kısmi Yük" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "Küp" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "Yüzey oluşturmayı etkinleştir" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Mesafe Birimi:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Bİçim:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "Yapıştır" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy #| msgid "Save File" msgid "Save File…" msgstr "Dosyayı Kaydet…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Birim Hücre Hacmi Uyarla" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Bağ sırası:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "Enerji yakınsaması:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "isim" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Formül:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other…" msgid "Other" msgstr "Diğer" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Tek" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Çift" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy #| msgid "Generating MDL…" msgid "Generate…" msgstr "oluşturuluyor…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Uyumlu Arama" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Sistematik rotor arama" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Rastgele rotor arama" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Ağırlıklı rotor arama" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy #| msgid "Energy convergence:" msgid "Convergence:" msgstr "Yakınsaması:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Kuvvet Alanı:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "Referans" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "tek" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "çift" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Görünüm" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) #, fuzzy #| msgid "&Import" msgid "&Import..." msgstr "&İçe Aktar" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Rengi Ayarla..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Dışa Aktar..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) #, fuzzy #| msgid "Close" msgid "&Close" msgstr "Kapat" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " (" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Açık" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) #, fuzzy #| msgid "Center" msgid "Centers" msgstr "Ortala" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "Tip:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) #, fuzzy #| msgid "Import Crystal from Clipboard" msgid "From Clipboard" msgstr "Panodan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy #| msgid "Group %1" msgid "Groups" msgstr "Grup" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Group %1" msgid "Group:" msgstr "Grup:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" "

      Bu onay kutusu işaretlenmeden önce Fermi seviyesi " "bilinmelidir. Fermi seviyesini bir durum yoğunluğu hesaplaması yaparak ve " "elde edilen veriyi görüntüleyerek bulabilirsiniz (verinin üzerinde yer " "almaktadır). Ek olarak durum yoğunluğu hesaplaması yapıldığında elde " "edilecek sonuç buradaki Fermi seviyesi değeri olarak otomatik olarak " "atanacaktır.

      Eğer bu onay kutusu işaretliyse doğru Fermi seviyesinin " "sağdaki döndürme kutusunda seçildiğinden emin olunuz.

      Varsayılan: off" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" "

      Bu iş için ayrılacak işlemci çekirdeği sayısı. " #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Boyut Sayısı:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Osman Tosun,Yahuda,aLsanCaK,hknrgl, ,Launchpad " "Contributions:,Osman Tosun,Yahuda,aLsanCaK,hknrgl,huseyinkozan, ,Launchpad " "Contributions:,Efe Çiftci,Yahuda,aLsanCaK,hknrgl,huseyinkozan, ,Launchpad " "Contributions:,Efe Çiftci,Macky,Osman Tosun,Yahuda,aLsanCaK,hknrgl," "huseyinkozan, ,Launchpad Contributions:,Efe Çiftci,Macky,Osman Tosun,Yahuda," "aLsanCaK,hknrgl,huseyinkozan, ,Launchpad Contributions:,Efe Çiftci,Macky," "Osman Tosun,Yahuda,aLsanCaK,hknrgl,huseyinkozan, ,Launchpad Contributions:," "Efe Çiftci,Macky,Osman Tosun,Yahuda,aLsanCaK,hknrgl,huseyinkozan, ,Launchpad " "Contributions:,Efe Çiftci,K. Deniz Ogut,Macky,Osman Tosun,Yahuda,aLsanCaK," "hknrgl,huseyinkozan, ,Launchpad Contributions:,Avogadro Team,Efe Çiftci,K. " "Deniz Ogut,Macky,Osman Tosun,Yahuda,aLsanCaK,hknrgl,huseyinkozan, ,Launchpad " "Contributions:,Avogadro Team,Efe Çiftci,K. Deniz Ogut,Macky,Osman Tosun," "Yahuda,aLsanCaK,hknrgl,huseyinkozan, ,Launchpad Contributions:,Abdurrahman " "OLĞAÇ,Avogadro Team,Cihan Ersoy,Efe Çiftci,Erkut Tiryakioglu,Hüseyin Kozan," "K. Deniz Ogut,Mustafa Yılmaz,Osman Tosun,Sinan Özgün,Yahuda,Yildiray Topcu," "aLsanCaK,ubuntuki, ,Launchpad Contributions:,Abdurrahman OLĞAÇ,Avogadro Team," "Cihan Ersoy,Efe Çiftci,Erkut Tiryakioglu,Hüseyin Kozan,K. Deniz Ogut,Mustafa " "Yılmaz,Osman Tosun,Sinan Özgün,Yahuda,Yildiray Topcu,aLsanCaK,haydar," "ubuntuki, ,Launchpad Contributions:,Abdurrahman OLĞAÇ,Avogadro Team,Cihan " "Ersoy,Efe Çiftci,Erkut Tiryakioglu,Geoff Hutchison,Hüseyin Kozan,K. Deniz " "Ogut,Kudret EMRE,Mustafa Yılmaz,Osman Tosun,Sinan Özgün,Yahuda,Yildiray " "Topcu,aLsanCaK,haydar,ubuntuki" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,rainman.neu@gmail.com,,,hknrgl@gmail.com,,,rainman.neu@gmail.com,,," "hknrgl@gmail.com,huseyinkozan@gmail.com,,,efeciftci@gmail.com,,,hknrgl@gmail." "com,huseyinkozan@gmail.com,,,efe.ciftci@linux.org.tr," "carl_friedrich_gauss_77@hotmail.com,rainman.neu@gmail.com,,,hknrgl@gmail.com," "huseyinkozan@gmail.com,,,efe.ciftci@linux.org.tr," "carl_friedrich_gauss_77@hotmail.com,rainman.neu@gmail.com,,,hknrgl@gmail.com," "huseyinkozan@gmail.com,,,efe.ciftci@linux.org.tr," "carl_friedrich_gauss_77@hotmail.com,rainman.neu@gmail.com,,,hknrgl@gmail.com," "huseyinkozan@gmail.com,,,efe.ciftci@linux.org.tr," "carl_friedrich_gauss_77@hotmail.com,rainman.neu@gmail.com,,,hknrgl@gmail.com," "huseyinkozan@gmail.com,,,efe.ciftci@linux.org.tr,," "carl_friedrich_gauss_77@hotmail.com,rainman.neu@gmail.com,,,hknrgl@gmail.com," "huseyinkozan@gmail.com,,,avogadro-devel@lists.sourceforge.net,efe." "ciftci@linux.org.tr,,carl_friedrich_gauss_77@hotmail.com,rainman.neu@gmail." "com,,,hknrgl@gmail.com,huseyinkozan@gmail.com,,,avogadro-devel@lists." "sourceforge.net,efe.ciftci@linux.org.tr,,carl_friedrich_gauss_77@hotmail.com," "rainman.neu@gmail.com,,,hknrgl@gmail.com,huseyinkozan@gmail.com,,," "abdurrahmanolgac@bireczaci.com,avogadro-devel@lists.sourceforge.net,,efe." "ciftci@linux.org.tr,,posta@huseyinkozan.com.tr,,apshalasha@gmail.com,rainman." "neu@gmail.com,para4360@gmail.com,,ytopcu@gmail.com,,,,," "abdurrahmanolgac@bireczaci.com,avogadro-devel@lists.sourceforge.net,,efe." "ciftci@linux.org.tr,,,,apshalasha@gmail.com,rainman.neu@gmail.com," "para4360@gmail.com,,ytopcu@gmail.com,,hhaydarakdag@gmail.com,,,," "abdurrahmanolgac@bireczaci.com,avogadro-devel@lists.sourceforge.net,,efe." "ciftci@linux.org.tr,,,,,kudretemre@hotmail.com,apshalasha@gmail.com,rainman." "neu@gmail.com,para4360@gmail.com,,ytopcu@gmail.com,,hhaydarakdag@gmail.com," #~ msgid "Partial Charge" #~ msgstr "Kısmi Yük" #, fuzzy #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Tahvil Merkezli Manipülasyon Aracı\n" #~ "\n" #~ "Sol Fare: Görünümü döndürmek için tıklayın ve sürükleyin.\n" #~ "Orta Fare: Yakınlaştırmak veya uzaklaştırmak için tıklayın ve " #~ "sürükleyin.\n" #~ "Sağ Fare: Görünümü taşımak için tıklayın ve sürükleyin.\n" #~ "Çift Tıklama: \tGörünümü sıfırlayın.\n" #~ "\n" #~ "Manipülasyon Düzlemini ayarlamak için bir Bağın üzerine Sol Tıklayıp " #~ "Sürükleyin:\n" #~ "Açıyı değiştirmek için Bağdaki Atomlardan birini Sol Tıklayıp Sürükleyin\n" #~ "Uzunluğu değiştirmek için Bağdaki Atomlardan birine Sağ Tıklayıp " #~ "Sürükleyin" #~ msgid "Animation Tool" #~ msgstr "Animasyon Aracı" #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals Küreleri" #, fuzzy #~| msgid "Optimize Geometry" #~ msgid "Geometry" #~ msgstr "Geometriyi İyileştir" #~ msgid "Add Unit Cell" #~ msgstr "Birim Hücresi Ekle" #~ msgid "By Atomic Index" #~ msgstr "Atom Dizinine Göre" #~ msgid "By Distance" #~ msgstr "Uzaklığa Göre" #, fuzzy #~| msgid "Select by Atom Index…" #~ msgid "Select Water…" #~ msgstr "Atom dizini ile seç…" #, fuzzy #~| msgid "Copy" #~ msgid "&Copy" #~ msgstr "Kopyala" #~ msgid "Molecule Name:" #~ msgstr "Molekül Adı:" #, fuzzy #~| msgid "Optimize Geometry" #~ msgid "Optimize" #~ msgstr "Geometriyi İyileştir" #~ msgid "ABPS Input (*.in)" #~ msgstr "ABPS Girişi (* .in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "Giriş oluşturucu komut dosyalarını çalıştırmak için kullanılan python " #~ "yorumlayıcısını seçin.\n" #~ "Herhangi bir değişikliğin etkili olması için Avogadro yeniden " #~ "başlatılmalıdır." #~ msgid "Set Python Path…" #~ msgstr "Python Yolunu Ayarla…" #~ msgid "Fragment…" #~ msgstr "Parçala…" #~ msgid "Record Movie..." #~ msgstr "Film Kaydet..." #, fuzzy #~| msgid "Other…" #~ msgid "Other..." #~ msgstr "Diğer…" #~ msgid "Client server operations." #~ msgstr "İstemci sunucu işlemleri." #~ msgid "S&erver" #~ msgstr "&Sunucu" #~ msgid "Connection failed" #~ msgstr "Bağlantı başarısız" #, qt-format #~ msgid "The connection to %2:%3 failed: connection refused." #~ msgstr "%2:%3 bağlantısı başarısız oldu: bağlantı reddedildi." #~ msgid "Remote service error" #~ msgstr "Uzaktan hizmet hatası" #, qt-format #~ msgid "Connection failed with: %1" #~ msgstr "Bağlantı başarısız oldu: %1" #, qt-format #~ msgid "clientServer/%1:%2/lastOpenDir" #~ msgstr "istemciSunucu/%1:%2/açılanSonDizin" #, qt-format #~ msgid "%1 (" #~ msgstr "%1 (" #, qt-format #~ msgid "*.%1" #~ msgstr "*. %1" #~ msgid "Client server" #~ msgstr "İstemci sunucusu" #~ msgid "Connection refused" #~ msgstr "Bağlantı reddedildi" #, qt-format #~ msgid "Connection to %2:%3 succeeded!" #~ msgstr "%2 ile bağlantı: %3 başarılı!" #~ msgid "Filename" #~ msgstr "Dosya adı" #~ msgid "Mongo Chem Server" #~ msgstr "Mongo Chem Sunucusu" #~ msgid "Interface with Mongo Chem Server." #~ msgstr "Mongo Chem Server ile Arayüz." #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Yapı Dosyasını Yükle" #~ msgid "Port" #~ msgstr "Bağlantı Noktası" #~ msgid "Navigate Back" #~ msgstr "Geri Git" #~ msgid "Navigate Forward" #~ msgstr "İleri Git" #~ msgid "OK" #~ msgstr "Tamam" #~ msgid "Files of type:" #~ msgstr "Dosya türü:" #~ msgid "Cancel" #~ msgstr "İptal" #~ msgid "Element & Ordinal" #~ msgstr "Element ve Sıra" #~ msgid "'c' coordinate." #~ msgstr "'c' koordinatı." #~ msgid "All files (*);;" #~ msgstr "Tüm Dosyalar (*);;" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "Rombohedral" #~ msgid "Layer" #~ msgstr "Katman" #, fuzzy #~| msgid "Insert Molecule…" #~ msgid "Insert Molecule..." #~ msgstr "Molekül Ekle…" #, fuzzy #~| msgid "Generating 3D molecule…" #~ msgid "Generating 3D molecule..." #~ msgstr "3D molekül üretiliyor…" #, qt-format #~ msgid "%1: File exists and is not writable." #~ msgstr "%1: Dosya var ve yazılabilir değil." #~ msgid "Simple display of Cartoons family." #~ msgstr "Karikatürler ailesinin basit gösterimi." #~ msgid "Error interpreting obabel CML output." #~ msgstr "obabel CML çıktısı yorumlanırken hata oluştu." #~ msgid "Error generating CML data." #~ msgstr "CML verileri oluşturulurken hata oluştu." #~ msgid "Run APBS..." #~ msgstr "APBS'yi çalıştır..." #~ msgid "Open Output File..." #~ msgstr "Çıktı Dosyasını Aç..." #~ msgid "Crystal..." #~ msgstr "Kristal..." #~ msgid "Write" #~ msgstr "Yaz" #~ msgid "SMILES..." #~ msgstr "SMILES..." #~ msgid "Add Hydrogens for pH..." #~ msgstr "pH için Hidrojenleri Ekle..." #~ msgid "Atom Properties..." #~ msgstr "Atom Özellikleri..." #~ msgid "Bond Properties..." #~ msgstr "Bağ Özellikleri..." #~ msgid "Angle Properties..." #~ msgstr "Açı Özellikleri..." #~ msgid "Torsion Properties..." #~ msgstr "Bükülme Özellikleri..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Molekük Özellikleri..." #~ msgid "Symmetry..." #~ msgstr "Simetri..." #~ msgid "Theory:" #~ msgstr "Teori:" #~ msgid "Default value missing for option '%1'." #~ msgstr "'%1' seçeneği için varsayılan değer eksik." #~ msgid "Distance: %L1 Å" #~ msgstr "Mesafe: %L1 Å" #~ msgid "Reset to Default Values" #~ msgstr "Varsayılan Değerlere Sıfırla" #~ msgid "Write files to disk..." #~ msgstr "Dosyaları diske yaz ..." #~ msgid "Rotatable" #~ msgstr "Döndürülebilir" #, fuzzy #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "Uydurucu %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "Uydurucu %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Açı:" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "Uydurucu %1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Bükülme %1" #, fuzzy #~ msgid "Torsion" #~ msgstr "Bükülme %1" #, fuzzy #~ msgid "No" #~ msgstr "Neon" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Girdi Üreteci..." #, fuzzy #~ msgid "Import" #~ msgstr "İçe Aktar" #~ msgid "Insert SMILES" #~ msgstr "SMILES Ekle" #~ msgid "Insert SMILES fragment:" #~ msgstr "SMILES parçası ekle" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "Kristal Yapıştır" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Daha büyük moleküller inşa etmek için molekül parçaları ekle" #~ msgid "Plugin Downloader" #~ msgstr "Eklenti İndirici" #~ msgid "E&xtensions" #~ msgstr "&Eklentiler" #~ msgid "Symmetry Properties..." #~ msgstr "Simetri Özellikleri ..." #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "Geometriyi &Optimize Et" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Geometrik Optimizasyon" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Hidrojenleri Ekle" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Yüzeyler" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "İndekse Göre Renklendir (kırmızı, turuncu, sarı, yeşil, mavi, mor)" #~ msgid "Color by Partial Charge" #~ msgstr "Kısmi Yüke Göre Renklendir" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Atomik Kısmı Yüke Göre Renklendir (mavi = pozitif, kırmızı = negatif)" #~ msgid "Set custom colors for objects" #~ msgstr "Nesneler için özel renkler belirle" #~ msgid "Color by distance from the first atom." #~ msgstr "İlk atomdan başlayarak uzaklığa göre renklendir." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Elemente Göre Renk (karbon = gri, oksijen = kırmızı, ...)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Kalıntıya Göre Renk (amino asit tipi, kuzu hastalığına ait,...)" #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS Şablonu:" #~ msgid "Highlight Color:" #~ msgstr "Vurgulama rengi:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "SMARTS Şablonu ile Renklendir" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Bir SMARTS şablonu ile eşleşen özellikleri vurgula." #~ msgid "Ununtrium" #~ msgstr "Ununtriyum" #~ msgid "Ununpentium" #~ msgstr "Ununpentiyum" #~ msgid "Ununseptium" #~ msgstr "Ununseptiyum" #~ msgid "Ununoctium" #~ msgstr "Ununoktiyum" #~ msgid "Engines" #~ msgstr "Motorlar" #~ msgid "Axes" #~ msgstr "Eksenler" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "" #~ "Primitifleri Toplar (Atomlar) ve Çubuklar (Bağlar) kullanarak kaplar" #~ msgid "Hydrogen Bond" #~ msgstr "Hidrojen Bağları" #~ msgid "Renders hydrogen bonds" #~ msgstr "Hidrojen bağlarını kaplar" #~ msgid "Select Atom Labels Color" #~ msgstr "Atom Etiketi Rengi Seç" #~ msgid "Select Bond Labels Font" #~ msgstr "Bağ Etiketi Fontu Seç" #~ msgid "Polygon" #~ msgstr "Çokgen" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Atomları dört yüzlü, sekiz yüzlü ve diğer çokgenler olarak kaplar" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Protein omurgasını şerit olarak kaplar" #~ msgid "Ring" #~ msgstr "Halka" #~ msgid "Renders rings with colored planes" #~ msgstr "Halkaları renklendirilmiş düzlemler olarak kaplar" #~ msgid "Simple Wireframe" #~ msgstr "Basit Telekafes" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "" #~ "Bağları tel (düz çizgi) olarak kaplar, büyük moleküller için uygundur" #~ msgid "Stick" #~ msgstr "Çubuk" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Elektron yoğunluğu, eşyüzey=%L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, eşyüzey = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Bağları tel (düz çizgi) olarak kaplar, büyük (biyo)moleküller için " #~ "uygundur" #~ msgid "Trajectory files" #~ msgstr "Yörünge dosyaları" #~ msgid "DL-POLY HISTORY files" #~ msgstr "DL-POLY GEÇMİŞ dosyaları" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr ".avi uzantısı ekleniyor" #~ msgid "Cannot read file format of file %1." #~ msgstr "%1 dosyasının dosya biçimi okunamıyor." #~ msgid "Read trajectory file %1 failed." #~ msgstr "%1 eğri dosyası okunamadı." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Geçerli bir .avi dosyası belirtilmeli." #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "GL aracı videoyu kaydetmek için düzgün bir şekilde hazırlanmamış" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "Geçersiz video dosya adı. Klasör adı dahil tam yolu içermeli" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Geçersiz video dosya adı. Klasör adı dahil tam yolu .avi ile bitecek " #~ "şekilde içermeli" #~ msgid "Could not determine format from filename: %1" #~ msgstr "Dosya isminden format belirlenemedi: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Yörüngeleri, reaksiyonları ve titreşimleri canlandırır." #~ msgid "Cartesian Editor" #~ msgstr "Kartezyen Editör" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Molekül için birim hücre tanımlanmadı -- kesirli koordinatlar " #~ "kullanılamaz." #~ msgid "Cartesian Editor..." #~ msgstr "Kartezyen Düzenleyici..." #~ msgid "Cartesian editor" #~ msgstr "Kartezyen editör" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "Kısıtlama ekleyebilmek için molekülünüzde en az bir atom bulunmalı" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Bağ kısıtlaması ekleyebilmek için molekülünüzde en az iki atom bulunmalı" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Açı kısıtlaması ekleyebilmek için molekülünüzde en az üç atom bulunmalı" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Bükülme kısıtlaması ekleyebilmek için molekülünüzde en az dört atom " #~ "bulunmalı" #~ msgid "&Reduce" #~ msgstr "&Azalt" #~ msgid "&Length Unit" #~ msgstr "&Uzunluk Birimi" #~ msgid "Coordinate &Preservation" #~ msgstr "Koordinat &Koruma" #~ msgid "&Matrix Display" #~ msgstr "&Matris Görünümü" #~ msgid "Show &Editors" #~ msgstr "Göster & Editörleri" #~ msgid "Hide &Property Display" #~ msgstr "Sakla &Özellik Gösterimi" #~ msgid "Show &Property Display" #~ msgstr "Göster &Özellik Gösterimi" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Örgü Tipi: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Uzay Grubu: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Birim hücre hacmi: %L1%2" #~ msgid "Undefined" #~ msgstr "Tanımsız" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "Triklinik" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "Monoklinik" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "Ortorombik" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "Tetregonal" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "Hegzagonal" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "Kübik" #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Hücre indirgeme işlemi 1000 indirgeme algoritması iterasyonundan sonra " #~ "başarısız oldu. Durduruluyor." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Standard &Yerleşime Döndür" #~ msgid "&Slab..." #~ msgstr "&Plaka" #~ msgid "Perceive Space&group..." #~ msgstr "Algıla Uzay&grubu" #~ msgid "Set &Spacegroup..." #~ msgstr "Ayarla &Uzay Grubu..." #~ msgid "&Fill Unit Cell" #~ msgstr "&Birim Hücreyi Doldur" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Birim hücreyi seçili uzay grubu ile doldur." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "İndirge &Asimetrik Birim" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "" #~ "Eş pozisyonlardaki atomları kaldır (\"Birim Hücreyi Doldur\"un tersi)." #~ msgid "Sy&mmetrize Crystal" #~ msgstr "&Kristali Simetrikleştir" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Hücre İndirge (&Primitif)" #~ msgid "&Bohr" #~ msgstr "%Bohr" #~ msgid "&Nanometer" #~ msgstr "&Nanometre" #~ msgid "&Picometer" #~ msgstr "&Pikometre" #~ msgid "&Degree" #~ msgstr "&Derece" #~ msgid "&Radian" #~ msgstr "&Radyan" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Koru &Hücre Düzenleme Sırasında Kartezyen Koordinatları" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Koru &Hücre Düzenleme Sırasında Kesirli Koordinatları" #~ msgid "Display &cartesian matrix" #~ msgstr "Göster &Kartezyen Matris" #~ msgid "Display as &column vectors" #~ msgstr "Göster &sütun vektörleri olarak" #~ msgid "&Crystal View Options..." #~ msgstr "&Kristal Görünüm Seçenekleri..." #~ msgid "" #~ "

      Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

      Cell can be symmetrized into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

      " #~ msgstr "" #~ "

      Algılanan Uzay Grubu %1, Hall simgesi %2, Hermann-Mauguin simgesi %3." #~ "

      Hücre geleneksel bir düzene göre simetrikleştirilebilir, bunu " #~ "yapmak istiyor musunuz? Simetri kullanan komutlar (örn. süperhücre " #~ "yapıcı) bunu gerektirir.

      " #~ msgid "Set Spacegroup" #~ msgstr "Uzay Grubu ata" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "Bu belge için atanmış bir uzay grubu yok.\n" #~ "Şimdi bir uzay grubu atamak ister misiniz?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Uzay Grubu P1 tespit edildi -- bu uzay grubuna simetrikleştirilemez.\n" #~ "\n" #~ "Farklı bir tolerans ile yeniden denemek ister misiniz?" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Atomları Hücreye Sar" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Niggli Hücresine İndirge" #~ msgid "Crystallography" #~ msgstr "Kristalografi" #~ msgid "Trajectory..." #~ msgstr "Eğri..." #~ msgid "Open chemical file format" #~ msgstr "Kimyasal dosya biçimi aç" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Kimyasal dosyalar (*.xyz)" #~ msgid "Import trajectory files" #~ msgstr "Eğri dosyalarını içe aktar" #~ msgid "Systematic Rotor Search" #~ msgstr "Sistematik Döner Arama" #~ msgid "Random Rotor Search" #~ msgstr "Rasgele Döner Arama" #~ msgid "Weighted Rotor Search" #~ msgstr "Ağırlıklı Döner Arama" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Molekülleri optimize et ve moleküler kuvvet alanları kullanarak uygun " #~ "hale getir" #~ msgid "H to Methyl" #~ msgstr "H'den Methyl'e" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Hidrojenleri metil grubuna dönüştür" #~ msgid "Add or remove hydrogens" #~ msgstr "Hidrojenleri ekle veya kaldır" #~ msgid "Peptide..." #~ msgstr "Peptit..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Zayıf peptit dizisi ekle" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Tahmini Çift Kutuplu Zamanı (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Standart molekül özelliklerini göster." #~ msgid "Fetch from URL..." #~ msgstr "URL'den Al..." #~ msgid "PDB Entry" #~ msgstr "PDB Kaydı" #~ msgid "PDB entry to download." #~ msgstr "İndirmek için PDB kaydı." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "İndirmek için molekül URL'i" #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Belirtilen molekül yüklenemedi : %1" #~ msgid "Network Fetch" #~ msgstr "Ağdan Alım" #~ msgid "Fetch molecule files over the network." #~ msgstr "Ağ üstünden molekül dosyalarını al." #~ msgid "Show Preview" #~ msgstr "Önizleme Göster" #~ msgid "Hide Preview" #~ msgstr "Önizlemeyi Gizle" #~ msgid "Save POV-Ray rendered image" #~ msgstr "POV-Ray kaplama resmini kaydet" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Resim Dosyaları (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "HErhangi bir geçerli dosya adı belirtilmedi." #~ msgid "Does not compute." #~ msgstr "Hesaplanmaz." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Doğrudan POV-Ray kullanarak kaplamak ve POV-Ray dosyasını korumak " #~ "istemediniz. Bu, çıktının kaydedilmemesine sebep olacak. Bunu " #~ "istediğinizden emin misiniz ?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "%1 dosyasına yazılamıyor. Dosyanın konumuna yazma izninizin olduğundan " #~ "emin misiniz ?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray başlatılamadı." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray başlatılamadı. Belki de çalıştırılabilir dosyanın yolu yanlıştır." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "POV-Ray dosyalarını oluştur ve POV-Ray komut satırı programını kullanarak " #~ "kaplama yap." #~ msgid "Conformer Properties..." #~ msgstr "Uydurma Özellikleri..." #~ msgid "Python Terminal" #~ msgstr "Python Terminali" #~ msgid "Interactive python scripting terminal" #~ msgstr "Etkileşimli Python Betik Terminali" #~ msgid "QM Matches" #~ msgstr "QM Eşleşmeleri" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP Seçimi..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM Seçimi..." #~ msgid "Delete" #~ msgstr "Sil" #~ msgid "You must make a selection!" #~ msgstr "Bir seçim yapmalısınız !" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES Dönüşümü Kullanılamaz" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES Biçim Dönüşümü Mevcut Değil" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "GAMESS kuantum kimya paketi için girdi dosyası oluştur" #~ msgid "Advanced Settings Changed" #~ msgstr "Gelişmiş Ayarlar Değişti" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Gelişmiş Ayarlar Değişti\n" #~ "Vazgeçilsin mi ?" #~ msgid "Advanced Settings Reset" #~ msgstr "Gelişmiş Ayarları Sıfırla" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Gelişmiş Ayarları Sıfırlamak istiyor musunuz ?\n" #~ "Bütün değişiklikler kaybedilecek!" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Basit Ayarları Sıfırlamak istiyor musunuz ?\n" #~ "Bütün değişiklikler kaybedilecek!" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussian Girdi Destesi Üreteci Uyarısı" #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussian Girdi Destesi" #~ msgid "Gaussian Running." #~ msgstr "Gaussian Çalışıyor." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "Gaussian hala çalışıyor. Önceki hesaplamanın bitmesini bekleyin." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian Kurulu Değil." #~ msgid "The G03 executable, cannot be found." #~ msgstr "G03 çalıştırılabilir dosyası bulunamıyor." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 başlamadı. Muhtemelen düzgün bir şekilde kurulmamış." #~ msgid "Running Gaussian calculation..." #~ msgstr "Gaussian hesaplaması çalışıyor..." #~ msgid "G03 Crashed." #~ msgstr "G03 Çöktü." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Gaussian doğru çalışmadı. Muhtemelen düzgün bir şekilde kurulmamış." #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC Girdi Uyarısı" #~ msgid "MOPAC Running." #~ msgstr "MOPAC Çalışıyor." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC hala çalışıyor. Önceki hesaplamanın bitmesini bekleyin." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC Kurulu değil." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "MOPAC çalıştırılabilir dosyası bulunamıyor." #~ msgid "MOPAC failed to start." #~ msgstr "MOPAC başlatılamadı." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC başlamadı. Muhtemelen düzgün kurulmamış." #~ msgid "Running MOPAC calculation..." #~ msgstr "MOPAC hesaplaması çalışıyor..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC Göçtü." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "MOPAC düzgün çalışmıyor. Muhtemelen düzgün kurulmamış." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "NWChem Girdi Destesi Üretici Uyarısı" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Önceki yazıyı değiştirmek istiyor musunuz, NWChem girdi destesinin " #~ "önizleme bölmesinde yapılan değişikliklerin hepsi kaybedilecek ?" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem Girdi Destesi Üreteci Uyarısı" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Q-Chem girdi destesi önizleme bölmesindeki değişiklikleri kaybederek, " #~ "önizleme yazısını güncellemek istiyor musunuz ?" #~ msgid "Select SMARTS..." #~ msgstr "SMARTS'ı Seç..." #~ msgid "Add Named Selection..." #~ msgstr "İsimlendirilmiş Seçim Ekle..." #~ msgid "SMARTS Selection" #~ msgstr "SMARTS Seçimi" #~ msgid "SMARTS pattern to select" #~ msgstr "Seçmek için SMARTS deseni" #~ msgid "There is no current selection." #~ msgstr "Herhangi bir seçim yok." #~ msgid "Add Named Selection" #~ msgstr "İsimlendirilmiş Seçim Ekle" #~ msgid "Name cannot be empty." #~ msgstr "İsim boş olamaz." #~ msgid "There is already a selection with this name." #~ msgstr "Bu isimde bir seçim var." #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Seçilmiş atomlar, bağlar, kalanlar..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL Gölgelendiricileri..." #~ msgid "Open a vertex shader source file" #~ msgstr "Köşe gölgelendirici (vertex shader) kaynak dosyası aç" #~ msgid "Open a shader parameters file" #~ msgstr "Gölgelendirici parametreleri dosyası aç" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Yüklediğiniz molekülün içindeki titreşim verisi herhangi bir yoğunluk " #~ "(intensity) bilgisi içermiyor. Görselleştirme için yoğunluk değerleri " #~ "rastgele atandı." #~ msgid "Y Axis" #~ msgstr "Y Ekseni" #~ msgid "Dark" #~ msgstr "Karanlık" #~ msgid "New Scheme" #~ msgstr "Yeni Şema" #~ msgid "Confirm Scheme Removal" #~ msgstr "Şema Kaldırılmasını Onayla" #~ msgid "Really remove current scheme?" #~ msgstr "Gerçekten geçerli şemayı kaldırmak istiyor musunuz?" #~ msgid "Change Scheme Name" #~ msgstr "Şema Adını Değiştir" #~ msgid "Enter new name for current scheme:" #~ msgstr "Geçerli şema için yeni bir ad giriniz:" #~ msgid "Comma Separated Values" #~ msgstr "Virgülle Ayrılmış Değerler" #~ msgid "Unknown extension: %1" #~ msgstr "Bilinmeyen eklenti: %1" #~ msgid "Data Format" #~ msgstr "Veri Biçimi" #~ msgid "Portable Network Graphics" #~ msgstr "Taşınabilir Ağ Grafikleri" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap" #~ msgid "No vibrational displacements exist." #~ msgstr "Hiçbir titreşimsel yerdeğişimi yok." #~ msgid "Orbitals" #~ msgstr "Yörüngeler" #~ msgid "Calculating VdW Cube" #~ msgstr "VdW Cube Hesaplanıyor" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "MO %L1 Hesaplanıyor" #~ msgid "Could not run mencoder." #~ msgstr "mencoder çalıştırılamıyor" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "Asparagine" #~ msgstr "Asparajin" #~ msgid "Aspartic acid" #~ msgstr "Aspartik asit" #~ msgid "Cysteine" #~ msgstr "Sisten" #~ msgid "Glutamic acid" #~ msgstr "Glutamik asit" #~ msgid "Glutamine" #~ msgstr "Glutamin" #~ msgid "Glycine" #~ msgstr "Glisin" #~ msgid "Gly" #~ msgstr "Gli" #~ msgid "Histidine" #~ msgstr "Histidin" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "İzolösin" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyr" #~ msgstr "Tir" #~ msgid "Tryptophan" #~ msgstr "Triptofan" #~ msgid "Threonine" #~ msgstr "Treonin" #~ msgid "Thr" #~ msgstr "Tre" #~ msgid "Serine" #~ msgstr "Serin" #~ msgid "Phe" #~ msgstr "Fenl" #~ msgid "Lysine" #~ msgstr "Lizin" #~ msgid "Lys" #~ msgstr "Liz" #~ msgid "Leucine" #~ msgstr "Lösin" #~ msgid "Leu" #~ msgstr "Lös" #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "yüksek frekanslı titreşimler hızlı hareketi gösterir" #~ msgid "Display force &vectors" #~ msgstr "Kuvvet ve vektörleri göster" #~ msgid "Z Matrix Editor" #~ msgstr "Z Matris Editörü" avogadrolibs-1.100.0/i18n/ug.po000066400000000000000000007247631474375334400161200ustar00rootroot00000000000000# Uyghur translation for avogadro # Copyright (c) 2011 Rosetta Contributors and Canonical Ltd 2011 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2011. # ejatjon amar <3395087980@qq.com>, 2021. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-13 03:01+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Uyghur \n" "Language: ug\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=2; plural=n != 1;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "يېپىش" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "نامەلۇم" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "BackgroundFileFormat دا ھېچقانداق مولېكۇلا ئورنىتىلمىغان!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "BackgroundFileFormat دا ھۆججەت ئىسمى يوق!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "ئوكسېگىن" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "نېئون" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "خىروم" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "كوبالت" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "پاللادىي" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "كۈمۈشرەڭ" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "تۇڭىستېن" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "پلاتىنا" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "ئالتۇن" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "مېركۇرىي" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:23 #, fuzzy msgid "Browse" msgstr "كۆز يۈگۈرت" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "بارلىق ھۆججەتلەر" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "ماۋزۇ" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "ئاساسىي" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "كارتون" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "مەجبۇرىي" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "ئەن" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "ماۋزۇسىز" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "ھۆججەت(&F)" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 #, fuzzy msgid "&Export" msgstr "چىقار" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "ياساش(&B)" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "ئېلېمېنت:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "توغرىلا" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 #, fuzzy #| msgid "X Axis" msgid "Axis:" msgstr "ئوقى" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, fuzzy msgid "IO Error" msgstr "خاتالىق" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "خاتالىق" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "مۇۋەپپەقىيەتلىك!" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "رەڭ بەلگىلە…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "ئېلېمېنت" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "كۆرۈنۈش(&V)" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "تاسما" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "كارتون" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "كارتون" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 #, fuzzy msgid "&Extensions" msgstr "كېڭەيتمىلەر" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #, fuzzy msgid "Scripts" msgstr "قوليازمىلار" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 #, fuzzy #| msgid "Other" msgid "Other…" msgstr "باشقا" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "ئېلېمېنت ئاتى" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "قۇۋۋىتى" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "سىز" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "ئارىلىق" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "يەككە" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "قوش" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "ئۈچ ھەسسە" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 #, fuzzy msgid "&Import" msgstr "ئىمپورت قىل" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "ھېسابلا" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "يەككە" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "سۇ" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "بىتەرەپ" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "قىستۇر(&I)" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 #, fuzzy #| msgid "T" msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "مولېكۇلا" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 #, fuzzy msgid "Color:" msgstr "رەڭلەر:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "يوق" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "بىردىنبىر كىملىك" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "ئېلېمېنت" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "غۇۋالىقى:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 #, fuzzy msgid "No descriptors found!" msgstr "چۈشەندۈرۈشى يوق" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "بۇلۇڭ:" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "بۇلۇڭ:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy #| msgid "Molecule" msgid "&Molecular…" msgstr "مولېكۇلا" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "خاسلىق(&P)" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy msgid "Export…" msgstr "چىقار" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "يول باشلا" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 #, fuzzy #| msgid "°" msgid " °" msgstr "°" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "توختا" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 #, fuzzy msgid "Save File" msgstr "ساقلا" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "رەڭلەر:" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "تىپى" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "بۇلۇڭ:" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "بۇرما" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "بۇرما" #: qtplugins/propertytables/propertymodel.cpp:939 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "ۋاراق" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "ئەسلىگە قايتۇر" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "تاللا(&S)" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "تاللا" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "تاللانما" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "ئىنفرا قىزىل نۇر" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 #, fuzzy #| msgid "Energy" msgid "Energy (eV)" msgstr "قۇۋۋىتى" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "سىرتقى يۈز" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, fuzzy, qt-format msgid "Group %1" msgstr "گۇرۇپپا ئاتى" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "كۆزنەك" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "…" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "مۇۋەپپەقىيەتلىك!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "فورمات:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "قوللان" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "كۆڭۈلدىكى قىممەتلەر" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "ساقلا" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "ئاساسىي تەڭشەك(&B)" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "ماۋزۇ:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "ئۇسۇل:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "دىكى:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "بىللە:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "ئاتى" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy #| msgid "G" msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy #| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other" msgid "Other" msgstr "باشقا" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "يەككە" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "قوش" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "چارە" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "يەككە" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "قوش" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Width:" msgid "Peak Width:" msgstr "كەڭلىك:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "كۆرۈنۈشى(&A)" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "كۆرسەت" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "ئىمپورت قىل(&I)…" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "ئېكسپورت قىل(&E)…" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Background:" msgstr "تەگلىك:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "ياپ(&C)" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "رەڭلەر:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "ئېنىقلىق دەرىجىسى:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " (" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "ئاق" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "ھېسابلا" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "مولېكۇلا" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "تىپى" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "گۇرۇپپا ئاتى" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "گۇرۇپپا ئاتى" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:, ,Launchpad Contributions:,Avogadro Team,Gheyret T." "Kenji,Sahran, ,Launchpad Contributions:,Avogadro Team,Gheyret T.Kenji," "Sahran, ,Launchpad Contributions:,Avogadro Team,Gheyret T.Kenji,Sahran" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,avogadro-devel@lists.sourceforge.net,,,,,avogadro-devel@lists." "sourceforge.net,,,,,avogadro-devel@lists.sourceforge.net,," #, fuzzy #~ msgid "Partial Charge" #~ msgstr "فورمات:" #, fuzzy #~ msgid "By Distance" #~ msgstr "ئارىلىق" #, fuzzy #~ msgid "Select Water…" #~ msgstr "ئېلېمېنت" #, fuzzy #~| msgid "Molecule" #~ msgid "Molecule Name:" #~ msgstr "مولېكۇلا" #~ msgid "TODO" #~ msgstr "TODO" #, fuzzy #~ msgid "In." #~ msgstr "دىكى:" #~ msgid "Other..." #~ msgstr "باشقا…" #, fuzzy #~ msgid "Filename" #~ msgstr ":ھۆججەت ئاتى" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "يول باشلا" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "يول باشلا" #~ msgid "OK" #~ msgstr "جەزملە" #~ msgid "Cancel" #~ msgstr "ئەمەلدىن قالدۇرۇش" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "ئېلېمېنت ئاتى" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "مولېكۇلا" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "مولېكۇلا" #, fuzzy #~ msgid "Atom Properties..." #~ msgstr "خاسلىق" #, fuzzy #~ msgid "Bond Properties..." #~ msgstr "خاسلىق" #, fuzzy #~ msgid "Angle Properties..." #~ msgstr "خاسلىق" #, fuzzy #~ msgid "Torsion Properties..." #~ msgstr "خاسلىق" #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "خاسلىق" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "ئارىلىق" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "بۇلۇڭ:" #, fuzzy #~ msgid "Yes" #~ msgstr "يىل" #, fuzzy #~ msgid "No" #~ msgstr "نېئون" #, fuzzy #~ msgid "Import" #~ msgstr "ئىمپورت قىل" #, fuzzy #~ msgid "Stopped" #~ msgstr "توختا" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "سىرتقى يۈز" #~ msgid "Axes" #~ msgstr "ئوق" #~ msgid "Polygon" #~ msgstr "كۆپ تەرەپلىك" #~ msgid "Ring" #~ msgstr "ھالقا" #~ msgid "Stick" #~ msgstr "مۇقىم" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "URL" #~ msgstr "URL" #~ msgid "Show Preview" #~ msgstr "ئالدىن كۆزىتىشنى كۆرسەت" #~ msgid "Delete" #~ msgstr "ئۆچۈر" #~ msgid ")" #~ msgstr ")" #~ msgid "Y Axis" #~ msgstr "Y ئوقى" #~ msgid "Dark" #~ msgstr "قارا" #~ msgid "New Scheme" #~ msgstr "يېڭى لايىھە" #~ msgid "Data Format" #~ msgstr "سانلىق-مەلۇمات پىچىمى" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "فورمات:" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "يوق" #~ msgid "Tools" #~ msgstr "قوراللار" #~ msgid "Align:" #~ msgstr "توغرىلاش:" #~ msgid "Everything" #~ msgstr "ھەممىسى" #~ msgid "Algorithm:" #~ msgstr "ئالگورىزىم:" #~ msgid "Start" #~ msgstr "باشلا" #~ msgid "Symbol" #~ msgstr "بەلگە" #~ msgid "Shape" #~ msgstr "شەكىل" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "دەۋرىي" #~ msgid "Radius:" #~ msgstr "رادىئۇس:" #~ msgid "Fill" #~ msgstr "تولدۇر" #~ msgid "Points" #~ msgstr "نۇقتا" #~ msgid "Positive" #~ msgstr "مۇسبەت" #~ msgid "Negative" #~ msgstr "مەنپىي" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "دەۋرىي" #~ msgid "Add" #~ msgstr "قوش" #~ msgid "Load" #~ msgstr "يۈك" #~ msgid "All" #~ msgstr "ھەممىسى" #~ msgid "Algorithm" #~ msgstr "ئالگورىزىم" #~ msgid "L" #~ msgstr "L" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Advanced" #~ msgstr "ئالىي" #~ msgid "Grid" #~ msgstr "سېتكا" #~ msgid "Path:" #~ msgstr "يول:" #~ msgid "System" #~ msgstr "سىستېما" #~ msgid "Misc" #~ msgstr "ئارىلاش" #~ msgid "Read" #~ msgstr "ئوقۇ" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "Default" #~ msgstr "كۆڭۈلدىكى" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "Check" #~ msgstr "تەكشۈر" #~ msgid "Debug" #~ msgstr "سازلا" #~ msgid "C1" #~ msgstr "C1" #~ msgid "O" #~ msgstr "O" #~ msgid "Minutes" #~ msgstr "مىنۇت" #~ msgid "Hours" #~ msgstr "سائەت" #~ msgid "Days" #~ msgstr "كۈن" #~ msgid "Weeks" #~ msgstr "ھەپتە" #~ msgid "Memory:" #~ msgstr "Memory:" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "دەۋرىي" #~ msgid "Skip" #~ msgstr "ئۆتكۈزۈۋەت" #~ msgid "Numeric" #~ msgstr "سان" #~ msgid "Standard" #~ msgstr "ئۆلچەملىك" #~ msgid "New..." #~ msgstr "يېڭى…" #~ msgid "&Width:" #~ msgstr "كەڭلىك(&W):" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "دىيۇيم" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "تۆۋەن" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "ئوتتۇراھال" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "يۇقىرى" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "ناھايىتى يۇقىرى" #~ msgid "Advanced..." #~ msgstr "ئالىي…" avogadrolibs-1.100.0/i18n/uk.po000066400000000000000000015325761474375334400161240ustar00rootroot00000000000000# Ukrainian translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # # Yuri Chornoivan , 2010. # Yuri Chornoivan , 2010, 2011, 2012. # Tymofij Lytvynenko , 2021. # Artem , 2022. # Yarema Kertytsky , 2024. # Eisuke Kawashima , 2024. # Максим Горпиніч , 2024. # LibreTranslate , 2024. # Weblate Translation Memory , 2024. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2024-12-29 11:33+0000\n" "Last-Translator: Максим Горпиніч \n" "Language-Team: Ukrainian \n" "Language: uk\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=3; plural=(n%10==1 && n%100!=11 ? 0 : n%10>=2 && " "n%10<=4 && (n%100<10 || n%100>=20) ? 1 : 2);\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:01+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "Пакетне завдання #%L1 (%2)" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "Повідомлення не вказано." #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "вихід сценарію --print-options має бути об’єктом JSON верхнього рівня. " "Отримано:\n" "%1" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "Повернуто нерядкове попередження." #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "член 'warnings' не є масивом." #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "Довідковий файл \"%1\" не існує." #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "Помилка заповнення файлу %1: %2" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" "Файл \"%1\" неправильно сформований. Відсутній елемент рядка 'contents' або " "'filePath'." #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "Неправильно сформований запис файлу: ім’я файлу/вміст відсутні або відсутні " "рядки:\n" "%1" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "Неправильний запис файлу з індексом %1: це не об’єкт." #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "член 'files' не є масивом." #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "член 'files' відсутній." #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "Член 'mainFile' не посилається на запис у 'files'." #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "Член 'mainFile' має бути рядком." #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "Відповідь має бути об’єктом JSON верхнього рівня." #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "Вивід сценарію:\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Помилка аналізу зі зміщенням %L1: \"%2\"\n" "Необроблений JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" "Помилка збереження представлення молекули в рядку: нерозпізнаний формат " "файлу: %1" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "Помилка збереження представлення молекули в рядку: %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "Помилка створення об’єкта cjson: помилка аналізу зі зміщенням %1: %2\n" "Необроблений JSON:\n" "\n" "%3" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "Об’єкт cjson генератора помилок: аналізований JSON не є об’єктом:\n" "%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "Генератор вхідних даних (помилка)" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "%1 Генератор вхідних даних" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Продовжити" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Закрити" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Невідомий" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "Наступні файл були змінені:\n" "\n" "%1\n" "\n" "Чи бажаєте ви перезаписати свої зміни, щоб відобразити нову геометрію чи " "параметри роботи?" msgstr[1] "" "Наступні файли були змінені:\n" "\n" "%1\n" "\n" "Чи бажаєте ви перезаписати свої зміни, щоб відобразити нову геометрію чи " "параметри роботи?" msgstr[2] "" "Наступні файлів були змінені:\n" "\n" "%1\n" "\n" "Чи бажаєте ви перезаписати свої зміни, щоб відобразити нову геометрію чи " "параметри роботи?" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "Перезаписати змінені вхідні файли?" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "Під час створення вхідних даних виникли проблеми:" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "Немає вхідних файлів для збереження!" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "Не вдається підключитися до MoleQueue" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" "Неможливо підключитися до сервера MoleQueue. Переконайтеся, що він працює, і " "повторіть спробу." #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "Надіслати обчислення %1" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "Робота не виконана" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "Робота не виконана успішно." #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "Сценарій повертає попередження:\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "Сховати &попередження" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "Показати &попередження" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "Сталася помилка:" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "Виберіть назву вихідного файлу" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" "Внутрішня помилка: не вдалося знайти текстовий віджет для імені файлу \"%1\"" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "Помилка виведення" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "Не вдалося записати файл %1." #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "Виберіть вихідний каталог" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1: Каталог не існує!" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1: Каталог не читається!" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1: Файл буде перезаписано." #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1: Файл не доступний для запису." #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "Вхідні файли неможливо записати через невідому помилку." #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "Вхідні файли не можна записати:\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "Вхідні файли не можна записати:\n" "\n" "%1\n" "\n" "Попередження:\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "УВАГА:\n" "\n" "%1\n" "\n" "Бажаєте продовжити?" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "Записати вхідні файли" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "Налаштувати завдання" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "Надсилання завдання до MoleQueue…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "Тайм-аут подання завдання" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Авогадро вичерпав час очікування відповіді від MoleQueue." #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "Очікування завершення завдання %1 «%2»…" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "Припиніть чекати" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "Отримання інформації про виконану роботу…" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "Час очікування отримання завдання" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" "Авогадро вичерпав час очікування на деталі завершеної роботи від MoleQueue." #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "Помилка надсилання завдання" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "Завдання відхилено MoleQueue: %1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "Програма не вибрана." #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "Будь ласка, виберіть цільову програму зі списку «Черга та програма»." #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "Клієнту не вдалося надіслати завдання до MoleQueue." #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "Внутрішня помилка." #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "Неможливо вирішити вибір програми. Це помилка." #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "У BackgroundFileFormat немає молекули!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "Не встановлено Io :: FileFormat у BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Назви файлу не встановлено у BackgroundFileFormat!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "Розділ по горизонталі" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "Спліт по вертикалі" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Гідроген" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Гелій" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Літій" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Берилій" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Бор" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Карбон" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Нітроген" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Оксиген" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Флуор" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Неон" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Натрій" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Магній" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Алюміній" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Силіцій" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Фосфор" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Сульфур" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Хлор" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Аргон" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Калій" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Кальцій" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Скандій" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Титан" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Ванадій" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Хром" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Манган" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Ферум" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Кобальт" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Нікол" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Купрум" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Цинк" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Галій" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Германій" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Арсен" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Селен" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Бром" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Криптон" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Рубідій" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Стронцій" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Ітрій" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Цирконій" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Ніобій" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Молібден" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Технецій" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Рутеній" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Родій" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Паладій" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Аргентум" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Кадмій" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Індій" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Станум" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "Сурма" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Телур" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Йод" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Ксенон" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Цезій" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Барій" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Лантан" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Церій" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Празеодим" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Неодим" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Прометій" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Самарій" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Європій" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Гадоліній" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Тербій" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Диспрозій" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Гольмій" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Ербій" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Тулій" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Ітербій" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Лютецій" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Гафній" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Тантал" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Вольфрам" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Реній" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Осмій" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Іридій" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Платина" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Аурум" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Меркурій" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Талій" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Плюмбум" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Бісмут" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Полоній" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Астат" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Радон" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Францій" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Радій" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Актиній" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Торій" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Протактиній" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Уран" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Нептуній" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Плутоній" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Америцій" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Кюрій" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Берклій" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Каліфорній" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Ейнштейній" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Фермій" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Менделєвій" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Нобелій" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Лоуренсій" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Резерфордій" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Дубній" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Сіборгій" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Борій" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Гасій" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Майтнерій" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Дармштадтій" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Рентгеній" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Коперніцій" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "Ніхоній" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "Флеровій" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "Московій" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "Ліверморій" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "Теннессин" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "Оганесон" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "переглядати" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "Виберіть файл:" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "Виберіть виконуваний файл:" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "Неможливо знайти відповідний засіб читання файлів для вибраного файлу." #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" "Розширення файлу відсутнє, тому формат неможливо визначити. Хочете додати?" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "Не вдається знайти відповідний записувач файлів для вибраного формату." #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "обробники" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "ручка" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "читачі" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "читати" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "письменники" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "писати" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" "Знайдено кілька %1, які можуть %2 цей формат. Який слід використовувати?" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "Всі файли" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "Усі підтримувані формати" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "Помилка читання представлення молекули: Нерозпізнаний формат файлу: %1" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "%1 повідомлення" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" "Помилка запису представлення молекули в рядок: нерозпізнаний формат файлу: %1" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "Помилка запису представлення молекули в рядок: %1" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "Відсутній 'userOptions'." #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "Параметр \"%1\" не посилається на об'єкт." #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type' не є рядком для параметра '%1'." #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "Не вдалося знайти параметр \"%1\"." #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "вкладка %1" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Назва" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "База імен файлів" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "Ядра процесора" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "Тип розрахунку" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "Теорія" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Основа" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "Заряд" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "Кратність" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "Помилка: значення має бути об’єктом для ключа «%1»." #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "Нерозпізнаний тип опції \"%1\" для опції \"%2\"." #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" "Помилка налаштування параметра \"%1\" за умовчанням. Поганий тип віджета." #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" "Помилка налаштування параметра \"%1\" за умовчанням. Неправильне значення за " "умовчанням:" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" "Помилка налаштування параметра \"%1\" за умовчанням. Не вдалося знайти " "дійсний індекс комбінованого запису зі значення:" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "Необроблений віджет у collectOptions для опції «%1»." #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "[жодної молекули]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "Шар %1" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Кульки і стрижні" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "мультфільми" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "Закрити Контакти" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "Кристалічна решітка" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Дипольний момент" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Сила" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 msgid "Labels" msgstr "етикетки" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "Солодка" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "Сітки" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "Нековалентний" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "Елементи симетрії" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Ван-дер-Ваальса" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Каркас" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "Без назви" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "Створіть новий перегляд" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Періодична таблиця" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" "Помилка під час виконання сценарію \"%1 %2\": минув час очікування запуску " "(%3)." #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "Помилка під час виконання сценарію \"%1 %2\": не вдалося записати в " "стандартний вхід (len=%3, записав %4 байти, помилка QProcess: %5)." #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" "Помилка виконання сценарію \"%1 %2\": минув час очікування завершення (%3)." #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "Помилка виконання сценарію \"%1 %2\": ненормальний статус виходу %3 (%4: " "%5)\n" "\n" "Вихід:\n" "%6" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "УВАГА '%1'" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "Не вдалося запустити сценарій." #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "Збій сценарію." #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "Сценарій минув." #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "Помилка читання." #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "Помилка запису." #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "Невідома помилка." #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "Змінити шари" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "Видалити шар" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "Видалити інформацію про шар" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "Додати шар" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "Додати інформацію про шар" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "Змінити шар" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Додати атом" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Вилучити атом" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "Очистити атоми" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Вирівняти атоми водню" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "Зміна елементів" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Змінити елемент" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "Гібридизація змінного атома" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "Змінити офіційне звинувачення Atom" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "Змінити колір атома" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "Змінити шар Atom" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Додати зв’язок" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "Видалено Бонда" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "Очистити облігації" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "Встановіть замовлення на облігації" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Змінити порядок зв’язку" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "Оновити облігації" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "Оновити Бонд" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "Додати елементарну комірку…" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "Вилучити елементарну комірку" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "Редагувати елементарну комірку" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "Оберніть атоми в клітинку" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "Масштаб об'єму комірки" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "Створіть Super Cell" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "Скорочення Niggli" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "Обернути до стандартної орієнтації" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "Зменшити до примітиву" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "Консультація Клітка" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "Симетризуйте клітинку" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "Заповнити елементарну комірку" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "Зменшити клітинку до асиметричної одиниці" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "Зміна позицій атомів" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "Змінити положення атома" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "Змінити мітку Atom" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "Змінити етикетку облігацій" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "Змінити вибір" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "Змінити молекулу" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "Налаштування" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "Не вдається завантажити сценарій %1" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "Перевірка сценаріїв %1 на шляху %2" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "HTML-блок 3DMol." #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Файл" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "&Експорт" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ТриDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "Змінити елементи…" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Збирання" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Елемент:" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "Алхімія" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "Зміна елементів атомів." #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Вирівняти" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" "Вирівнювання молекул\n" "\n" "Ліва кнопка миші: \tвибір до двох атомів.\n" "\tПерший атом центрується за початком координат.\n" "\tДругий атом вирівнюється за вибраною віссю.\n" "Права кнопка миші: \tскасувати вирівнювання.\n" "Подвійне клацання: \tцентрувати атом за початком координат." #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Вісь:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "Вирівняти за початком" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "Вирівняти по осі" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "Центруйте атом у початку координат." #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "Обертайте молекулу, щоб вирівняти атом відносно вказаної осі." #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "Інструмент вирівнювання" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Вирівнювання молекул за декартовими вісями" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "бігти APBS…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "Відкрити вихідний файл…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "&Введення" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "Відкрийте вихідний файл" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "Файл OpenDX (*.dx)" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "IO Помилка" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "Помилка читання файлу структури (%1)." #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "Помилка OpenDX" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "Помилка читання файлу OpenDX: %1" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "Помилка читання файлу OpenDX: куб не знайдено" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "Взаємодія з утилітами APBS." #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "Відкрийте файл PDB" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB Файли (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "Відкрийте файл PQR" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "Файли PQR (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Помилка" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "Помилка запуску APBS: %1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "Будь ласка, вкажіть файл PDB" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "Збережіть вхідний файл APBS" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "APBS Введення (*.in)" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "Успіх" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "Вхідний файл, записаний у \"%1\"" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "За індивідуальним кольором…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "За атомним індексом…" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "За відстанню…" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "За елементом" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "По ланцюжку" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "За часткову оплату…" #: qtplugins/applycolors/applycolors.cpp:82 msgid "By Secondary Structure" msgstr "За вторинною структурою" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "За допомогою амінокислоти" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "За фігурною схемою" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "Парула" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "Тепло" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "Гаряче" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "Сірий" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "Магма" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "Пекло" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "плазма" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "Зелений" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "Спектральний" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "Прохолодний" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "Баланс" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Синьо-темно-червоний" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "Турбо" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "Застосуйте кольорові схеми до атомів і залишків." #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "П&ерегляд" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "Кольорові атоми" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "Залишки кольору" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "Виберіть Colormap" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "Кольорова карта:" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "Нанесіть кольори" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "Масштаб атома" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "Шкала зв'язку" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "Непрозорість" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "Показати кілька зв’язків" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "Покажіть гідрогени" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "Зробіть атоми кулями, а зв’язки циліндрами." #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "Ctrl+7" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 msgid "Bond-Centric Manipulation" msgstr "Бонд-центрична маніпуляція" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" "Інструмент маніпуляції, орієнтований на Bond (%1) \n" "\n" "Ліва миша: клацніть і перетягніть, щоб повернути перегляд. \n" "Середня миша: натисніть і перетягніть, щоб збільшити або зменшити масштаб. \n" "Права кнопка миші: натисніть і перетягніть, щоб перемістити перегляд. \n" "Подвійне клацання: скидання перегляду. \n" "\n" "Клацніть лівою кнопкою миші та перетягніть зв’язок, щоб встановити площину " "маніпуляції: \n" "Клацніть лівою кнопкою миші та перетягніть один із атомів у зв’язку, щоб " "змінити кут \n" "Клацніть правою кнопкою миші та перетягніть один із атомів у зв’язку, щоб " "змінити довжину" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "%L1°" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "%L1 Å" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "Центральний маніпуляційний інструмент Bond." #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" "Інструмент, який використовується для редагування молекулярної геометрії " "шляхом зміни довжин зв’язків і кутів." #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "Атоми зв'язку" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "Сприймати Бонд-замовлення" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "Видалити облігації" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "Налаштувати приєднання…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "З’єднайте вибрані атоми" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 msgid "Bond" msgstr "Зв’язок" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "Видаліть зв’язки з усіх або вибраних атомів." #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "Створення зв’язків між усіма або вибраними атомами." #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "Сприймати зобов'язання." #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "Склеювання" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "Виконайте операції склеювання." #: qtplugins/cartoons/cartoons.cpp:92 msgctxt "protein rendering style" msgid "Backbone" msgstr "хребет" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Слід" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "трубка" #: qtplugins/cartoons/cartoons.cpp:95 msgctxt "protein rendering style" msgid "Ribbon" msgstr "Стрічка" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Простий мультфільм" #: qtplugins/cartoons/cartoons.cpp:97 msgctxt "protein rendering style" msgid "Cartoon" msgstr "Мультфільм" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Мотузка" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "Відображення стрічок біомолекул / мультфільмів." #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "Додати Centroid" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "Додати центр мас" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "Додайте перпендикуляр" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "центроїд" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "Додайте центроїди та центр мас." #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "Максимальна відстань:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "Ширина лінії:" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "Візуалізація тісних контактів між атомами." #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "контакт" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "Соляний міст" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "Відразливий" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "Редагувати карту непрозорості кольорів…" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&Розширення" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "Карта непрозорості кольорів" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" "Редагувати карти непрозорості кольорів, насамперед для об’ємного відтворення." #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "Сценарії" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "Помилка читання вихідного файлу \"%1\":\n" "%2" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "Обробка %1" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "Встановити шлях до інтерпретатора Python:" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Виберіть інтерпретатор Python для запуску зовнішніх сценаріїв.\n" "Avogadro потрібно перезапустити, щоб зміни вступили в силу." #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "Командні скрипти" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "Виконайте команди зовнішнього сценарію" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "Налаштування Python…" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "Встановіть Python" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" "Python використовується для багатьох функцій Avogadro. Бажаєте завантажити " "Python?" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "Налаштувати Python" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "Налаштувати середовища Python." #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "інше…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "Редактор атомних &координат…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "Редактор координат" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "Текстове редагування атомних координат." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "Перезаписати зміни?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" "Текстовий документ змінено. Бажаєте скасувати зміни та повернутися до " "поточної молекули?" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "Замало записів у рядку." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "Недійсна назва елемента." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "Назва елемента." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "Недійсний символ елемента." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "Символ елемента." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "Недійсна мітка атома." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "Недійсний атомний індекс." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "Атомний індекс." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "Недійсний атомний номер." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "Атомний номер." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "Неправильна координата." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X координата." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y координата." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z координата." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' координатна решітка." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' координатна решітка." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "'c' координатна решітка." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "Помилка застосування геометрії" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "Не вдалося проаналізувати специфікацію геометрії. Виправте виділені помилки " "та повторіть спробу.\n" "\n" "(Підказка: утримуйте курсор миші над червоним текстом, щоб побачити опис " "помилки.)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "Редагувати атомні координати" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "Нетипова" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ формат (символи)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ формат (імена)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "Формат XYZ (атомні номери)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "Координати решітки (символи)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "Координати решітки (імена)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "Координати решітки (атомні номери)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "Формат GAMESS (символи)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "Формат GAMESS (імена)" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Турбомольний формат" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "Копіювати" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "ПОСМІШКИ" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "In ChI" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "Вирізати" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "Очистити" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "&Вставити" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "&Редагувати" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "Копіювати як" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "Помилка відсікання молекули" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "Помилка створення даних буфера обміну." #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "Формат виведення: %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "Помилка читача:\n" "%1" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "Помилка вставлення молекули" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "Не вдається вставити молекулу: буфер обміну порожній!" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "Помилка читання даних буфера обміну." #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "Виявлений формат: %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "Скопіюйте та вставте" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "Взаємодія з буфером обміну." #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "Вхід CP2K" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "Створити вхідні дані для CP2K." #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Енергія" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "Енергія і Сили" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "Молекулярна динаміка" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "Оптимізація геометрії" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "Методи електронної структури (DFT)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "Молекулярна механіка" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "Гібридний квантовий класичний (ще не підтримується)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "НЕМАЄ" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "АТОМНА" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "CORE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "ЩІЛЬНОСТІ" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "HISTORY_RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "ВИПАДКОВО" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "ПЕРЕЗАПУСК" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "РІДКИЙ" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "БРОЙДЕН" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 msgid "Conjugate Gradients" msgstr "Спряжені градієнти" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 msgid "Steepest descent" msgstr "Найкрутіший спуск" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" "Вхідний файл було змінено. Чи бажаєте ви перезаписати свої зміни, щоб " "відобразити нову геометрію чи параметри роботи?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "Перезаписати змінений вхідний файл?" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "Збережіть вхідний файл CP2K" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "Надішліть розрахунок CP2K" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "Імпортувати кристал із буфера обміну…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "Перемкнути елемент елемента" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "Редагувати елементарну комірку…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "&Оберніть атоми в елементарну комірку" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "Повернути до стандартної &орієнтації" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "Масштаб &обсягу комірки…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "Створити &Supercell…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "Звести комірку (за &Нігглі)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "&Кристал" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "Вилучити &елементарну комірку" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "Додати &елементарну комірку" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "Імпорт Crystal з буфера обміну" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "Загорніть атоми в елементарну комірку." #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "Поверніть елементарну комірку до стандартної орієнтації." #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "Зменшити кристал Ніглі" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "Елементарна комірка вже зменшена." #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "Кристал" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "Інструменти для спеціального редагування/аналізу кристала." #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "Кольорові осі:" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "Колір лінії:" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "Візуалізуйте межі елементарної комірки." #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "Не вдалося обробити текст" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "Не вдалося прочитати дані у наданому форматі." #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "Немає елементарної комірки." #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "Перепризначити &спеціальні елементи…" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "Маніпулювати користувацькими типами елементів у поточній молекулі." #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "Спеціальні елементи" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "Відобразіть дипольний момент молекули." #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "Ctrl+2" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Малювати" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" "Інструмент малювання (%1)\n" "\n" "Ліва миша: клацніть і перетягніть, щоб створити атоми та зв’язок\n" "Права кнопка миші: Видалити атом" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Намалювати атом" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "Змінити тип облігації" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "Видалити Бонда" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 msgid "Distance:" msgstr "Відстань:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "%1 %L2" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "Інструмент редактора" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "Автоматично" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Одинарний" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Подвійний" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Потрійний" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "&Імпорт" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "Отримати PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "Не вдалося прочитати молекулу PDB: %1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB Код" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Хімічна структура для звантаження." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "Недійсний код PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "Код PDB має містити рівно 4 символи." #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "Перший символ коду PDB має бути 1-9." #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "Запит на %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Завантаження через мережу не вдалось" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Перевищено час очікування на відповідь або інша помилка." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Не вдалося знайти вказану молекулу: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "Отримати з PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "Завантажте моделі PDB з банку даних Protein" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "Вибір фокусу" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "Розфокусувати" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "Фокус" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "Зосередьте погляд на конкретних функціях." #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "Візуалізуйте силове поле для атомів молекули." #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "Оптимізації геометрії" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "Сили" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "Налаштувати…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "Заморозити вибрані атоми" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "Розморозити вибрані атоми" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "&Обчислити" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "Немає атомів для оптимізації" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "Енергія: %L1" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 Енергія = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 Норма сили = %L2" #: qtplugins/forcefield/forcefield.h:46 msgid "Forcefield optimization" msgstr "Оптимізація силового поля" #: qtplugins/forcefield/forcefield.h:50 msgid "Forcefield minimization, including scripts" msgstr "Мінімізація силового поля, включаючи скрипти" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "Автовизначення (%1)" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "Універсальне силове поле" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "Узагальнене силове поле Амбра" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "Молекулярне силове поле Merck 94" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "Помилка отримання метаданих для енергетичного сценарію: %1" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "Помилка аналізу метаданих для енергетичного сценарію: %1" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" "Помилка аналізу метаданих для енергетичного сценарію: %1\n" "Результат не є об’єктом JSON.\n" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&ІГРИ…" #: qtplugins/gamessinput/gamessinput.h:34 msgid "GAMESS input" msgstr "Вхід GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "Згенеруйте вхідні дані для GAMESS." #: qtplugins/gamessinput/gamessinputdialog.cpp:221 msgid "Single Point" msgstr "Єдина точка" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Рівноважна геометрія" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "Перехідний стан" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "Частоти" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Псевдопотенціал" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "Газ" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "Рідина" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Синглет" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Дуплет" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Триплет" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Дикатіон" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "Катіон" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "Нейтральна" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "Аніон" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Діаніон" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "Збережіть вхідний файл GAMESS" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "Надішліть розрахунок GAMESS" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "&Відрегулюйте водень" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Додати атоми водню" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "Вилучіть зайвий водень" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "&Видалити всі водні" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "Додати/видалити атоми водню з поточної молекули." #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "&Гідрогени" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "Водневі атоми" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "&Пошук PQR…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "Імпортувати з PQR" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "Завантажте молекулу з PQR." #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "ДНК/РНК…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "Вставити" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "Вставте ДНК/РНК…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "У" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "Урацил" #: qtplugins/insertdna/insertdna.cpp:166 msgctxt "thymine" msgid "T" msgstr "Т" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "Тимін" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "Вставити молекулу…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "Створення 3D-молекули…" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "Вставте ДНК" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "Вставте фрагменти ДНК/РНК через діалогове вікно." #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "молекула…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "Кристал…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "Помилка читання файлу (%1)." #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "Імпорт кристала" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Вставити фрагмент" #: qtplugins/insertfragment/insertfragment.h:35 msgid "InsertFragment" msgstr "Вставити Фрагмент" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "Вставте молекулярні фрагменти для створення більших молекул." #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "Колір:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "Відстань від центру:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Немає" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "Індекс" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "Унікальний ідентифікатор" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Елемент" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "Елемент і число" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "Елемент і ID" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "Часткова зарядка" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "Мітка Atom:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "Довжина" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "Мітка облігації:" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "Ім'я" #: qtplugins/label/label.cpp:236 msgid " & " msgstr " & " #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "Мітка залишків:" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "Відображення міток на стилі м’яча та ключки." #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "Ctrl+4" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "Редагувати мітки" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" "Інструмент Atom Label (%1)\n" "\n" "Ліва миша: клацніть на Atoms, щоб додати власні мітки" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "Створити етикетку" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "Інструмент для редагування міток" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&ЛАМПИ…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "Вхід ЛАМПИ" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "Створити вхідні дані для LAMMPS." #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" "Бажаєте оновити текст попереднього перегляду з втратою всіх змін, внесених " "за допомогою панелі попереднього перегляду вхідних даних Lammps?" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Непрозорість:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "Візуалізуйте атоми як солодку/палички." #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "ПОСМІШКИ…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "In ChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 msgid "No descriptors found!" msgstr "Не знайдено дескрипторів!" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "Не знайдено зчитувачів рядкового формату!" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "Неможливо завантажити запитаний зчитувач формату." #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "Вхідний формат рядка" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" "Завантажте однорядкові дескриптори молекул через діалогове вікно введення." #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "Ctrl+6" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Керування" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" "Інструмент маніпуляції (%1)\n" "\n" "Ліва миша: натисніть і перетягніть, щоб перемістити атоми\n" "Права миша: клацніть і перетягніть, щоб обертати атоми.\n" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "Інструмент маніпуляції" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "Ctrl+8" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Вимірювання" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" "Інструмент вимірювання (%1)\n" "\n" "Ліва миша: виберіть до чотирьох атомів.\n" "\tВідстані вимірюються від 1-2 до 2-3\n" "\tКут вимірюється між 1-3, використовуючи 2 як спільну точку\n" "\tДвогранник вимірюється між 1-2-3-4\n" "Права кнопка миші: скинути вимірювання." #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Двограний кут:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Кут:" #: qtplugins/measuretool/measuretool.cpp:215 msgid "Angles:" msgstr "Кути:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "Інструмент для вимірювання" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "Візуалізація полігональних сіток." #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(очікується)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "невідома молекула" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "Власність" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "Назва молекули" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "Молекулярна маса (г/моль)" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "Хімічна формула" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "Кількість атомів" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "Кількість облігацій" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "Множини координат" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "Кількість залишків" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "Кількість ланцюгів" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "Чиста плата" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "Кратність чистого обертання" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "Дипольний момент (Дебая)" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "Енергія HOMO (еВ)" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "Енергія LUMO (еВ)" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "Енергія SOMO (еВ)" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "Загальна енергія (Хартрі)" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "Енергія нульової точки (ккал/моль)" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "Ентальпія (ккал/моль)" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "Ентропія (ккал/моль•K)" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "Вільна енергія Гіббса (ккал/моль)" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "Група точок" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "&Молекулярний…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "Перегляньте загальні властивості молекули." #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "&Аналіз" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Властивості" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Молекулярні властивості" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Властивості молекули" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "Експорт CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "Файли CSV (*.csv);;Усі файли (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 msgid "Could not open the file for writing." msgstr "Не вдалося відкрити файл для запису." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "Помилка запису у файл." #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "Експорт…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "Ctrl+1" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Навігація" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" "Інструмент навігації (%1)\n" "\n" "Ліва миша: клацніть і перетягніть, щоб повернути перегляд.\n" "Середня миша: натисніть і перетягніть, щоб збільшити або зменшити масштаб.\n" "Права кнопка миші: натисніть і перетягніть, щоб перемістити перегляд.\n" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "Обертайте сцену вздовж осей x, y або z." #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "Збільште масштаб сцени." #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "Перекладіть сцену." #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "Зворотний напрямок масштабування під час прокручування" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" "За замовчуванням: прокрутіть вниз, щоб зменшити, прокрутіть вгору, щоб " "збільшити\n" "Перевернуто: прокрутіть вгору, щоб зменшити, прокрутіть вниз, щоб збільшити" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Знаряддя навігації" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Назва речовини" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "Мережеві бази даних" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "Взаємодія з онлайн-базами даних, структурами запитів тощо." #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "Допуск кута:" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "Візуалізуйте кілька нековалентних взаємодій." #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "Галогенні" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "Халькоген" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "Налаштувати Force Field…" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "Конформер Пошук…" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "Сприймати облігації" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "Додайте водень для pH…" #: qtplugins/openbabel/openbabel.cpp:83 msgid "Remove Hydrogens" msgstr "Видалити водень" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "%1 не знайдено! Вимкнення дій плагіна Open Babel." #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "&Відкрийте Babel" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "Формати файлів Open Babel не готові до додавання." #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "Завантаження молекули з Open Babel…" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "Сталася внутрішня помилка: OpenBabel::readMolecule викликається, але вихід " "obabel недоступний для аналізу!" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "Сталася помилка під час запуску Open Babel (%1)." #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "Помилка аналізу вихідних даних openbabel." #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" "Під час отримання списку підтримуваних силових полів сталася помилка. (з " "використанням «%1»)." #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "Молекула недійсна. Не вдається оптимізувати геометрію." #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "Неможливо оптимізувати геометрію за допомогою Open Babel." #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "Оптимізація геометрії (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "Генерація…" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" "Сталася внутрішня помилка під час створення представлення Open Babel для " "поточної молекули." #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "Запуск %1…" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "Крок %1 з %2\n" "Поточна енергія: %3\n" "dE: %4" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "Оновлення молекули…" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "Помилка інтерпретації вихідних даних Open Babel." #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Кількість атомів у виході obabel (%1) не відповідає кількості атомів у " "вихідній молекулі (%2)." #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "Молекула недійсна. Неможливо створити конформери." #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "Неможливо створити конформери за допомогою Open Babel." #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "Створення конформерів (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "Генерувати конформери" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "Не вдається відкрити файл за допомогою Open Babel." #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "Недійсна молекула: не сприймає зв’язки." #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "Сприйняття зв'язків (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "Створення представлення XYZ…" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "Помилка генерації рядка XYZ." #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "Перетворення XYZ на Open Babel за допомогою %1…" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "Оновлення молекули з Open Babel…" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "Неможливо додати водень за допомогою Open Babel." #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 msgid "Adding Hydrogens (Open Babel)" msgstr "Додавання атомів водню (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "Створення вхідних даних Open Babel…" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "Помилка створення вхідних даних Open Babel." #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "Біг %1…" #: qtplugins/openbabel/openbabel.cpp:871 msgid "Add hydrogens for pH" msgstr "Додайте водень для pH" #: qtplugins/openbabel/openbabel.cpp:871 msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "Генерація введення obabel…" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "Неможливо видалити водень за допомогою Open Babel." #: qtplugins/openbabel/openbabel.cpp:919 msgid "Removing Hydrogens (Open Babel)" msgstr "Видалення водню (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "Помилка створення даних Open Babel." #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "Читання результату obabel…" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" "Open Babel вже працює. Дочекайтеся завершення іншої операції та повторіть " "спробу." #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "Відкрийте Babel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "Взаємодія з утилітами OpenBabel." #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "&Сценарій OpenMM…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "Вхід OpenMM" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "Згенерувати вхідні дані для OpenMM." #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "Хочете оновити текст попереднього перегляду, втративши всі зміни, зроблені " "на панелі попереднього перегляду колоди вводу OpenMM?" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "inpc rd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "Gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "PDB" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prm top" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "зверху" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "True" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "Опорні осі" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "Накладання опорних осей" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "Візуалізуйте опорні осі в кутку дисплея." #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "Ctrl+9" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "гравець" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "Інструмент анімації (%1)" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "грати" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Зупинити" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "Частота кадрів:" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "Кадр:" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " від %0" #: qtplugins/playertool/playertool.cpp:136 msgid "Dynamic bonding?" msgstr "Динамічне склеювання?" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "Записати фільм…" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "Фільм (*.mp4)" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "Експорт растрової графіки" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "Фільм (*.mp4);;Фільм (*.avi);;GIF (*.gif)" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "GIF i(*.gif)" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "Попередження про підтримку GIF FPS" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "Формат файлу GIF не підтримує частоту кадрів понад 100 FPS." #: qtplugins/playertool/playertool.cpp:317 msgid "Movie (*.avi)" msgstr "Фільм (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "Помилка: неможливо додати кадр до відео." #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "Не вдається зберегти файл %1." #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "Інструмент гравця" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "Відтворення траєкторій" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "Ділянка функції розподілу пар…" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "Не вдалося створити шаблон PDF" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "Повідомлення про помилку: " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "Plot Pdf" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "Згенеруйте та побудуйте графік функції парного розподілу." #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "Побудуйте криву середньоквадратичного значення…" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "Plot Rmsd" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "Згенеруйте та побудуйте криву RMSD." #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "Побудуйте теоретичну рентгенограму…" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "Не вдалося створити рентгенограму XRD" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "Не вдалося перетворити молекулу у формат CIF." #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "Дані, зчитані з genXrdPattern, виявляються пошкодженими!" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "Помилка: не вдалося знайти виконуваний файл genXrdPattern!" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "Помилка: " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "Plot Xrd" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "Створіть і побудуйте теоретичну модель XRD за допомогою ObjCryst++." #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "оновлення" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "Версія" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "опис" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "Помилка завантаження даних плагіна." #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "Помилка аналізу даних плагіна." #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "Цей плагін вимагає встановлення певних пакетів.\n" "Ви хочете їх встановити?" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "Завжди" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "Ніколи" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "Не вдалося завантажити з %1: код стану %2, %3\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "Завантаження %1 до %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "Видобування %1 до %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "Завершено %1 файлів\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "Видобуток успішний\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "Помилка під час видобування: %1" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "Завантажити плагіни…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "Завантажити плагіни" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "Завантажте плагіни зі сховищ GitHub." #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY Рендер…" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 msgid "Save File" msgstr "Зберегти файл" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;Текстовий файл (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "Відтворіть сцену за допомогою PLY." #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray Рендер…" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;Текстовий файл (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POV Ray" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "Візуалізуйте сцену за допомогою POV-Ray." #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Валентність" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "Офіційне звинувачення" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "%1 Часткова зарядка" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "Мітка" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "колір" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Атом" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Тип" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "Початковий атом" #: qtplugins/propertytables/propertymodel.cpp:533 msgid "End Atom" msgstr "Кінцевий атом" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "Порядок облігацій" #: qtplugins/propertytables/propertymodel.cpp:539 msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Довжина (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "ланцюг" #: qtplugins/propertytables/propertymodel.cpp:556 msgid "Secondary Structure" msgstr "Вторинна структура" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "Гетероген" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 msgid "Atom 1" msgstr "атом 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Вершина" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 msgid "Atom 3" msgstr "атом 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 msgid "Angle (°)" msgstr "Кут (°)" #: qtplugins/propertytables/propertymodel.cpp:591 msgid "Atom 2" msgstr "атом 2" #: qtplugins/propertytables/propertymodel.cpp:595 msgid "Atom 4" msgstr "атом 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "RMSD (Å)" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "Енергія (ккал/моль)" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "Налаштувати фрагмент" #: qtplugins/propertytables/propertymodel.cpp:933 msgctxt "pi helix" msgid "π Helix" msgstr "π Спіраль" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "Вигин" #: qtplugins/propertytables/propertymodel.cpp:937 msgctxt "alpha helix" msgid "α Helix" msgstr "α Спіраль" #: qtplugins/propertytables/propertymodel.cpp:939 msgctxt "beta sheet" msgid "β Sheet" msgstr "β Аркуш" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 спіраль" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "β Міст" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "поворот" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "Котушка" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "Властивості атома…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "Властивості облігацій…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "Властивості кута…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "Властивості кручення…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "Властивості залишків…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "Властивості конформера…" #: qtplugins/propertytables/propertytables.cpp:75 msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "" "Таблиці для відображення та редагування властивостей атома, зв’язку, кута та " "кручення." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "Таблиці властивостей" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Властивості атомів" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Властивості зв’язків" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Властивості кутів" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Властивості обертання" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Властивості конформерів" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "Властивості залишку" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "Показ елементі на основі властивостей QTAIM" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "Молекулярний графік…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "Молекулярний графік з одинокими парами…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "Атомний заряд…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "Відкриття файла WFN" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "Файли WFN (*.wfn);;Всі файли (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "Розширення QTAIM" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "Квантовий вхід" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "Створення вхідних даних для квантових кодів." #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "центр" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "Вирівняти вид за осями" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "Вирівняти вигляд по осях." #: qtplugins/resetview/resetview.h:26 msgid "Reset view" msgstr "Скинути перегляд" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "Керуйте камерою огляду." #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "Моделі оплати сценаріїв" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "Завантажувати електростатичні моделі із зовнішніх скриптів." #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "Формати файлів сценаріїв" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "Завантажте програму читання/запису файлів із зовнішніх сценаріїв." #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "Виберіть усі" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "Виберіть Немає" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "Інвертувати виділення" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "Виберіть за елементом…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "Виберіть за атомним індексом…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "Виберіть за залишком…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "Виберіть базові атоми…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "Виберіть Sidechain Atoms…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "Виберіть Вода" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "Збільшити вибір" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "Стиснути виділення" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "Створіть новий шар із виділення" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "Змінити Вибір" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "Поз&начення" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "Виберіть елемент" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "Виберіть Backbone" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "Виберіть Sidechain" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "Виберіть атоми за індексом" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "Атоми для вибору:" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "Виберіть Atom" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "Виберіть атоми за залишком" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "Залишки для вибору:" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "Виберіть Залишок" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "Виберіть" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "Ctrl+5" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Позначене" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" "Інструмент виділення (%1) \n" "\n" "Ліва миша: клацніть, щоб вибрати окремі атоми, залишки або фрагменти \n" "\tПеретягніть, щоб вибрати діапазон атомів \n" "Права кнопка миші: клацніть за межами молекули, щоб очистити вибір \n" "Використовуйте Ctrl, щоб перемкнути виділення, і Shift, щоб додати до " "виділення. \n" "Подвійне клацання: виділення цілого фрагмента." #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "Атоми фарби" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "Інструмент виділення" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "Новий шар" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "Сприйняти Космічну Групу…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "Симетризувати" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "Заповнити елементну комірку…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "Спростити до асиметричного модуля" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "Установити допуск…" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "Космічна група" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "Заповніть симетричні атоми на основі кристалічної просторової групи." #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "Сприймайте Космічну Групу" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "Групу простору вже встановлено на: %1.\n" "Ви бажаєте перезаписати його?" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "провал" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "Помилка сприйняття космічної групи.\n" "Бажаєте спробувати знову з іншим допуском?" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "Примітивне скорочення" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "Наразі встановлено значення допуску: %1.\n" "Продовжувати цей допуск?" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Примітивне скорочення не вдалося.\n" "Будь ласка, перевірте свій кристал і повторіть спробу з іншим допуском." #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Не вдалося стандартизувати комірку.\n" "Будь ласка, перевірте свій кристал і повторіть спробу з іншим допуском." #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "Помилка симетризації.\n" "Будь ласка, перевірте свій кристал і повторіть спробу з іншим допуском." #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 msgid "Avogadro2" msgstr "Авогадро2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "Виберіть допуск в Å:" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "Міжнародні" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "Голл" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "Германн-Моген" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "Виберіть Space Group" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "Космічна Група" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "Особливості просторової групи для кристалів." #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "Ділянка спектрів…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 msgid "Spectra" msgstr "спектри" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "Відображення графіків спектрів." #: qtplugins/spectra/spectradialog.cpp:436 msgid "Infrared" msgstr "Інфрачервоний" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "Раман" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "ЯМР" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "електронні" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "Круговий дихроїзм" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "Щільність станів" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Вибір кольору тла" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Вибір кольору тексту" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "Вибір кольору обчислених спектрів" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "Вибір кольору імпортованих спектрів" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "Довжина хвилі (нм)" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "Коливальні спектри" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "Хвильові числа (см⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "Спосіб передавання" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "Раманівські спектри" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "Інтенсивність" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "Спектри ЯМР" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "Хімічний зсув (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "Електронні спектри" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Енергія (еВ)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "Спектри кругового дихроїзму" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "Щільність" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "Молекулярні орбіталі…" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "Орбітальне вікно" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "Відображення орбітальних списків." #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Орбіталь" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "Симетрія" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Стан" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "ВЗМО" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "НЗМО" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "Молекулярні орбіталі" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "Розчинник доступний" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "Розчинник виключений" #: qtplugins/surfaces/surfacedialog.cpp:163 msgid "Molecular Orbital" msgstr "Молекулярна Орбіталь" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Електронна щільність" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "Щільність обертання" #: qtplugins/surfaces/surfacedialog.cpp:185 #, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "З файлу" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "Створення поверхонь…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "Відобразіть поверхню Ван-дер-Ваальса." #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "Відобразіть молекулярну поверхню Ван-дер-Ваальса." #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "Зробіть молекулярну поверхню доступною для розчинника." #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "Відобразіть молекулярну поверхню, виключену з розчинників." #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "Відобразіть молекулярну орбіталь." #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "Відобразіть електронну густину." #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "Візуалізуйте щільність обертання." #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "Виконайте візуалізацію куба, що надається разом із файлом." #: qtplugins/surfaces/surfaces.cpp:586 msgid "Calculating electron density" msgstr "Обчислення електронної густини" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "Розрахунок спінової щільності" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "Розрахунок молекулярної орбіталі %L1" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "Фільм AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "Експорт фільму" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "Фільм MP4 (*.mp4);;Фільм AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Поверхні" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "Читання та візуалізація поверхонь." #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "Відобразіть сцену у файлі SVG." #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "Клас" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "Симетрія…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "Забезпечте функціональність симетрії." #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "Відобразити елементи симетрії." #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, qt-format msgid "Group %1" msgstr "Група %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "Ctrl+3" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "Шаблон" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" "Інструмент шаблону (%1) \n" "\n" "Вставні фрагменти, в тому числі металеві центри. \n" "Виберіть елемент і координаційну геометрію, а потім натисніть, щоб вставити " "фрагмент. \n" "\n" "Виберіть ліганд або функціональну групу та натисніть на атом водню, щоб " "приєднати його." #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "Буфер обміну" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "Вставити шаблон" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "Вставте ліганд" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "Інструмент шаблону" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "Просте відображення сфер VdW." #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "Вібраційні режими…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "Показати діалогове вікно режимів вібрації." #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "Встановіть режим вібрації." #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "Встановіть амплітуду коливань." #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "Запустіть вібраційну анімацію." #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "Зупиніть вібраційну анімацію." #: qtplugins/vibrations/vibrations.h:33 msgid "Vibrations" msgstr "Вібрації" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "Відображення вібраційних режимів." #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "VRML Рендер…" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;Текстовий файл (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "Візуалізуйте сцену за допомогою VRML." #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "Відобразіть молекулу як каркас." #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "Розрахувати структуру смуги…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Яемоп" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "Неможливо обчислити смугову структуру: немає елементарної комірки!" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "Помилка виконання Yaehmop із такою помилкою:\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "Не вдалося прочитати вихідну структуру смуги з Yaehmop!" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" "У вивідних даних Yaehmop знайдено лише одну особливу точку k! Потрібно два " "або більше!" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "група %1" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "Рівень Фермі" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "Не вдається знайти Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "Помилка: %1 не вдалося запустити" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "Введення Yaehmop" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Яемоп" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "Виконайте розширені обчислення Хюккеля за допомогою yaehmop." #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "Діалогове вікно" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Форма" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "Параметри розрахунку" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "Текст-заповнювач…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "Скинути" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "Сценарій налагодження…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "Надіслати розрахунок…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "Зберегти введені дані…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "Черга та програма:" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "Оновити" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" "

      Кількість ядер процесора, яку потрібно зарезервувати " "для цієї роботи.

      " #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "Ядра процесора:" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" "

      Видаліть віддалені робочі файли після завершення " "роботи. Результати все одно будуть спочатку скопійовані в локальний кеш " "завдань MoleQueue.

      " #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "Видалити віддалені файли після завершення:" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" "

      Поставте прапорець, щоб за умовчанням це завдання не " "відображалося в графічному інтерфейсі користувача MoleQueue.

      " #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "Приховати роботу в MoleQueue:" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" "

      Показувати системне спливаюче сповіщення, коли статус " "завдання змінюється.

      " #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "Показати сповіщення про прогрес:" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "Відкрити вихід після завершення:" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "Перейменувати елементи" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "Вставити фрагмент…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "Фільтр:" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "Вкажіть назву або частину назви для фільтрування списку файлів." #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "Вставити" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "Фрагмент HTML 3DMol" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "&Копіювати в буфер обміну" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "Вхідний файл структури" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "Створити вхідні дані з PDB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB Файл:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "…" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Поле сил:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "РОЗБІР" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "СВЕНСОН" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "Запустіть PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "Завантажити існуючий файл PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "Файл PQR:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "APBS Вхідний файл" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "Зберегти вхідний файл" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "Запустіть APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Успіх!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "Завантажити файл структури" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "Завантажити файл куба" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) msgid "Partial Charges" msgstr "Часткові збори" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "Модель заряду:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "Допуск на відстань:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "Мінімальна відстань:" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "Об'ємна візуалізація" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "куб" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "Увімкнути об’ємний рендеринг" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "Увімкнути рендеринг поверхні" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "Ізоцінність" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "Існує лише «базове» середовище conda.\n" "Чи хотіли б ви створити нове середовище для Avogadro?\n" "Це створить копію вашого базового середовища.\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "Назва середовища:" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "авогадро" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "Виберіть версію Python, яка використовується для запуску сценаріїв.\n" "Avogadro потрібно перезапустити, щоб зміни набули чинності." #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "Навколишнє середовище:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "Редактор Координат" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "Попереднє налаштування:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "Одиниця вимірювання відстані:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "Ангстрем" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Бор" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Формат:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" "

      Специфікація формату. Кожен символ позначає значення, " "яке потрібно записати для кожного атома:

      # – індекс атома (1, 2, ..., кількість атомів)
      Z – атомний номер (наприклад, " "\"6\" для вуглецю)
      G - Атомний " "номер у стилі GAMESS (наприклад, \"6.0\" для вуглецю)
      N - Назва елемента (наприклад, \"Вуглець\")
      S – символ елемента (наприклад, " "\"C\" для вуглецю)
      L - Мітка " "атома (наприклад, \"C2\" для другого атома вуглецю, \"H1\" для першого атома " "водню)
      x - координата " "положення X
      y - координата " "положення Y
      z - координата " "положення Z
      a - 'a' координата " "решітки (лише кристали)
      b - ' " "b' координата решітки (лише кристали)
      c - координата решітки 'c' (лише кристали)
      _ – літеральний пробіл (\" \"), корисний для " "вирівнювання
      0 - Літерал 0 " "(\"0\"), корисний для прапорців оптимізації
      1 - Літерал 1 (\"1\"), корисний для оптимізації " "прапори

      " #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "Довідка…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "вставити" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "Повернути" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Застосувати" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "вхід CP2K" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Скинути все" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Типові значення" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "Зберегти файл…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "&Просте налаштування" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Заголовок:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "База імен файлів:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "робота" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Обчислення:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Метод:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "Базовий набір:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "Функціональний" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "ММ" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "FF Eмакс Сплайн Спін" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "FF RCUT NB" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "Тип Пуассона EWALD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "Пуассон EWALD Альфа" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "Пуассон EWALD GMAX" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "QM" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "LSD" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "TRUE" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "MAX SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "SCF GUESS" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "ЗОВНІШНІЙ МАКС. SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "ЗОВНІШНІЙ EPS SCF" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "ОТ Т МІНІМІЗЕР" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" "Розширення файлу для перетворення Open Babel (за замовчуванням - Avogadro::" "POSCAR):" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "Параметри суперкомірки" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "Параметри надкомірки" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "Повторень за A:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Повторень за B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Повторень за C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "Редактор елементарної комірки" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "Коміркова матриця:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "Дробова матриця:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "&Перетворення атомів" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "&Застосувати" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "&Повернути" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "С&ховати" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "Масштабування об’єму елементарної комірки" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "Новий &том:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "&Коефіцієнт масштабування:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "Поточний обсяг:" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "Текстова мітка" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Порядок зв’язку:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "Параметри оптимізації геометрії" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "Критерії збіжності" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "Конвергенція енергії:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "Обмеження кроку:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr " одиниць" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " кроки" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "Градієнтна конвергенція:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "Метод оптимізації" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "Силове поле:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "Автовизначення" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Вхідні дані GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "У:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "Мультиплетність:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "На основі:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Заряд:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "Імпортувати з PQR…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "Пошук" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "назва" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "тег" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "синонім" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "формула" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inc hi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "Пошук за: " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "Формула:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "Завантажити" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "Ім'я:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "Вставлення нуклеїнових кислот" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "Побудова ДНК або РНК" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "ДНК" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "РНК" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "Нуклеїнові кислоти:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "Аденін" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "Цитозин" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "Гуанін" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "Послідовність:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "кількість базових пар на оберт спіралі" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "Other" msgstr "інше" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "Базових пар на оберт:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "Ланцюжків:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) msgctxt "single-strand DNA" msgid "Single" msgstr "неодружений" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) msgctxt "double-strand DNA" msgid "Double" msgstr "Двомісний" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "вхід ЛАМПИ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "Введіть коментарі до файлу" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "Виберіть тип одиниці, який буде використано під час імітації." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" " \n" " \n" "

      http://lammps.sandia.gov/doc/units.html

      " #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "одиниці" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "lj" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "real" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "metal" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "c gs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "електрон" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "Потенціал ґрунтової вологи" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "SPC" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "SPC/E" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "Виберіть значення параметра atom_style, використане у файлі даних." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" " \n" " \n" "

      http://lammps.sandia.gov/doc/atom_style.html" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "Стиль атому" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "кут" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "атомний" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "bond" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "заряд" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "диполь" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "еліпсоїд" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "full" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "line" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "мезо" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "молекулярний" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "пери" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "сфери" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "три" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "хвильовий пакет" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "Вкажіть назву, яку буде використано для файла координат." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "Файл даних координат" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "Ансамбль" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "NVT" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "NVE" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "Температура" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "Виберіть кількість ланцюжків Носе-Гувера у канонічному (NVT) ансамблі." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "Ланцюжків НГ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" "Крок за часом під час імітації у одиницях, визначених параметрами розділу " "«Одиниці»." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "Крок за часом" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "Назва файла XYZ для запису даних під час імітації." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "Записати XYZ" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "Кількість вимірів у системі." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "Розмірності" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "Змінити стиль межі за Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "p" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "s" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "f" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "m" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "fs" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "fm" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "Змінити стиль межі за Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "Змінити стиль межі за X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "Виберіть стилі меж у напрямках X, Y та Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "Межа" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "Кількість копій у напрямках X, Y і Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "Копіювання" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "Копіювати напрям X." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "Копіювати напрям Y." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "Копіювати напрям Z." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "Загальна кількість кроків за часом у імітації." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "Загалом кроків" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "Інтервал запису" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "Вкажіть початкові швидкості атомів у імітації." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "Початкові швидкості" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "Виберіть розподіл початкових швидкостей атомів." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "гаусів" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "однорідний" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" "Встановити початкові швидкості атомів, що відповідають цій температурі." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "Усунути лінійний імпульс системи з початкових швидкостей." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "Нульовий імпульс" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "Усунути момент імпульсу з початкових швидкостей." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "Нульовий кутовий імпульс" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "Контролювати термодинамічну вихідну потужність під час імітації." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "Вихід" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "Інтервал виводу" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "2d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "3d" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "Стиль термодинамічного виводу." #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "Одна лінія" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "Багато ліній" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "Використовувати форму" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "Генерувати…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "Дескриптор:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "Перенесення:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "Обертання навколо:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "Початок координат" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "Центр молекули" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "Центр селекції" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "Вісь X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "Вісь Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "Вісь Z" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "рухатися:" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "Вибрані атоми" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "Все інше" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Пошук конформерів" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Метод" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "Кількість конформерів:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Систематичний пошук обертань" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Випадковий пошук обертань" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Середньозважений пошук обертань" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "Пошук за генетичним алгоритмом" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "Оптимізація на конформер:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "Параметри генетичного алгоритма" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "кількість дітей для кожної батьківської геометрії" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "діти:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "частота мутацій (нижча = більш часті мутації)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "Мінливість:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "кількість ідентичних поколінь до досягнення конвергенції" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "Конвергенція:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "Метод оцінки:" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" "метод підрахунку балів для генетичного алгоритму (RMSD = геометрична " "відстань, енергія = найменша енергія)" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "СКВ" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "Алгоритм оптимізації:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "Техніка пошуку лінії:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Найстрімкіший спуск" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "Спряжений градієнт" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "просто" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "Метод Ньютона" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "Обмеження незв’язаних взаємодій" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "Відстань Ван-дер-Ваальса:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "Частота оновлення пари:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "відстань електростатичного відсічення:" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "Å" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "\"Енергія» конвергенції:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "Конструктор сценаріїв OpenMM" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "Сценарій роботи:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "сценарій" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "Вхідні координати:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "input.pdb" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "Топологія введення:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) msgid "Forcefield:" msgstr "Поле Сил:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "БУРШТИН96" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "БУРШТИН99сб" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "ЖУРНАТ99sb-ildn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "ЖУРНАТ99sb-nmr" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "БУРШТИН03" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "БУРШТИН10" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "Модель води:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "TIP3P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "TIP4P-Ew" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "TIP5P" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "Імпліцитний розчинник (OBC)" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "Платформа:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "Reference" msgstr "довідка" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "Open CL" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "CPU" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "CUDA" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "Точність:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "single" msgstr "Неодружений" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "змішаний" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "double" msgstr "подвійний" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "Індекс пристрою:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "Індекс платформи OpenCL:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "Незв'язаний метод:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "Без обрізання" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "Відсікання на періодичному" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "Відсічення періодичне" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "Евальд" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Толерантність Евальда:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "обмеження:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "H Bonds" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "Усі облігації" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "H Кути" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "Допуск обмежень:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "Жорстка вода?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "False" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "Незв'язане відсічення:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr " нм" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "Випадкова початкова швидкість:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "Температура генерації:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "Інтегратор:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "Ланжевен" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "Верлет" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "броунівський" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "Змінна Ланжевен" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "Змінна Верле" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "Крок часу:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr " fs" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "Стійкість до помилок:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "Частота зіткнень:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "/ps" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "Температура:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "Баростат:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "Монте Карло" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "Тиск:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr " атм" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "Баростатний інтервал" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "Репортери:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "Державні дані" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "DCD" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "P DB" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "Інтервал звіту:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "Етапи врівноваження:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "Етапи виробництва:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "Згорнути?" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "Макс. Мінімізація кроків:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "Параметри StateData:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "Індекс кроків" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "час" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "швидкість" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "Прогрес" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "Потенціальна енергія" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "Кінетична енергія" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "Загальна енергія" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "Обсяг" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "Параметри друку PDF" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "Максимальний радіус:" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "Крок (др):" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "Параметри теоретичної рентгенограми" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" "

      Розширення піку біля основи (у градусах).

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" "

      Максимальне значення 2тета в градусах.

      За " "замовчуванням: 162,00°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" "

      Розширення піків біля основи в градусах.

      За " "замовчуванням: 0,52958°

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "Кількість балів:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "Ширина піку:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "Довжина хвилі:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" "

      Довжина хвилі рентгенівського випромінювання в " "ангстремах.

      За замовчуванням: 1,50560 Å

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" "

      Кількість 2тета-точок для створення.

      За " "замовчуванням: 1000

      " #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "Макс. 2*тета:" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "Завантажити вибране" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "Радіус критичної точки:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "Радіус контуру зв’язку:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "Ковалентний" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "Сталий розмір" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "Застосувати колір" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "Візуалізація спектрів" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "Коефіцієнт масштабу:" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "X-Мінімум осі:" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "X-Максимум осі:" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "Зсув:" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "Y-Максимум осі:" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "Y-Мінімум осі:" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "Peak Width:" msgstr "Ширина Піку:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "Піковий поріг:" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "одиниці:" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Вигляд" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Показувати" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" "Імпорт експериментальних спектрів у форматі значень, відокремлених " "табуляторами, для накладання на графік." #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Імпортувати…" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Встановити колір…" #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Імпортовані спектри:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Експортувати…" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Тло:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "Розраховані спектри:" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "Розмір шрифту:" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "12" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "14" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "16" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "18" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "Ширина Лінії:" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "Експортувати дані" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "За&крити" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "&Опції…" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Керування:\n" "Подвійне клацання лівою: відновити типові межі осей\n" "Клацання правою + перетягування: пересування креслення\n" "Клацання середньою + перетягування: збільшення ділянки\n" "Коліщатко гортання: зміна масштабу ділянки навколо вказівника" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "З&авантажити дані…" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "Якість: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "Дуже низький" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "Низька" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "Середня" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "Висока" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "Дуже висока" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "Рендер" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "Налаштувати" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Створення поверхні" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "Поверхня:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "альфа" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "бета-версія" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Color by:" msgstr "Колір за:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "Електростатичний потенціал" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Роздільна здатність:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "Ізоповерхневе значення:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "Згладжування:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Світлий" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "Сильний" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "Обчислити" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "C1" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Молекула" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "Симетрично еквівалентні атоми:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "Симетрія блокування" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "Операції" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "Елементи симетрії:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "Підгрупи" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "Підгрупи:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "Допуск:" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "Щільно" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "Звичайний" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "Вільно" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "Дуже вільний" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "Виявити симетрію" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "Центри" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "Офіційне звинувачення:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "0" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "+1" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "+2" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "+3" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "+4" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "+5" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "+6" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "+7" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "Координація:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "6: Восьмигранний" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "1: Лінійний" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "2: Лінійний" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "3: Тригональна площина" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "4: Чотиригранний" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "4: Квадрат Планар" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "5: Тригональний біпірамідальний" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "5: квадратна піраміда" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "6: Трикутна призма" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "7: П'ятикутна Біпірамідальна" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "8: Квадратна антипризма" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "Ліганди" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "Тип:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "Однозубий" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "Двозубий" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "Тризубий" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "Чотиризубчасті" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "Шестизубчастий" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "Тактильний" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "З буфера обміну" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "Ліганд:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "Groups" msgstr "Групи" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "Група:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "амід" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "карбоксилат" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "складний ефір" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "етилен" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "етин" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "нітро" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "феніл" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "фосфат" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "сульфонат" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "Вібраційні режими" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "Амплітуда:" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "Запустіть анімацію" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "Зупинити анімацію" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "Гурт Yaehmop" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "Мін. y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr " еВ" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" "

      Рівень Фермі має бути відомий, перш ніж ставити " "прапорець. Ви можете виявити рівень Фермі, виконавши обчислення щільності " "станів і відобразивши дані (вони будуть у верхній частині даних). Крім того, " "якщо виконується обчислення щільності станів, тут автоматично буде " "встановлено рівень Фермі, який було виявлено під час обчислення щільності " "станів.

      Якщо цей прапорець позначено, переконайтеся, що рівень Фермі " "правильний. встановлюється у вікні обертання праворуч.

      За " "замовчуванням: вимкнено

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "Сюжет Фермі?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" "

      Відрегулюйте енергії так, щоб нуль був Фермі? " "Доступно, лише якщо ми будуємо графік рівня Фермі.


      За " "умовчанням: вимкнено

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "Нуль Фермі?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "# k-точок, що сполучають спеціальні k-точки:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "Спеціальні k-точки" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "Макс. y: " #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "

      Рівень Фермі

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" "

      Введіть такі спеціальні k-точки:

      L 0,5 0,5 0,5

      G 0,0 0,0 0,0

      X 0,5 0,0 0,5

      Тобто , <символ> <" "x> <y> <z> де x, y і z є дробові зворотні просторові " "координати. Буде намальовано лінії, які з’єднуватимуть ці k-точки на графіку " "в тому порядку, у якому ви їх розмістили. Зауважте, що орієнтація вашої " "комірки може мати вплив на розташування цих взаємних просторових точок.

      Якщо просторову групу кристала було сприйнято або встановлено, " "спеціальні k точки будуть автоматично заповнені точки високої симетрії " "примітивної комірки для цієї просторової групи. Існує кілька просторових " "груп з різними високими точками симетрії залежно від решітки (наприклад, " "якщо a > b або < б) - що враховується автоматично.

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" " \n" " \n" "

      GM 0.0 0.0 0.0

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" "

      Введіть кількість k-точок, які з’єднуватимуть " "спеціальні k-точки. Більше цих k-точок згладить графік, але обчислення може " "тривати довше.

      За замовчуванням: 40

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" "

      Обмежити y-діапазон на графіку?

      За умовчанням: " "вимкнено

      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "Обмежити y-діапазон?" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" "

      Кількість періодичних розмірів.


      Якщо " "встановлено значення 1, матеріал буде лише періодичним вздовж вектора A " "кристала.


      Якщо встановлено значення 2, матеріал буде " "періодичним уздовж векторів A і B кристала.


      Якщо " "встановлено значення 3, матеріал буде періодичним уздовж векторів A, B і C " "кристала.


      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "Кількість вимірів:" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "Відобразити вхід Yaehmop?" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Vladimir Kurg,svv, ,Launchpad Contributions:,svv, ," "Launchpad Contributions:,svv, ,Launchpad Contributions:,svv, ,Launchpad " "Contributions:,svv, ,Launchpad Contributions:,svv, ,Launchpad Contributions:," "Yuri Chornoivan,svv, ,Launchpad Contributions:,Yuri Chornoivan,svv, ," "Launchpad Contributions:,Yuri Chornoivan,svv, ,Launchpad Contributions:,Yuri " "Chornoivan,svv, ,Launchpad Contributions:,Yuri Chornoivan,svv,yurchor, ," "Launchpad Contributions:,Yuri Chornoivan,svv,yurchor, ,Launchpad " "Contributions:,Andrii Prokopenko,Yuri Chornoivan,svv,yurchor" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "Ваші електронні листи" #~ msgid "eV" #~ msgstr "еВ" #~ msgid "eV)" #~ msgstr "еВ)" #~ msgid "Partial Charge" #~ msgstr "Частковий заряд" #, fuzzy #~| msgid "" #~| "Bond Centric Manipulation Tool\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view.\n" #~| "\n" #~| "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~| "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~| "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "Інструмент керування зв’язками\n" #~ "\n" #~ "Ліва кнопка: \tзатисніть і перетягніть, щоб обертати область перегляду\n" #~ "Середня кнопка: затисніть і перетягніть, щоб збільшити або зменшити\n" #~ "Права кнопка: \tзатисніть і перетягніть, щоб пересунути область " #~ "перегляду\n" #~ "\n" #~ "Затиснута ліва з перетягуванням на зв’язку встановлює площину роботи зі " #~ "зв’язком:\n" #~ "Затиснута ліва і перетягування одного з атомів у зв’язку змінює кут " #~ "зв’язку\n" #~ "Затиснута права і перетягування одного з атомів у зв’язку змінює його " #~ "довжину" #, fuzzy #~| msgid "" #~| "Draw Tool (F8)\n" #~| "\n" #~| "Left Mouse: \tClick and Drag to create Atoms and Bonds\n" #~| "Right Mouse: \tDelete Atom" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "Інструмент малювання (F8)\n" #~ "\n" #~ "Ліва кнопка: \tклацайте і перетягуйте, щоб створити атоми і зв’язки\n" #~ "Права кнопка: \tвилучити атом" #, fuzzy #~| msgid "" #~| "Click to Measure (F12)\n" #~| "\n" #~| "Left Mouse: \tSelect up to three Atoms.\n" #~| "\tDistances are measured between 1-2 and 2-3\n" #~| "\tAngle is measured between 1-3 using 2 as the common point\n" #~| "Right Mouse: \tReset the measurements.Double-Click: \tReset the view." #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "Дії під час вимірювання (F12)\n" #~ "\n" #~ "Ліва кнопка: \tВибір до трьох атомів.\n" #~ "\tВідстані вимірюються у парах 1-2 і 2-3\n" #~ "\tКут вимірюється між парою 1-3 з 2 у його вершині\n" #~ "Права кнопка: \tСкинути результати вимірів.\n" #~ "Подвійне клацання: \tповернути початковий вигляд." #, fuzzy #~| msgid "" #~| "Navigation Tool (F9)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to rotate the view.\n" #~| "Middle Mouse: Click and drag to zoom in or out.\n" #~| "Right Mouse: \tClick and drag to move the view.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "Інструмент навігації (F9)\n" #~ "\n" #~ "Ліва кнопка: \tзатисніть і перетягніть, щоб обертати область перегляду\n" #~ "Середня кнопка: Затисніть і перетягніть, щоб збільшити або зменшити\n" #~ "Права кнопка: \tзатисніть і перетягніть, щоб пересунути область " #~ "перегляду.\n" #~ "Подвійне клацання: \tповернути початковий вигляд." #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Анімація" #, fuzzy #~| msgid "" #~| "Selection Tool (F11)\n" #~| "\n" #~| "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~| "\tDrag to select a range of atoms\n" #~| "Right Mouse: \tClick outside the molecule to clear selection\n" #~| "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~| "Double-Click: \tSelect an entire fragment." #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "Інструмент позначення (F11)\n" #~ "\n" #~ "Ліва кнопка миші: \tклацніть, щоб позначити окремі атоми, залишки або " #~ "фрагменти.\n" #~ "\tПеретягніть, щоб позначити декілька атомів.\n" #~ "Права кнопка миші: \tклацніть поза межами молекул, щоб зняти позначення\n" #~ "Користуйтеся Ctrl для перемикання стану позначення і Shift для додавання " #~ "елементів до позначення.\n" #~ "Подвійне клацання: \tпозначити весь фрагмент." #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Ван-дер-Ваальса" #, fuzzy #~| msgid "" #~| "Manipulation Tool (F10)\n" #~| "\n" #~| "Left Mouse: \tClick and drag to move atoms\n" #~| "Middle Mouse: Click and drag to move atoms further away or closer\n" #~| "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~| "Double-Click: \tReset the view." #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "Інструмент керування (F10)\n" #~ "\n" #~ "Ліва кнопка: \tзатискання і перетягування атомів\n" #~ "Середня кнопка: наближення або віддалення атомів\n" #~ "Права кнопка: \tобертання вибраних атомів. Подвійне клацання: \tповернути " #~ "початковий вигляд." #~ msgid "Geometry" #~ msgstr "Геометрія" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "Вилучити &елементарну комірку" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Номери атомів" #, fuzzy #~ msgid "By Distance" #~ msgstr "Відстань" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Номери атомів" #, fuzzy #~ msgid "&Copy" #~ msgstr "Копіювати все" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "Назва молекули у IUPAC:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Молекулярна вага (г/моль):" #~ msgid "Chemical Formula:" #~ msgstr "Хімічна формула:" #~ msgid "Number of Atoms:" #~ msgstr "Кількість атомів:" #~ msgid "Number of Bonds:" #~ msgstr "Кількість зв’язків:" #~ msgid "TODO" #~ msgstr "ЩЕ НЕ НАПИСАНО" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Розмір переходу:" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "Оптимізація" #, fuzzy #~ msgid "In." #~ msgstr "У:" #, fuzzy #~| msgid "Fragments" #~ msgid "Fragment…" #~ msgstr "Фрагменти" #, fuzzy #~| msgid "DFT Functional" #~ msgid "Functional Groups" #~ msgstr "Функіонал ТФЩ" #~ msgid "Other..." #~ msgstr "Інше…" #, fuzzy #~ msgid "Filename" #~ msgstr "Назва файла:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Завантажити файл" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Навігація" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Навігація" #~ msgid "OK" #~ msgstr "Гаразд" #~ msgid "Cancel" #~ msgstr "Скасувати" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Назва елемента" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "Усі файли" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "ромбоедрична" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Молекула" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Не вказано молекули" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK…" #~ msgid "Fragment..." #~ msgstr "Фрагмент…" #, fuzzy #~ msgid "Crystal..." #~ msgstr "Кристал…" #~ msgid "SMILES..." #~ msgstr "SMILES…" #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Додати атоми водню при pH…" #~ msgid "Atom Properties..." #~ msgstr "Властивості атомів…" #~ msgid "Bond Properties..." #~ msgstr "Властивості зв’язків…" #~ msgid "Angle Properties..." #~ msgstr "Властивості кутів…" #~ msgid "Torsion Properties..." #~ msgstr "Властивості обертання…" #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Властивості молекули…" #~ msgid "Create Surfaces..." #~ msgstr "Створити поверхні…" #, fuzzy #~ msgid "Symmetry..." #~ msgstr "Симетрія" #~ msgid "Insert Fragment..." #~ msgstr "Вставити фрагмент…" #~ msgid "Theory:" #~ msgstr "Теорія:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Відстань (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Обертання" #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "" #~ "Конформація %1\n" #~ "Довжина %2" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "" #~ "Конформація %1\n" #~ "Кут %2" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Кут %1" #~ msgid "Angle" #~ msgstr "Кут" #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "" #~ "Конформація %1\n" #~ "Кут повороту %2" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Обертання %1" #~ msgid "Torsion" #~ msgstr "Обертання" #~ msgid "Energy (kJ/mol)" #~ msgstr "Енергія (кДж/моль)" #~ msgid "Yes" #~ msgstr "Так" #~ msgid "No" #~ msgstr "Ні" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Засіб створення вхідних даних…" #, fuzzy #~ msgid "Import" #~ msgstr "Імпортувати" #~ msgid "Insert SMILES" #~ msgstr "Вставити SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Вставити фрагмент SMILES:" #~ msgid "Insert Crystal" #~ msgstr "Вставити кристал" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Вставити фрагменти молекул для побудови більших молекул" #~ msgid "E&xtensions" #~ msgstr "Р&озширення" #~ msgid "Symmetry Properties..." #~ msgstr "Властивості симетрії…" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Оптимізувати геометричні параметри" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Оптимізація геометричних параметрів" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Додати атоми водню" #, fuzzy #~ msgid "Stopped" #~ msgstr "Зупинити" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Поверхні" #~ msgid "Color by Index" #~ msgstr "порядковими номерами атомів" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "" #~ "Розфарбувати за порядковими номерами атомів (червоний, помаранчевий, " #~ "жовтий, зелений, синій, фіолетовий)." #~ msgid "Color by Partial Charge" #~ msgstr "частковими зарядами атомів" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Розфарбувати за частковим зарядом атома (синій = додатний, червоний = " #~ "від’ємний)." #~ msgid "Custom Color:" #~ msgstr "Інший колір:" #~ msgid "Set custom colors for objects" #~ msgstr "Вказати інші кольори для об’єктів" #~ msgid "Color by Distance" #~ msgstr "відстанями" #~ msgid "Color by distance from the first atom." #~ msgstr "Розфарбувати за відстанню від першого атома." #~ msgid "Color by Element" #~ msgstr "елементами" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Розфарбувати за елементами (вуглець = сірий, кисень = червоний…)." #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "Розфарбувати за залишком (типом амінокислоти, гідрофобністю…)" #~ msgid "SMARTS Pattern:" #~ msgstr "Набор SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Колір позначення:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "набором SMARTS" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "Позначати окремі елементи, які відповідають набору SMARTS." #~ msgid "Ununtrium" #~ msgstr "Унунтрій" #~ msgid "Ununpentium" #~ msgstr "Унунпентій" #~ msgid "Ununseptium" #~ msgstr "Унунсептій" #~ msgid "Ununoctium" #~ msgstr "Унуноктій" #~ msgid "Engines" #~ msgstr "Рушії" #~ msgid "Axes" #~ msgstr "Осі" #~ msgid "Renders the x, y, and z axes at the origin" #~ msgstr "Показ осей x, y і z поблизу початку координат" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "Показ елементів за допомогою кульок (атоми) та стрижнів (зв’язки)" #~ msgid "Dipole" #~ msgstr "Диполь" #~ msgid "Hydrogen Bond" #~ msgstr "Водневі зв’язки" #~ msgid "Renders hydrogen bonds" #~ msgstr "Показ водневих зв’язків" #~ msgid "Select Atom Labels Color" #~ msgstr "Вибір кольору міток атомів" #~ msgid "Select Bond Labels Color" #~ msgstr "Вибір кольору міток зв’язків" #~ msgid "Select Bond Labels Font" #~ msgstr "Вибір шрифту міток зв’язків" #~ msgid "Polygon" #~ msgstr "Полігональний" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Показувати атоми як тетраедри, октаедри та інші багатогранники" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Показувати основу білка смужкою" #~ msgid "Ring" #~ msgstr "Цикл" #~ msgid "Renders rings with colored planes" #~ msgstr "Показувати цикли розфарбованими площинами" #~ msgid "Simple Wireframe" #~ msgstr "Простий каркас" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "" #~ "Показ зв’язків як лінійних стрижнів. Чудово працює для великих молекул." #~ msgid "Van der Waals Spheres" #~ msgstr "Сфери Ван-дер-Ваальса" #~ msgid "Stick" #~ msgstr "Стрижні" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Поверхня електронної щільності, межа = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, межа = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Показ зв’язків як лінійних стрижнів. Чудово працює для дуже великих " #~ "(біо-)молекул." #~ msgid "Trajectory files" #~ msgstr "Файли траєкторій" #~ msgid "DL-POLY HISTORY files" #~ msgstr "Файли HISTORY DL-POLY" #~ msgid "Open Trajectory File" #~ msgstr "Відкриття файла траєкторії" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Додавання суфікса .avi" #~ msgid "Animation..." #~ msgstr "Анімація…" #~ msgid "Cannot read file format of file %1." #~ msgstr "Не вдається визначити формат файла %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Спроба читання файла траєкторії %1 зазнала невдачі." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Слід вказати коректну назву файла .avi" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "" #~ "Віджет GL не було належним чином ініціалізовано для збереження відеоданих" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "" #~ "Некоректна назва файла відео. Слід вказати назву з адресою теки повністю" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Некоректна назва файла відео. Слід вказати назву з адресою теки повністю " #~ "з суфіксом файла .avi." #~ msgid "Could not determine format from filename: %1" #~ msgstr "Не вдалося визначити формат за назвою файла: %1" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Анімація траєкторій, реакції та коливань." #~ msgid "Cartesian Editor" #~ msgstr "Редактор декартових координат" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Для молекули не визначено елементарної комірки — не можна використовувати " #~ "дробові значення координат." #~ msgid "Cartesian Editor..." #~ msgstr "Редактор декартових координат…" #~ msgid "Cartesian editor" #~ msgstr "Редактор декартових координат" #~ msgid "Number of atoms: %1" #~ msgstr "Кількість атомів: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Кількість обертових зв’язків: %1" #~ msgid "Add constraint" #~ msgstr "Додати обмеження" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Для додавання обмеження ваша молекула має містити принаймні один атом" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Для додавання обмеження зв’язку ваша молекула має містити принаймні два " #~ "атома" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Для додавання обмеження на кут ваша молекула має містити принаймні три " #~ "атома" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Для додавання обмеження на кут обертання ваша молекула має містити " #~ "принаймні чотири атома" #~ msgid "&Crystallography" #~ msgstr "&Кристалографія" #~ msgid "&Reduce" #~ msgstr "Сп&ростити" #~ msgid "&Length Unit" #~ msgstr "Од&иниця довжини" #~ msgid "&Angle Unit" #~ msgstr "&Одиниця кутів" #~ msgid "&Coordinate Display" #~ msgstr "Показ к&оординат" #~ msgid "Coordinate &Preservation" #~ msgstr "З&береження координат" #~ msgid "&Matrix Display" #~ msgstr "Показ &матриці" #~ msgid "Hide &Editors" #~ msgstr "Сховати пункти &редагування" #~ msgid "Show &Editors" #~ msgstr "Показати пункти &редагування" #~ msgid "Hide &Property Display" #~ msgstr "Сховати панель &властивостей" #~ msgid "Show &Property Display" #~ msgstr "Показати панель &властивостей" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "Тип ґратки: %1" #~ msgid "Spacegroup: %1" #~ msgstr "Просторова група: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "Об’єм елементарної комірки: %L1%2" #~ msgid "Undefined" #~ msgstr "Не визначено" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "триклінна" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "моноклінна" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "орторомбічна" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "тетрагональна" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "гексагональна" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "кубічна" #~ msgid "Paste Crystal" #~ msgstr "Вставити кристал" #~ msgid "" #~ "Niggli-reduction failed. The input structure's lattice that is confusing " #~ "the Niggli-reduction algorithm. Try making a small perturbation (approx. " #~ "2 orders of magnitude smaller than the tolerance) to the input lattices " #~ "and try again." #~ msgstr "" #~ "Спроба використання спрощення Нігглі зазнала невдачі. Причиною є вхідні " #~ "дані структури ґратки. Спробуйте внести невеличке збурення (приблизно на " #~ "два порядки менше за припустиме відхилення) до вхідних даних ґратки, а " #~ "потім повторіть спробу." #~ msgid "" #~ "Failed to reduce cell after 1000 iterations of the reduction algorithm. " #~ "Stopping." #~ msgstr "" #~ "Не вдалося звести комірку за допомогою 1000 ітерацій алгоритму зведення. " #~ "Спроби припинено." #~ msgid "Rotate To Standard &Orientation" #~ msgstr "Обернути до стандартної &орієнтації" #~ msgid "&Slab..." #~ msgstr "П&лита…" #~ msgid "Perceive Space&group..." #~ msgstr "Визначити п&росторову групу…" #~ msgid "Set &Spacegroup..." #~ msgstr "Встановити просторову &групу…" #~ msgid "&Fill Unit Cell" #~ msgstr "&Заповнити елементарну комірку" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "Заповнити елементарну комірку на основі поточної просторової групи." #~ msgid "Reduce to &Asymmetric Unit" #~ msgstr "Спростити до &асиметричного модуля…" #~ msgid "Remove atoms in equivalent positions (inverse of Fill Unit Cell)." #~ msgstr "" #~ "Вилучити атоми у еквівалентних позиціях (обернене до «Заповнити комірку " #~ "модуля»)" #~ msgid "Sy&mmetrize Crystal" #~ msgstr "С&иметризувати кристал" #~ msgid "Reduce Cell (&Primitive)" #~ msgstr "Звести комірку (до &базової)" #~ msgid "&Bohr" #~ msgstr "&бор" #~ msgid "&Nanometer" #~ msgstr "&нанометр" #~ msgid "&Picometer" #~ msgstr "&пікометр" #~ msgid "&Degree" #~ msgstr "&градус" #~ msgid "&Radian" #~ msgstr "&радіан" #~ msgid "Display &cartesian coordinates" #~ msgstr "Показувати вісі &декартової системи координат" #~ msgid "Preserve &Cartesian Coordinates During Cell Modification" #~ msgstr "Зберігати &декартові вісі координат під час змін геометрії комірки" #~ msgid "Preserve &Fractional Coordinates During Cell Modification" #~ msgstr "Зберігати &місцеві вісі координат під час змін у геометрії комірки" #~ msgid "Display &cartesian matrix" #~ msgstr "Показувати матрицю &декартової системи" #~ msgid "Display &fractional matrix" #~ msgstr "Показувати матрицю &місцевої системи" #~ msgid "Display as &column vectors" #~ msgstr "Показувати як вектори-стовп&чики" #~ msgid "&Crystal View Options..." #~ msgstr "Параметри перегляду &кристалів…" #~ msgid "" #~ "

      Perceived spacegroup %1, Hall symbol %2, Hermann-Mauguin symbol %3." #~ "

      Cell can be symmetrized into a conventional setting, do you wish to " #~ "do so? Actions that make use of symmetry (e.g. supercell builder) require " #~ "this.

      " #~ msgstr "" #~ "

      Видима просторова група %1, символ Голла %2, символ Германна-Могена %3." #~ "

      Комірку можна симетризувати до загальноприйнятої конфігурації. " #~ "Хочете, щоб програма це зробила? Це потрібно для дій, у яких " #~ "використовується симетрія (наприклад, побудови суперкомірок).

      " #~ msgid "Set Spacegroup" #~ msgstr "Встановлення просторової групи" #~ msgid "" #~ "There is not a spacegroup set for this document.\n" #~ "\n" #~ "Would you like to set a spacegroup now?" #~ msgstr "" #~ "У цьому документі не встановлено просторової групи.\n" #~ "\n" #~ "Бажаєте встановити просторову групу зараз?" #~ msgid "" #~ "Spacegroup P1 detected -- cannot symmetrize to this spacegroup.\n" #~ "\n" #~ "Would you like to try again with a different tolerance?" #~ msgstr "" #~ "Виявлено просторову групу P1 — таку просторову групу неможливо " #~ "симетризувати.\n" #~ "\n" #~ "Бажаєте повторити спробу з іншим припустимим відхиленням?" #~ msgid "Symmetrize Crystal" #~ msgstr "Симетризація кристала" #~ msgid "Wrap Atoms To Cell" #~ msgstr "Згорнути атоми до комірки" #~ msgid "Reduce to Niggli Cell" #~ msgstr "Звести до комірки Нігглі" #~ msgid "Select tolerance in current cartesian units:" #~ msgstr "" #~ "Виберіть припустиме відхилення у поточних одиницях декартової системи:" #~ msgid "Crystallography" #~ msgstr "Кристалографія" #~ msgid "Construct and analyze periodic structures." #~ msgstr "Побудова та аналіз періодичних структур." #~ msgid "" #~ "The input is not formatted as one of\n" #~ "the following supported formats:\n" #~ "\n" #~ msgstr "" #~ "Формат вхідних даних не відповідає\n" #~ "жодному з підтримуваних форматів:\n" #~ "\n" #~ msgid "VASP Format\n" #~ msgstr "Формат VASP\n" #~ msgid "Bad Compostion" #~ msgstr "Помилкове компонування" #~ msgid "" #~ "The identities field must contain the same number of space delimited " #~ "entries as line 6 of the POSCAR." #~ msgstr "" #~ "Поле профілів має містити ту саму кількість записів, відокремлених " #~ "пробілами, що і рядок 6 даних POSCAR." #~ msgid "Cartesian Coordinates" #~ msgstr "Декартові координати" #~ msgid "Fractional Coordinates" #~ msgstr "Місцеві координати" #~ msgctxt "Unit cell matrix, arg is vector style (row or column" #~ msgid "Cell Matrix (%1)" #~ msgstr "Матриця комірок (%1)" #~ msgid "Set Unit Cell Matrix" #~ msgstr "Встановлення матриці елементарної комірки" #~ msgid "Set Unit Cell Params" #~ msgstr "Встановлення параметрів елементарної комірки" #~ msgid "Working..." #~ msgstr "Обробка даних…" #~ msgid "Build" #~ msgstr "Побудувати" #~ msgid "Cut Slab From Crystal" #~ msgstr "Вирізати плиту з кристала" #~ msgid "No GLWidget?" #~ msgstr "Немає GL-віджета?" #~ msgid "Please select one or more atoms." #~ msgstr "Будь ласка, позначте один або декілька атомів." #~ msgid "Trajectory..." #~ msgstr "Траєкторія…" #~ msgid "Open chemical file format" #~ msgstr "Відкриття файла формату хімічних даних" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Файли хімічних даних (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "Відкрити файл параметрів" #~ msgid "Chemical files (*.parm7)" #~ msgstr "Файли хімічних даних (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "Імпорт траєкторії" #~ msgid "Import trajectory files" #~ msgstr "Імпортувати файли траєкторій" #~ msgid "Calculate Energy" #~ msgstr "Обчислення енергії" #~ msgid "Conformer Search..." #~ msgstr "Пошук конформерів…" #~ msgid "Constraints..." #~ msgstr "Обмеження…" #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Не вдалося встановити поточне вибране поле сили для цієї молекули. " #~ "Перемикання на однорідне поле сили." #~ msgid "Geometric Optimization" #~ msgstr "Оптимізація геометричних параметрів" #~ msgid "Systematic Rotor Search" #~ msgstr "Систематичний пошук обертань" #~ msgid "Random Rotor Search" #~ msgstr "Випадковий пошук обертань" #~ msgid "Weighted Rotor Search" #~ msgstr "Середньозважений пошук обертань" #~ msgid "Genetic Algorithm Search" #~ msgstr "Пошук за генетичним алгоритмом" #~ msgid "ForceField" #~ msgstr "Поле сил" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Оптимізація молекул та створення конформерів за допомогою полів сил " #~ "молекулярної механіки" #~ msgid "&Vector Graphics..." #~ msgstr "&Векторна графіка…" #~ msgid "Common vector image formats" #~ msgstr "Типові формати векторної графіки" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "Експорт у форматі векторної графіки" #~ msgid "Change H to Methyl" #~ msgstr "Заміна H на метил" #~ msgid "H to Methyl" #~ msgstr "H у метил" #~ msgid "H2Methyl" #~ msgstr "H->Метил" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Перетворити атоми водню на метилові групи" #~ msgid "Add or remove hydrogens" #~ msgstr "Додати або вилучити атоми водню" #~ msgid "Insert DNA/RNA chains" #~ msgstr "Вставити ланцюжки ДНК або РНК" #~ msgid "Peptide..." #~ msgstr "Пептид…" #~ msgid "Insert oligopeptide sequences" #~ msgstr "Вставити олігопептидну послідовність" #~ msgid "Invert Chirality" #~ msgstr "Інвертувати хіральність" #~ msgid "InvertChiral" #~ msgstr "Інверсія хіральності" #~ msgid "Invert chiral centers" #~ msgstr "Інверсія центрів хіральності" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "невідома" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Оцінка дипольного моменту (D):" #~ msgid "Display standard molecular properties." #~ msgstr "Показати стандартні властивості молекули." #~ msgid "Fetch by chemical name..." #~ msgstr "Звантажити за назвою…" #~ msgid "Fetch from URL..." #~ msgstr "Звантажити за адресою…" #~ msgid "PDB Entry" #~ msgstr "Запис PDB" #~ msgid "PDB entry to download." #~ msgstr "Запис PDB для звантаження." #~ msgid "URL" #~ msgstr "Адреса" #~ msgid "URL of molecule to download." #~ msgstr "Адреса молекули для звантаження." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Не вдалося завантажити вказану молекулу: %1" #~ msgid "Network Fetch" #~ msgstr "Звантаження з мережі" #~ msgid "Fetch molecule files over the network." #~ msgstr "Звантаження файлів молекул з мережі." #~ msgid "OrcaExtension Warning" #~ msgstr "Попередження OrcaExtension" #~ msgid "OrcaExtension" #~ msgstr "OrcaExtension" #~ msgid " No vibration data found!" #~ msgstr " Не знайдено даних щодо вібрації!" #~ msgid " No vibration data found or molecule changed outside Orca Plugin!" #~ msgstr "" #~ " Не знайдено даних щодо вібрації або дані молекули змінено поза межами " #~ "додатка Orca!" #~ msgid "Selected displacement data don't fit to the actual molecule!" #~ msgstr "Вибрані дані щодо зміщень не відповідають справжній молекулі!" #~ msgid "extended Geometry File" #~ msgstr "файл розширеної геометрії" #~ msgid "Read Orca Outputfile" #~ msgstr "Прочитати файл виведених даних Orca" #~ msgid "no file found" #~ msgstr "файла не знайдено" #~ msgid "Somethings wrong in the file structure" #~ msgstr "Щось не так із структурою файла" #~ msgid "Somethings wrong in the file structure - unitcells" #~ msgstr "Щось не так із структурою файла — unitcells" #~ msgid "Something is wrong in the IR output! " #~ msgstr "Щось не так у виведених даних IR! " #~ msgid "Something is wrong in the raman output! " #~ msgstr "Щось не так у виведених даних raman! " #~ msgid "Something is wrong in the orbital energy output! " #~ msgstr "Щось не так у виведених даних щодо орбітальної енергії! " #~ msgid "No geometry found in file!" #~ msgstr "У файлі не виявлено геометричних параметрів!" #~ msgid "" #~ "Molecule of the file does not fit the actual molecule structure! \n" #~ " Would you like to override the actual molecule?" #~ msgstr "" #~ "Молекула з файла не відповідає дійсній структурі молекули! \n" #~ " Хочете перевизначити параметри дійсної молекули?" #~ msgid "Could not read file!" #~ msgstr "Не вдалося прочитати файл!" #~ msgid "Analyse Orca Output..." #~ msgstr "Проаналізувати виведені дані Orca…" #~ msgid "&Orca" #~ msgstr "&Orca" #~ msgid "Orca Test Example" #~ msgstr "Тестовий приклад Orca" #~ msgid "Provides a dialog box with the words \"H...\"." #~ msgstr "Відкриває діалогове вікно із словами «H…..»." #~ msgid "ORCA Input Deck" #~ msgstr "Панель введення ORCA" #~ msgid "Show Preview" #~ msgstr "Показати попередній перегляд" #~ msgid "Hide Preview" #~ msgstr "Приховати попередній перегляд" #~ msgid "RijCosX option not available for the selected DFT functional!" #~ msgstr "" #~ "Варіантом RijCosX для вибраного функціоналу ТФЩ (DFT) скористатися " #~ "неможливо!" #~ msgid "" #~ "RijCosX not available for the selected DFT functional! \n" #~ "RijCosX option reset!" #~ msgstr "" #~ "RijCosX не можна скористатися для вибраного функціоналу ТФЩ (DFT)! \n" #~ "Пункт щодо RijCosX скинуто!" #~ msgid "" #~ "Unsaved changes are made in the actual preview text! \n" #~ " Generating a new preview will lose all changes! \n" #~ " Would you like to override them anyway?" #~ msgstr "" #~ "До тексту попереднього перегляду внесено незбережені зміни! \n" #~ " Створення нового вікна попереднього перегляду призведе до втрати змін! \n" #~ " Хочете відкинути ці зміни?" #~ msgid " OrcaSpectra::No vibration data found!" #~ msgstr " OrcaSpectra::не знайдено даних щодо вібрації!" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Зберегти оброблене зображення POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Файли зображень (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray…" #~ msgid "No valid filename was supplied." #~ msgstr "Не вказано коректної назви файла." #~ msgid "Does not compute." #~ msgstr "Не обчислювати." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Ви наказали не виконувати пряму обробку за допомогою POV-Ray і не " #~ "зберігати файл POV-Ray. Отже виведені дані не буде збережено. Це справді " #~ "те, чого ви бажали?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "" #~ "Не вдалося записати дані до файла %1. Чи є у вас належні права доступу на " #~ "запис?" #~ msgid "POV-Ray failed to start." #~ msgstr "Не вдалося запустити POV-Ray." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "Не вдалося запустити POV-Ray. Ймовірно, шлях до виконуваного файла " #~ "вказано з помилкою." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Створити файли POV-Ray і обробити їх за допомогою програми POV-Ray, що " #~ "керується командним рядком." #~ msgid "Conformer Properties..." #~ msgstr "Властивості конформерів…" #~ msgid "Python Terminal" #~ msgstr "Термінал Python" #~ msgid "pythonTerminalDock" #~ msgstr "Панель термінала python" #~ msgid "Interactive python scripting terminal" #~ msgstr "Інтерактивний термінал скриптів python" #~ msgid "Abinit Input Deck Generator Warning" #~ msgstr "Попередження засобу для створення вхідних файлів Abinit" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Abinit input deck preview pane?" #~ msgstr "" #~ "Бажаєте оновити текст попереднього перегляду з втратою всіх змін, " #~ "внесених за допомогою панелі попереднього перегляду вхідних даних Abinit?" #~ msgid "Abinit_Input_Deck" #~ msgstr "Набір вхідних даних Abinit" #~ msgid "Abinit Running." #~ msgstr "Abinit запущено." #~ msgid "" #~ "Abinit is already running. Please wait until the previous calculation is " #~ "finished." #~ msgstr "Abinit вже запущено. Зачекайте на завершення попередніх обчислень." #~ msgid "Abinit Not Installed." #~ msgstr "Abinit не встановлено." #~ msgid "The abinit executable cannot be found." #~ msgstr "Не вдалося виявити виконуваний файл Abinit." #~ msgid "" #~ "Pseudos (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgstr "" #~ "псевдо (*.hgh *.gth *.pspgth *.fhi *.pspnc *.paw *.mt *.UPF *.upf *.psp)" #~ msgid "abinit did not start. Perhaps it is not installed correctly." #~ msgstr "Abinit не запущено. Ймовірно, програму не встановлено." #~ msgid "Running Abinit calculation..." #~ msgstr "Виконуються розрахунки за допомогою Abinit…" #~ msgid "Abinit did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Abinit не запущено належним чином. Ймовірно, програму встановлено з " #~ "помилками." #~ msgid "Dalton Input File Generator Warning" #~ msgstr "Попередження засобу для створення вхідних файлів Dalton" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "" #~ "Бажаєте оновити текст попереднього перегляду з втратою всіх змін, " #~ "внесених за допомогою панелі попереднього перегляду файла вхідних даних " #~ "Dalton?" #~ msgid "QM Matches" #~ msgstr "Відповідники КМ" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Вибір ЕПФ…" #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Вибір параметрів КМ…" #~ msgid "Delete" #~ msgstr "Вилучити" #~ msgid "You must make a selection!" #~ msgstr "Вам слід позначити хоч щось!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Неможливо скористатися перетворенням SMILES" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Перетворення форматів SMILES недоступне!" #~ msgid " (" #~ msgstr " (" #~ msgid "qm" #~ msgstr "qm" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "" #~ "Створення файлів вхідних даних для пакунка квантохімічних обчислень GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Змінено додаткові параметри" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Змінено додаткові параметри.\n" #~ "Відкинути внесені зміни?" #~ msgid "Advanced Settings Reset" #~ msgstr "Скидання додаткових параметрів" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Ви справді бажаєте відкинути зміни, внесені до додаткових параметрів?\n" #~ "Змінені значення буде втрачено!" #~ msgid "Basic Settings Reset" #~ msgstr "Скидання основних параметрів" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Ви справді бажаєте відкинути зміни, внесені до основних параметрів?\n" #~ "Змінені значення буде втрачено!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "Попередження засобу для створення вхідних файлів GAMESS-UK" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "GAMESS-UK input deck preview pane?" #~ msgstr "" #~ "Бажаєте оновити текст попереднього перегляду з втратою всіх змін, " #~ "внесених за допомогою панелі попереднього перегляду вхідних даних GAMESS-" #~ "UK?" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "Панель імпорту з GAMESS-UK" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Попередження засобу для створення вхідних файлів Gaussian" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Gaussian input deck preview pane?" #~ msgstr "" #~ "Бажаєте оновити текст попереднього перегляду з втратою всіх змін, " #~ "внесених за допомогою панелі попереднього перегляду вхідних даних " #~ "Gaussian?" #~ msgid "Gaussian Input Deck" #~ msgstr "Набір вхідних даних Gaussian" #~ msgid "Gaussian Running." #~ msgstr "Запущено Gaussian." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "" #~ "Gaussian вже запущено. Зачекайте на завершення попередніх обчислень." #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian не встановлено." #~ msgid "The G03 executable, cannot be found." #~ msgstr "Не вдалося виявити виконуваний файл G03." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03 не запущено. Ймовірно, програму не встановлено." #~ msgid "Running Gaussian calculation..." #~ msgstr "Виконуються розрахунки за допомогою Gaussian…" #~ msgid "G03 Crashed." #~ msgstr "Роботу G03 завершено у аварійному режимі." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "Gaussian не запущено належним чином. Ймовірно, програму встановлено з " #~ "помилками." #~ msgid "&Abinit..." #~ msgstr "&Abinit…" #~ msgid "&Dalton..." #~ msgstr "&Dalton…" #~ msgid "&Gaussian..." #~ msgstr "&Gaussian…" #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO…" #~ msgid "&NWChem..." #~ msgstr "&NWChem…" #~ msgid "&PSI4..." #~ msgstr "&PSI4…" #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem…" #~ msgid "&TeraChem..." #~ msgstr "&TeraChem..." #~ msgid "Lammps Input Deck Generator Warning" #~ msgstr "Попередження засобу для створення вхідних файлів Lammps" #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Попередження засобу для створення вхідних файлів Molpro" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "" #~ "Бажаєте оновити текст попереднього перегляду з втратою всіх змін, " #~ "внесених за допомогою панелі попереднього перегляду вхідних даних Molpro?" #~ msgid "Molpro Input Deck" #~ msgstr "Набір вхідних даних Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Попередження засобу створення вхідних даних MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Набір вхідних даних MOPAC" #~ msgid "MOPAC Running." #~ msgstr "Запущено MOPAC." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC вже запущено. Зачекайте на завершення попередніх обчислень." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC не встановлено." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Не вдалося виявити виконуваний файл MOPAC." #~ msgid "MOPAC failed to start." #~ msgstr "Не вдалося запустити MOPAC." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC не запущено. Ймовірно, програму не встановлено." #~ msgid "Running MOPAC calculation..." #~ msgstr "Виконуються розрахунки за допомогою MOPAC…" #~ msgid "MOPAC Crashed." #~ msgstr "Роботу MOPAC завершено у аварійному режимі." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC не запущено належним чином. Ймовірно, програму встановлено з " #~ "помилками." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "Попередження засобу для створення вхідних файлів NWChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "Бажаєте оновити текст попереднього перегляду з втратою всіх змін, " #~ "внесених за допомогою панелі попереднього перегляду вхідних даних NWChem?" #~ msgid "NWChem Input Deck" #~ msgstr "Набір вхідних даних NWChem" #~ msgid "Psi4 Input Deck Generator Warning" #~ msgstr "Попередження засобу для створення вхідних файлів Psi4" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Psi4 input deck preview pane?" #~ msgstr "" #~ "Бажаєте оновити текст попереднього перегляду з втратою всіх змін, " #~ "внесених за допомогою панелі попереднього перегляду вхідних даних Psi4?" #~ msgid "Psi4 Input Deck" #~ msgstr "Набір вхідних даних Psi4" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Попередження засобу для створення вхідних файлів Q-Chem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "Бажаєте оновити текст попереднього перегляду з втратою всіх змін, " #~ "внесених за допомогою панелі попереднього перегляду вхідних даних Q-Chem?" #~ msgid "QChem Input Deck" #~ msgstr "Набір вхідних даних Q-Chem" #~ msgid "TeraChem Input Deck Generator Warning" #~ msgstr "Попередження засобу для створення вхідних файлів TeraChem" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "TeraChem input deck preview pane?" #~ msgstr "" #~ "Бажаєте оновити текст попереднього перегляду з втратою всіх змін, " #~ "внесених за допомогою панелі попереднього перегляду вхідних даних " #~ "TeraChem?" #~ msgid "TeraChem Input Deck" #~ msgstr "Набір вхідних даних TeraChem" #~ msgid "Select SMARTS..." #~ msgstr "Позначити SMARTS…" #~ msgid "Add Named Selection..." #~ msgstr "Додати іменоване позначення…" #~ msgid "SMARTS Selection" #~ msgstr "Позначення за SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Позначити відповідно до набору SMARTS" #~ msgid "There is no current selection." #~ msgstr "Зараз нічого не позначено." #~ msgid "Add Named Selection" #~ msgstr "Додати іменоване позначення" #~ msgid "Name cannot be empty." #~ msgstr "Назва не може бути порожньою." #~ msgid "There is already a selection with this name." #~ msgstr "Позначення з такою назвою вже існує." #~ msgid "Selections" #~ msgstr "Позначення" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "Позначити атоми, зв’язки, залишки…" #~ msgid "GLSL Shaders..." #~ msgstr "GLSL-шейдери…" #~ msgid "Open a vertex shader source file" #~ msgstr "Відкрити файл кодів вершинного шейдера" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Файли вершинних шейдерів (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "Відкрити файл кодів шейдера фрагментів" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Файли шейдерів фрагментів (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Відкриття файла параметрів шейдера" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Файли параметрів шейдерів (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL-шейдери" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "Завантаження і використання GLSL-шейдерів OpenGL 2.0" #~ msgid "Intensity (arb. units)" #~ msgstr "Інтенсивність (довільні одиниці)" #~ msgid "Density of States (states/cell)" #~ msgstr "Щільність станів (станів/комірку)" #~ msgid "Density of States (states/atom)" #~ msgstr "Щільність станів (станів/атом)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Щільність станів (станів/валентний електрон)" #~ msgid "Transmittance (%)" #~ msgstr "Пропускання (у %)" #~ msgid "Absorbance (%)" #~ msgstr "Поглинання (у %)" #~ msgid "No intensities" #~ msgstr "Без інтенсивностей" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Серед даних коливань молекули, яку ви завантажили, немає даних щодо " #~ "інтенсивності. Для візуалізації встановлено довільні значення " #~ "інтенсивностей." #~ msgid "Activity" #~ msgstr "Активність" #~ msgid "X Axis" #~ msgstr "Вісь X" #~ msgid "Y Axis" #~ msgstr "Вісь Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Параметри &інфрачервоного спектра" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "ЯМР" #~ msgid "&NMR Spectra Settings" #~ msgstr "Параметри спектрів &ЯМР" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "Щільність станів" #~ msgctxt "Ultra-Violet spectrum" #~ msgid "UV" #~ msgstr "УФ" #~ msgid "&UV Settings" #~ msgstr "Параметри &УФ" #~ msgid "&CD Settings" #~ msgstr "Параметри &кругового дихромізма" #~ msgid "&Raman Settings" #~ msgstr "Параметри &комбінаційного розсіювання" #~ msgid "No data" #~ msgstr "Немає даних" #~ msgid "Dark" #~ msgstr "Темний" #~ msgid "Publication" #~ msgstr "Публікація" #~ msgid "Handdrawn" #~ msgstr "Малюнок вручну" #~ msgid "New Scheme" #~ msgstr "Нова схема" #~ msgid "Confirm Scheme Removal" #~ msgstr "Підтвердження вилучення схеми" #~ msgid "Really remove current scheme?" #~ msgstr "Ви справді бажаєте вилучити поточну схему?" #~ msgid "Change Scheme Name" #~ msgstr "Зміна назви схеми" #~ msgid "Enter new name for current scheme:" #~ msgstr "Введіть нову назву поточної схеми:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Значення, відокремлені табуляторами (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Значення, відокремлені табуляторами" #~ msgid "Comma Separated Values" #~ msgstr "Значення, відокремлені комами" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Spectra Import" #~ msgstr "Імпортування спектрів" #~ msgid "Unknown extension: %1" #~ msgstr "Невідомий суфікс файла: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "IR-спектр з PWscf (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "IR-спектр з Turbomole (control)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "UV-спектр з Turbomole (spectrum)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "CD-спектр з Turbomole (cdspectrum)" #~ msgid "Data Format" #~ msgstr "Формат даних" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Формат:" #~ msgid "Load Spectral Data" #~ msgstr "Завантаження спектральних даних" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "CD-файл з Turbomole має помилковий формат : %1" #~ msgid "Portable Network Graphics" #~ msgstr "PNG (Portable Network Graphics)" #~ msgid "jpeg" #~ msgstr "JPEG" #~ msgid "Tagged Image File Format" #~ msgstr "Формат файла зображення з мітками (TIFF)" #~ msgid "Windows Bitmap" #~ msgstr "Растрове зображення Windows (BMP)" #~ msgid "Portable Pixmap" #~ msgstr "Портативне растрове зображення (PPM)" #~ msgid "X11 Bitmap" #~ msgstr "Растровий X11 (XBM)" #~ msgid "X11 Pixmap" #~ msgstr "Карта кольорів X11 (XPM)" #~ msgid "Save Spectra Image" #~ msgstr "Зберегти спектр як зображення" #~ msgid "Image successfully written to %1" #~ msgstr "Зображення успішно записано до %1" #~ msgid "&Advanced <<" #~ msgstr "&Додатково <<" #~ msgid "&Advanced >>" #~ msgstr "&Додатково >>" #~ msgid "&Spectra..." #~ msgstr "&Спектри…" #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Візуалізація спектральних даних з квантохімічних обчислень" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (см2/ммоль)" #~ msgid "Vibrational Analysis" #~ msgstr "Вібраційний аналіз" #~ msgid "No vibrational displacements exist." #~ msgstr "Немає коливальних рухів." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Візуалізація режимів коливань з квантохімічних обчислень" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Впорядкування %1 коливань за частотою…" #~ msgid "Pause" #~ msgstr "Призупинити" #~ msgid "Super Cell Builder..." #~ msgstr "Побудова надкомірки…" #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "" #~ "У цьому документі містяться дані ізольованої молекули. Вам слід створити " #~ "елементарну комірку." #~ msgid "Build and display crystallographic super cells" #~ msgstr "Побудова і показ кристалографічних надкомірок" #~ msgid "Molecular Orbitals..." #~ msgstr "Молекулярні орбіталі…" #~ msgid "Orbitals" #~ msgstr "Орбіталі" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Порожній" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Ван-дер-Ваальса" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Електронна щільність" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Помилка — невизначений тип" #~ msgid "Calculating VdW Cube" #~ msgstr "Розрахунок куба Ван-дер-Ваальса" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Обчислення МО %L1" #~ msgid "VdW" #~ msgstr "Ван-дер-Ваальс" #~ msgid "Electrostatic potential surfaces are not yet supported." #~ msgstr "Підтримки поверхонь електростатичного потенціала ще не передбачено." #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Обчислення молекулярних орбіталей та інших поверхонь" #~ msgid "&Nanotube Builder..." #~ msgstr "Побудова &нанотрубок…" #~ msgid "Nanotube Builder" #~ msgstr "Побудова нанотрубок" #~ msgid "Invalid Nanotube Specification" #~ msgstr "Некоректна специфікація нанотрубки" #~ msgid "" #~ "The requested nanotube cannot be built for the following reason:\n" #~ "\n" #~ "Either n or m must be greater than 1." #~ msgstr "" #~ "Потрібну вам нанотрубку не можна побудувати з такої причини:\n" #~ "\n" #~ "n або m має бути більшим за 1." #~ msgid "Insert Nanotube" #~ msgstr "Вставте дані нанотрубки" #~ msgid "SWCNT Builder" #~ msgstr "Побудова ВНТОС" #~ msgid "Construct single wall carbon nanotubes." #~ msgstr "Побудувати вуглецеву нанотрубку з одинарною стінкою." #~ msgid "Building..." #~ msgstr "Побудова…" #~ msgid "Display point group symmetry." #~ msgstr "Групова симетрія щодо точки показу." #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "Віджет GL не було належним чином ініціалізовано для створення відеоданих" #~ msgid "GL widget has no molecule" #~ msgstr "У віджеті GL немає молекули" #~ msgid "Building video " #~ msgstr "Побудова відео " #~ msgid "Could not run mencoder." #~ msgstr "Не вдалося запустити mencoder." #~ msgid "Set Aspect Ratio" #~ msgstr "Співвідношення сторін" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Розміри поточного зображення Avogadro дорівнюють %1x%2 пікселів, отже має " #~ "співвідношення сторін %3.\n" #~ "Ви можете не змінювати цього значення, наприклад, якщо ви маєте намір " #~ "отримати зображення POV-Ray\n" #~ "з розмірами %4x1000 пікселів, або вказати інше додатне значення,\n" #~ "наприклад, 1, якщо потрібно, щоб POV-Ray створив квадратне зображення, " #~ "зокрема 1000x1000 пікселів." #~ msgid "Save VRML rendered files" #~ msgstr "Зберегти оброблені файли VRML" #~ msgid "VRML..." #~ msgstr "VRML..." #~ msgid "Connect" #~ msgstr "З'єднатися" #~ msgid "Disconnect" #~ msgstr "Роз'єднатися" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Стеження Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Стеження за рухом за допомогою пультів Wii" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "Некоректний контекст OpenGL.\n" #~ "Ймовірно, щось повністю поламано у вашому налаштуванні OpenGL (чи " #~ "можливий запуск хоч якихось програм OpenGL?) або ви натрапили на ваду у " #~ "програмі." #~ msgid "Debug Information" #~ msgstr "Діагностична інформація" #~ msgid "FPS: %L1" #~ msgstr "Частота кадрів: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Розміри вікна перегляду: %L1 x %L2" #~ msgid "ModelView row 1: %L1 %L2 %L3 %L4" #~ msgstr "Рядок 1 ModelView : %L1 %L2 %L3 %L4" #~ msgid "ModelView row 2: %L1 %L2 %L3 %L4" #~ msgstr "Рядок 2 ModelView : %L1 %L2 %L3 %L4" #~ msgid "ModelView row 3: %L1 %L2 %L3 %L4" #~ msgstr "Рядок 3 ModelView : %L1 %L2 %L3 %L4" #~ msgid "ModelView row 4: %L1 %L2 %L3 %L4" #~ msgstr "Рядок 4 ModelView : %L1 %L2 %L3 %L4" #~ msgid "Atoms: %L1" #~ msgstr "Атоми: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: номер %1 перевищує межі нумерації." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Читання файлів типу «%1» не підтримується." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Читання типу файлів «%1» не підтримується." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Спроба читання молекули з номером %1 з файла «%2» зазнала невдачі." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "replaceMolecule: номер %1 перевищує межі нумерації." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Запис файлів типу «%1» не підтримується." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Запис типу файлів «%1» не підтримується." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Не вдалося відкрити файл «%1» для читання." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Спроба заміни молекули з номером %1 у файлі «%2» зазнала невдачі." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Не вдалося відкрити файл %1 для читання." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Не вдалося відкрити файл %1 для запису." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "" #~ "Спроба зберегти файл молекули завершилася невдало: не вдалося " #~ "перейменувати початковий файл." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "" #~ "Спроба зберегти файл молекули завершилася невдало: не вдалося " #~ "перейменувати новий файл." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "" #~ "Спроба зберегти файл молекули завершилася невдало: не вдалося вилучити " #~ "старий файл." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Спроба запису молекули до файла «%1» завершилася невдало. Помилка у " #~ "функції OpenBabel." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Не вдалося відкрити файл %1 для запису." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Спроба запису конформерів до файла «%1» завершилася невдало." #~ msgid "Molecule %1" #~ msgstr "Молекула %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Невідомий рушій Python" #~ msgid "N/A" #~ msgstr "н/д" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: перевірка " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " — у скрипті не визначено клас «Engine»" #~ msgid " - no module" #~ msgstr " — не вказано модуля" #~ msgid "Unknown Python Extension" #~ msgstr "Невідомий додаток Python" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: перевірка " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " — у скрипті не визначено клас «Extension»" #~ msgid "Unknown Python Tool" #~ msgstr "Невідомий інструмент Python" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: перевірка " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " — у скрипті не визначено клас «Tool»" #~ msgid "Conformer %1" #~ msgstr "Конформер %1" #~ msgid "Tools" #~ msgstr "Інструменти" #~ msgid "Align:" #~ msgstr "Вирівнювати:" #~ msgid "Everything" #~ msgstr "Все" #~ msgid "" #~ "Auto Optimization Tool\n" #~ "\n" #~ "Navigation Functions when clicking in empty space.\n" #~ "Left Mouse: \tRotate Space\n" #~ "Middle Mouse: Zoom Space\n" #~ "Right Mouse: \tMove Space\n" #~ "Double-Click: \t Reset View\n" #~ "\n" #~ "When running:\n" #~ "Left Mouse: \tClick and drag atoms to move them." #~ msgstr "" #~ "Інструмент автоматичної оптимізації\n" #~ "\n" #~ "Навігаційні функції, пов’язані з клацанням на порожньому місці.\n" #~ "Ліва кнопка: \tобертати систему\n" #~ "Середня кнопка: змінити масштаб системи\n" #~ "Права кнопка: \tпересунути систему\n" #~ "\n" #~ "Додаткові функції у процесі\n" #~ "Ліва кнопка: \tнаведіть на атом і затисніть, щоб його пересунути." #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "AutoOpt: Не вдалося встановити поле сил…" #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "К-ть обмежень: %1" #~ msgid "Steps per Update:" #~ msgstr "Кроків на оновлення:" #~ msgid "Algorithm:" #~ msgstr "Алгоритм:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Молекулярна динаміка (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Молекулярна динаміка (900K)" #~ msgid "Start" #~ msgstr "Почати" #~ msgid "Fixed atoms are movable" #~ msgstr "Можна рухати зафіксовані атоми" #~ msgid "Ignored atoms are movable" #~ msgstr "Можна рухати ігноровані атоми" #~ msgid "AutoOpt Molecule" #~ msgstr "Автооптимізація молекули" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Автоматична оптимізація геометричних параметрів молекул" #~ msgid "AutoOptimization Settings" #~ msgstr "Параметри автоматичної оптимізації" #~ msgid "Auto Rotation Tool" #~ msgstr "Інструмент автоматичного обертання" #~ msgid "x rotation:" #~ msgstr "x-обертання:" #~ msgid "x rotation" #~ msgstr "x-обертання" #~ msgid "y rotation:" #~ msgstr "y-обертання:" #~ msgid "y rotation" #~ msgstr "y-обертання" #~ msgid "z rotation:" #~ msgstr "z-обертання:" #~ msgid "z rotation" #~ msgstr "z-обертання" #~ msgid "Automatic rotation of molecules" #~ msgstr "Автоматичне обертання молекул" #~ msgid "AutoRotate Settings" #~ msgstr "Параметри автоматичного обертання" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Довжина зв’язку: %L1" #~ msgid " Show Angles" #~ msgstr " Показувати кути" #~ msgid "Snap-to Threshold: " #~ msgstr "Поріг прилипання: " #~ msgid "Bond Centric Manipulate" #~ msgstr "Керування на основі зв’язків" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Керування довжинами зв’язків, кутів та кута обертання" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Параметри пересування на основі зв’язків" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Відстань (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Відстань (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Двограний кут: %1°" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Відстані:" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Вимірювання довжин зв’язків, кутів та двогранних кутів" #~ msgid "Draw Bond" #~ msgstr "Намалювати зв’язок" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Малювання та редагування атомів та зв’язків" #~ msgid "Draw Settings" #~ msgstr "Параметри малювання" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Пересування, обертання та коригування позицій атомів та фрагментів" #~ msgid "Manipulate Settings" #~ msgstr "Параметри пересування" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "" #~ "Пересування, обертання та зміна масштабу у поточному вікні перегляду" #~ msgid "Navigate Settings" #~ msgstr "Параметри навігації" #~ msgid "Selection Mode:" #~ msgstr "Режим позначення:" #~ msgid "Atom/Bond" #~ msgstr "Атом/Зв’язок" #~ msgid "Residue" #~ msgstr "Залишок" #~ msgid "Add Center of Atoms" #~ msgstr "Додати центр атомів" #~ msgid "Change color of the atom" #~ msgstr "Змінити колір атома" #~ msgid "Change label of the atom" #~ msgstr "Змінити мітку атома" #~ msgid "Change label of the bond" #~ msgstr "Змінити мітку зв’язку" #~ msgid "Change radius of the atom" #~ msgstr "Змінити радіус атома" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Новий радіус, у %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Позначення атомів, залишків та молекул" #~ msgid "Symbol" #~ msgstr "Символ" #~ msgid "Bond Length" #~ msgstr "Довжина зв’язку" #~ msgid "Dihedral Angle" #~ msgstr "Двограний кут" #~ msgid "Z Matrix Editor..." #~ msgstr "Редактор Z-матриці…" #~ msgid "Z-Matrix" #~ msgstr "Z-матриця" #~ msgid "Create/edit a z-matrix" #~ msgstr "Створення/Редагування Z-матриці" #~ msgid "Z-Matrix Settings" #~ msgstr "Параметри Z-матриці" #~ msgid "Color residues by:" #~ msgstr "Розфарбувати залишки за:" #~ msgid "Amino Colors" #~ msgstr "кольорами амінів" #~ msgid "Hydrophobicity" #~ msgstr "гідрофобністю" #~ msgid "Axes:" #~ msgstr "Осі:" #~ msgid "Cartesian Axes" #~ msgstr "декартові вісі" #~ msgid "Orthogonal Axes" #~ msgstr "ортогональні вісі" #~ msgid "Axis 1:" #~ msgstr "Вісь 1:" #~ msgid "Axis 2:" #~ msgstr "Вісь 2:" #~ msgid "Axis 3:" #~ msgstr "Вісь 3:" #~ msgid "Origin:" #~ msgstr "Початок:" #~ msgid "Norm" #~ msgstr "Норма" #~ msgid "Preserve vector norms" #~ msgstr "Зберігати норми векторів" #~ msgid "Atom Radius:" #~ msgstr "Радіус атома:" #~ msgid "Bond Radius:" #~ msgstr "Радіус зв’язку:" #~ msgid "Shape" #~ msgstr "Форма" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Цикл" #~ msgid "Dipole:" #~ msgstr "Диполь:" #~ msgid "Custom Vector" #~ msgstr "Нетиповий вектор" #~ msgid "Custom:" #~ msgstr "Нетипова:" #~ msgid "Cut-off radius:" #~ msgstr "Радіус обрізання:" #~ msgid "Cut-off angle:" #~ msgstr "Кут обрізання:" #~ msgid "Rendering Engine:" #~ msgstr "Рушій обробки:" #~ msgid "TextRenderer" #~ msgstr "TextRenderer" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Текст:" #~ msgid "Symbol & Number in Group" #~ msgstr "Символ і номер у групі" #~ msgid "Symbol & Atom number" #~ msgstr "Символ і номер атома" #~ msgid "Partial charge" #~ msgstr "Частковий заряд" #~ msgid "Residue number" #~ msgstr "Номер залишку" #~ msgid "Custom data" #~ msgstr "Нетипові дані" #~ msgid "Change Font" #~ msgstr "Змінити шрифт" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Зсув мітки:" #~ msgid "Bond length" #~ msgstr "Довжина зв’язку" #~ msgid "Bond number" #~ msgstr "Номер зв’язку" #~ msgid "Bond order" #~ msgstr "Порядок зв’язку" #~ msgid "Lines" #~ msgstr "Лінії" #~ msgid "Radius:" #~ msgstr "Радіус:" #~ msgid "Include Nitrogens" #~ msgstr "Включити атоми азоту" #~ msgid "VdW Opacity:" #~ msgstr "Щільність поверхонь Ван-дер-Ваальса:" #~ msgid "Orbital:" #~ msgstr "Орбіталь:" #~ msgid "Render:" #~ msgstr "Відтворювати:" #~ msgid "Fill" #~ msgstr "Заповнення" #~ msgid "Points" #~ msgstr "Точки" #~ msgid "Draw Box:" #~ msgstr "Малювати рамку:" #~ msgid "Style:" #~ msgstr "Стиль:" #~ msgid "Mapped Colors" #~ msgstr "Відображені кольори" #~ msgid "Positive" #~ msgstr "Додатна" #~ msgid "Negative" #~ msgstr "Від’ємна" #~ msgid "Show Atoms" #~ msgstr "Показувати атоми" #~ msgid "Animate Trajectory" #~ msgstr "Анімувати траєкторію" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Цикл" #~ msgid "Save as .avi..." #~ msgstr "Зберегти як .avi…" #~ msgid "Angstroms" #~ msgstr "Ангстреми" #~ msgid "Bohrs" #~ msgstr "Бори" #~ msgid "Fractional" #~ msgstr "Дроби" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, лише координати" #~ msgid "GAMESS Input #2" #~ msgstr "Вхідні дані GAMESS (2 варіант)" #~ msgid "Priroda Input" #~ msgstr "Вхідні дані Priroda" #~ msgid "Apply Changes" #~ msgstr "Застосувати зміни" #~ msgid "Cut All" #~ msgstr "Вирізати все" #~ msgid "Paste to the End" #~ msgstr "Вставити в кінець" #~ msgid "" #~ "\n" #~ "\n" #~ "

      Paste or edit atomic " #~ "coordinates here. You may paste almost any fragment of text, containing " #~ "coordinates

      " #~ msgstr "" #~ "\n" #~ "\n" #~ "

      Тут можна вставити або " #~ "змінити координати атомів. Ви можете вставити будь-який фрагмент тексту, " #~ "що містить координати.

      " #~ msgid "(None)" #~ msgstr "(Немає)" #~ msgid "Sort by " #~ msgstr "Впорядкувати за " #~ msgid "Number of atoms:" #~ msgstr "Кількість атомів:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Кількість обертових зв’язків:" #~ msgid "Add Constraints" #~ msgstr "Додавання обмежень" #~ msgid "Ignore Atom" #~ msgstr "Ігнорування атома" #~ msgid "Fix Atom" #~ msgstr "Фіксація атома" #~ msgid "Fix Atom X" #~ msgstr "Зафіксувати координату X атома" #~ msgid "Fix Atom Y" #~ msgstr "Зафіксувати координату Y атома" #~ msgid "Fix Atom Z" #~ msgstr "Зафіксувати координату Z атома" #~ msgid "Torsion angle" #~ msgstr "Кут перекручування" #~ msgid "Add" #~ msgstr "Додати" #~ msgid "Save" #~ msgstr "Зберегти" #~ msgid "Load" #~ msgstr "Завантажити" #~ msgid "Atomic &identites:" #~ msgstr "Атомні &профілі:" #~ msgid "Surface Slab Builder" #~ msgstr "Інструмент побудови поверхневих плит" #~ msgid "Plane:" #~ msgstr "Площина:" #~ msgid "&Miller Indices:" #~ msgstr "&Індекси Міллера:" #~ msgid "Warning: Use non-zero Miller Indices" #~ msgstr "Попередження: використовуйте ненульові індекси Міллера" #~ msgid "Width (x)" #~ msgstr "Ширина (x)" #~ msgid "Width (y)" #~ msgstr "Ширина (y)" #~ msgid "Height (z)" #~ msgstr "Висота (z)" #~ msgid "length" #~ msgstr "довжина" #~ msgid "cell repeats" #~ msgstr "елементарних комірок" #~ msgid "&Translate " #~ msgstr "&Пересунути " #~ msgid "by arbitrary vector" #~ msgstr "на довільний вектор" #~ msgid "selected atom to unit cell center" #~ msgstr "позначений атом до центру елементарної комірки" #~ msgid "Translation vector:" #~ msgstr "Вектор перенесення:" #~ msgid "&X:" #~ msgstr "&X:" #~ msgid "&Y:" #~ msgstr "&Y:" #~ msgid "&Z:" #~ msgstr "&Z:" #~ msgid "&Vector units:" #~ msgstr "&Векторні одиниці:" #~ msgid "Cartesian" #~ msgstr "Декартові" #~ msgid "&Translate" #~ msgstr "&Перенести" #~ msgid "Crystal View Options" #~ msgstr "Параметри перегляду кристалів" #~ msgid "Unit Cell Repeats:" #~ msgstr "К-ть повторів елементарної комірки:" #~ msgid "Draw Unit Cell(s)?" #~ msgstr "Малювати елементарні комірки?" #~ msgid "One" #~ msgstr "Одна" #~ msgid "All" #~ msgstr "Всі" #~ msgid "Color..." #~ msgstr "Колір..." #~ msgid "View Along:" #~ msgstr "Напрям перегляду:" #~ msgid "Default View" #~ msgstr "Типовий перегляд" #~ msgid "h: " #~ msgstr "h: " #~ msgid "k: " #~ msgstr "k: " #~ msgid "i: " #~ msgstr "i: " #~ msgid "l: " #~ msgstr "l: " #~ msgid "Miller Indices" #~ msgstr "Індекси Міллера" #~ msgid "File Import..." #~ msgstr "Імпорт файла…" #~ msgid "Attempt to perceive bonds?" #~ msgstr "Намагатися виявити зв’язки?" #~ msgid "Setup Force Field" #~ msgstr "Налаштування поля сил" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Кількість кроків" #~ msgid "Algorithm" #~ msgstr "Алгоритм" #~ msgid "Alanine" #~ msgstr "Аланін" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Аргінін" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Аспарагін" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "Аспарагінова кислота" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Цистеїн" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "Глутамінова кислота" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Глутамін" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Гліцин" #~ msgid "Gly" #~ msgstr "Gly" #~ msgid "Histidine" #~ msgstr "Гістидін" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "Ізолейцин" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Valine" #~ msgstr "Валін" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyrosine" #~ msgstr "Тирозін" #~ msgid "Tyr" #~ msgstr "Tyr" #~ msgid "Tryptophan" #~ msgstr "Триптофан" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "Треонін" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "Серин" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Пролін" #~ msgid "Phenylalanine" #~ msgstr "Фенілаланін" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "Метіонін" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Лізин" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "Лейцин" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "Послідовність (від N до C):" #~ msgid "Stereochemistry:" #~ msgstr "Стереохімія:" #~ msgid "L" #~ msgstr "L" #~ msgid "N Terminus:" #~ msgstr "N-кінець:" #~ msgid "C Terminus:" #~ msgstr "C-кінець:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Structure:" #~ msgstr "Структура:" #~ msgid "Straight Chain" #~ msgstr "Розгорнутий ланцюг" #~ msgid "Alpha Helix" #~ msgstr "α-спіраль" #~ msgid "Beta Sheet" #~ msgstr "Бета-лист" #~ msgid "Pi Helix" #~ msgstr "π-спіраль" #~ msgid "Phi:" #~ msgstr "φ:" #~ msgid "Psi:" #~ msgstr "ψ:" #~ msgid "Chain Number:" #~ msgstr "Номер ланцюга:" #~ msgid "The chain number for the new peptide" #~ msgstr "Номер ланцюга нового пептиду" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "Кількість залишків:" #~ msgid "Energy (kJ/mol):" #~ msgstr "Енергія (кДж/моль):" #~ msgid "Dipole Moment (D):" #~ msgstr "Дипольний момент (D):" #~ msgid "select Fragment" #~ msgstr "вибрати фрагмент" #~ msgid "Basic" #~ msgstr "Основні" #~ msgid "Comment" #~ msgstr "Коментар" #~ msgid "Frequency" #~ msgstr "Частота" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Format" #~ msgstr "Формат" #~ msgid "z-Matrix" #~ msgstr "z-матриця" #~ msgid "z-Matrix compact" #~ msgstr "Компакт z-матриці" #~ msgid "Advanced" #~ msgstr "Додатково" #~ msgid "Basis Set" #~ msgstr "Базисний набір" #~ msgid "SCF" #~ msgstr "SCF" #~ msgid "RijCosX" #~ msgstr "RijCosX" #~ msgid "Aux. Basis Set" #~ msgstr "Доп. базисний набір" #~ msgid "Aux. ECP" #~ msgstr "Доп. ECP" #~ msgid "Relativistic" #~ msgstr "Релятивістський" #~ msgid "ZORA" #~ msgstr "ZORA" #~ msgid "IORA" #~ msgstr "IORA" #~ msgid "DKH" #~ msgstr "DKH" #~ msgid "Order" #~ msgstr "Порядок" #~ msgid "Corr. Aux. Basis Set" #~ msgstr "Випр. доп. базисний набір" #~ msgid "Corr. ECP" #~ msgstr "Випр. ECP" #~ msgid "Run type" #~ msgstr "Тип запуску" #~ msgid "MOs" #~ msgstr "МО" #~ msgid "Basis Sets" #~ msgstr "Базисні набори" #~ msgid "Printlevel" #~ msgstr "Рівень виведення" #~ msgid "Small" #~ msgstr "Малий" #~ msgid "Large" #~ msgstr "Великий" #~ msgid "Damping" #~ msgstr "Демпфування" #~ msgid "Factor" #~ msgstr "Коефіцієнт" #~ msgid "" #~ "

      select only if no defaults are wanted

      " #~ msgstr "" #~ "

      Позначайте, лише якщо типове є небажаним.

      " #~ msgid "Accuracy" #~ msgstr "Точність" #~ msgid "Tight SCF" #~ msgstr "Щільне SCF" #~ msgid "Very Tight SCF" #~ msgstr "Дуже щільне SCF" #~ msgid "Extreme SCF" #~ msgstr "Надзвичайне SCF" #~ msgid "KDIIS" #~ msgstr "KDIIS" #~ msgid "Levelshift " #~ msgstr "Зсув рівня " #~ msgid "Levelshift" #~ msgstr "Зсув рівня" #~ msgid "2nd Order" #~ msgstr "2-ий порядок" #~ msgid "SOSCF" #~ msgstr "SOSCF" #~ msgid "NRSCF" #~ msgstr "NRSCF" #~ msgid "AHSCF" #~ msgstr "AHSCF" #~ msgid "max. SCF iterations" #~ msgstr "макс. к-ть ітерацій SCF" #~ msgid "SCF Type" #~ msgstr "Тип SCF" #~ msgid "restricted" #~ msgstr "обмежений" #~ msgid "unrestricted" #~ msgstr "необмежений" #~ msgid "restricted open-shell" #~ msgstr "обмежена відкрита оболонка" #~ msgid "SFitting" #~ msgstr "S-апроксимація" #~ msgid "GridX" #~ msgstr "GridX" #~ msgid "FinalGridX" #~ msgstr "FinalGridX" #~ msgid "Grid" #~ msgstr "Сітка" #~ msgid "FinalGrid" #~ msgstr "Остаточна сітка" #~ msgid "POV-Ray Export" #~ msgstr "Експорт до POV-Ray" #~ msgid "Select..." #~ msgstr "Вибрати…" #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Використовувати згладжування всього зображення" #~ msgid "Antialias" #~ msgstr "Згладжування" #~ msgid "Set the background color to be transparent" #~ msgstr "Встановити прозорий колір тла" #~ msgid "Alpha transparency" #~ msgstr "Альфа-прозорість" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "" #~ "Обробити показ молекули безпосередньо за допомогою командного рядка POV-" #~ "Ray" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "Зберегти файл кодів POV-Ray після завершення обробки і показу" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "Зберегти коди POV-Ray після показу" #~ msgid "Path:" #~ msgstr "Шлях:" #~ msgid "Abinit Input" #~ msgstr "Вхідні дані Abinit" #~ msgid "10.0" #~ msgstr "10,0" #~ msgid "Cartesian (Angstrom)" #~ msgstr "Декартові (Angstrom)" #~ msgid "Reduced" #~ msgstr "Спрощений" #~ msgid "Plane Wave cutoff (Ha):" #~ msgstr "Обрізання плоскої хвилі (Га):" #~ msgid "5.e-5" #~ msgstr "5.e-5" #~ msgid "Tolerance on forces(Ha/bohr):" #~ msgstr "Допуск за силами (Га/бор):" #~ msgid "Max lattice expansion:" #~ msgstr "Макс. розширення ґратки:" #~ msgid "1.05" #~ msgstr "1.05" #~ msgid "k-point shift:" #~ msgstr "зсув k-точок:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Number of bands:" #~ msgstr "Кількість смужок:" #~ msgid "# k-point shifts:" #~ msgstr "# зсуви k-точок:" #~ msgid "Double grid PW cutoff (Ha):" #~ msgstr "Обрізання ПХ подвійною ґраткою (Га):" #~ msgid "20.0" #~ msgstr "20.0" #~ msgid "Occupation scheme:" #~ msgstr "Схема заповнення:" #~ msgid "SCF tolerance type:" #~ msgstr "Тип допуску SCF:" #~ msgid "Wave Function norm" #~ msgstr "Норма хвильової функції" #~ msgid "Total Potential" #~ msgstr "Загальний потенціал" #~ msgid "Relative Force" #~ msgstr "Відносна сила" #~ msgid "1 - semiconducting" #~ msgstr "1 — напівпровідна" #~ msgid "3 - Fermi Dirac" #~ msgstr "3 — Фермі-Дірака" #~ msgid "4 - Cold Smearing (Marzari)" #~ msgstr "4 — холодне розмивання (Марцарі)" #~ msgid "7 - Gaussian smearing" #~ msgstr "7 — гаусове розмивання" #~ msgid "Smearing width (Ha):" #~ msgstr "Ширина розмивання (Га):" #~ msgid "0.01" #~ msgstr "0.01" #~ msgid "0 - no moving ions " #~ msgstr "0 — не пересувати іони " #~ msgid "1 - viscous damping" #~ msgstr "1 — в’язка амортизація" #~ msgid "2 - BFGS " #~ msgstr "2 — BFGS " #~ msgid "3 - BFGS with energy" #~ msgstr "3 — BFGS з енергією" #~ msgid "# Geometrical time steps:" #~ msgstr "# Геометричні кроки за часом:" #~ msgid "1.e-10" #~ msgstr "1.e-10" #~ msgid "Kinetic Energy smoothing (Ha):" #~ msgstr "Згладжування кінетичної енергії (Га):" #~ msgid "0.5" #~ msgstr "0.5" #~ msgid "Compute..." #~ msgstr "Обчислити…" #~ msgid "Dalton Input" #~ msgstr "Вхідні дані Dalton" #~ msgid "Basics" #~ msgstr "Основи" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "" #~ "Додає введений вами текст до рядка заголовка файла вхідних даних,\n" #~ "щоб вам легше було визначити призначення файла." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "Basis Set:" #~ msgstr "Базовий набір:" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Попла" #~ msgid "Jensen's polarization consistent" #~ msgstr "узгоджена поляризація Єнсена" #~ msgid "Dunning's correlation consistent" #~ msgstr "узгоджена кореляція Даннінга" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Функції кореляції внутрішніх електронів" #~ msgid "Diffuse functions" #~ msgstr "Функції розсіювання" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Безпосередній" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "Запуск у паралельному режимі, якщо можливо. Можна використовувати для " #~ "обчислень\n" #~ "на основі хвильових функцій SCF та дискретного перетворення Фурьє. У " #~ "поточному\n" #~ "випуску Dalton передбачено підтримку лише MPI за умови належного збирання " #~ "та\n" #~ "встановлення. Кількість вузлів встановлюється за допомогою параметра «-N " #~ "#», що\n" #~ "передається скрипту «dalton»." #~ msgid "Parallel" #~ msgstr "Паралельний" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Специфікація сітки" #~ msgid "Partitioning Scheme:" #~ msgstr "Схема поділу:" #~ msgid "Becke" #~ msgstr "Бекке" #~ msgid "Becke (original)" #~ msgstr "Бекке (початкова)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Якість сітки:" #~ msgid "coarse" #~ msgstr "груба" #~ msgid "normal" #~ msgstr "звичайна" #~ msgid "fine" #~ msgstr "дрібна" #~ msgid "ultrafine" #~ msgstr "наддрібна" #~ msgid "Radial Scheme:" #~ msgstr "Радіальна схема:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "Показати всі функціонали" #~ msgid "Property:" #~ msgstr "Властивість:" #~ msgid "Polarizability" #~ msgstr "Можливість поляризації" #~ msgid "Frequency Dependent" #~ msgstr "Залежна від частоти" #~ msgid "No. excitations:" #~ msgstr "Кількість збуджень:" #~ msgid "EFP Matches" #~ msgstr "ЕПФ-відповідності" #~ msgid "Group Label:" #~ msgstr "Мітка групи:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "&Додаткове налаштування" #~ msgid "Hessian" #~ msgstr "Гессіан" #~ msgid "Stat Point" #~ msgstr "Стаціонарна точка" #~ msgid "System" #~ msgstr "Система" #~ msgid "MO Guess" #~ msgstr "Початкове наближення МО" #~ msgid "Misc" #~ msgstr "Інше" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "Кількість поляризаційних функцій D на важких атомах:" #~ msgid "Read" #~ msgstr "Прочитати" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Хея-Вадта" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Дифузна S-функція на важких атомах" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Дифузна L-функція на важких атомах" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Двоекспоненційний валентний" #~ msgid "Dunning/Hay DZ" #~ msgstr "Даннінга/Хея DZ" #~ msgid "Binning/Curtiss DZ" #~ msgstr "Біннінґ/Кертіс, DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Триекспоненційний валентний" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA-валентний" #~ msgid "Hay/Wadt Valence" #~ msgstr "Валентний Хея/Вадта" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Тип ЕЯП:" #~ msgid "Default" #~ msgstr "Типовий" #~ msgid "Pople" #~ msgstr "Попла" #~ msgid "Pople N311" #~ msgstr "Попла N311" #~ msgid "Huzinaga" #~ msgstr "Хузінаги" #~ msgid "Hondo7" #~ msgstr "Хондо7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "Поляризаційних F-функцій на важких атомах" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "Поляризаційних функцій на легких атомах" #~ msgid "Polar:" #~ msgstr "Полярний:" #~ msgid "Max SCF Iterations:" #~ msgstr "Максимум ітерацій SCF:" #~ msgid "Gradient" #~ msgstr "Градієнт" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "Сідлова точка" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Екстремальний градієнт" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Морокума" #~ msgid "Radiative Transition mom." #~ msgstr "Момент випромінювання переходу" #~ msgid "Spin Orbit" #~ msgstr "Спін-орбітальна взаємодія" #~ msgid "Finite Electric Field" #~ msgstr "Скінченне електричне поле" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Загальна оптимізація" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO-оптимізація" #~ msgid "Raman Intensities" #~ msgstr "Раманівські інтенсивності" #~ msgid "Make EFP" #~ msgstr "Створити ЕПФ" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Немає (CI)" #~ msgid "Foster-Boys" #~ msgstr "Фостера-Бойса" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Едмістрона-Рюденберга" #~ msgid "Pipek-Mezey" #~ msgstr "Піпека-Мезея" #~ msgid "SCF Type:" #~ msgstr "Тип SCF:" #~ msgid "Localization Method:" #~ msgstr "Метод локалізації:" #~ msgid "Exec Type:" #~ msgstr "Тип виконання:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Визначник Ames (ALDET)" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Обмежений зайнятістю мультиактивний простір (ORMAS)" #~ msgid "CI Singles" #~ msgstr "CI з однократним збудженням" #~ msgid "Full Second Order CI" #~ msgstr "Повне КВ другого порядку (FSOCI)" #~ msgid "General CI" #~ msgstr "Загальне CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: лінеаризоване CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC з двократними збудженнями" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC з одно- і двократними збудженнями" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Звичайний запуск" #~ msgid "Check" #~ msgstr "Перевірка" #~ msgid "Debug" #~ msgstr "Зневаджування" #~ msgid "Molecule Charge:" #~ msgstr "Заряд молекули:" #~ msgid "Run Type:" #~ msgstr "Тип обчислень:" #~ msgid "Use MP2" #~ msgstr "Використовувати MP2" #~ msgid "Use DFT" #~ msgstr "Використовувати ДПФ" #~ msgid "# of Z-Matrix Variables" #~ msgstr "кількість змінних Z-матриці" #~ msgid "Ǻngstrom" #~ msgstr "Ангстрем" #~ msgid "Order of Principal Axis:" #~ msgstr "Порядок головної вісі:" #~ msgid "Coordinate Type:" #~ msgstr "Тип координат:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Унікальні декартові координати" #~ msgid "Hilderbrant internals" #~ msgstr "Внутрішні координати Гільдербранта" #~ msgid "MOPAC Z-Matrix" #~ msgstr "Z-матриця MOPAC" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Використовувати симетрію" #~ msgid "Point Group:" #~ msgstr "Точкова група:" #~ msgid "Minutes" #~ msgstr "хвилини" #~ msgid "Hours" #~ msgstr "години" #~ msgid "Days" #~ msgstr "дні" #~ msgid "Weeks" #~ msgstr "тижні" #~ msgid "Years" #~ msgstr "роки" #~ msgid "Millenia" #~ msgstr "тисячоліття" #~ msgid "MegaWords" #~ msgstr "мегаслів" #~ msgid "MegaBytes" #~ msgstr "мегабайтів" #~ msgid "GigaWords" #~ msgstr "гігаслів" #~ msgid "GigaBytes" #~ msgstr "гігабайтів" #~ msgid "Force Parallel Methods" #~ msgstr "Використовувати паралельні групи" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Створити core-файл у разі переривання" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Пам'ять:" #~ msgid "Diagonalization Method:" #~ msgstr "Метод діагоналізації:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Тип балансування при паралельному виконанні" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Цикл" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Наступне значення" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Використовувати зовнішнє представлення даних для повідомлень" #~ msgid "Initial Guess:" #~ msgstr "Початкове наближення:" #~ msgid "Hückel" #~ msgstr "Хюккель" #~ msgid "HCore" #~ msgstr "Голі ядра" #~ msgid "MO Read ($VEC)" #~ msgstr "Прочитані МО ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "Збережені МО (DICTNRY)" #~ msgid "Skip" #~ msgstr "Пропустити" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Обертати α- і β-орбіталі" #~ msgid "Print the Initial Guess" #~ msgstr "Виводити початкове наближення" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Інтерфейс GAMESS до інших програм" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Використовувати вказаний режим перевірки" #~ msgid "Hondo 8.2" #~ msgstr "Хондо 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (версія UK)" #~ msgid "Gaussian 9x" #~ msgstr "Gaussian 9x" #~ msgid "Solvate with Water" #~ msgstr "Сольватувати водою" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Створення природних орбіталей УВЧ" #~ msgid "Direct SCF" #~ msgstr "Пряме SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Обчислити лише зміни фокіана (FDIFF)" #~ msgid "Slater exchange" #~ msgstr "Слейтера (обмінний)" #~ msgid "Becke 1988 exchange" #~ msgstr "Бекке 1988 (обмінний)" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Воско-Вілк-Нусе (VWN5) (кореляційний)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Лі-Янг-Парр (кореляційний)" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Слейтера (обмінний) + VWN (кореляційний)" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: Бекке (обмінний) + VWN5 (кореляційний)" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: Бекке (обмінний) + LYP (кореляційний)" #~ msgid "Gill 1996 exchange" #~ msgstr "Гілл 1996 (обмінний)" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Педрю-Бурке-Ернзергоф (PBE) (обмінний)" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: однопараметричний прогресивний (кореляційний)" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: Слейтера + Лі-Янг-Парр (LYP) (кореляційний)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: Слейтера + однопараметричний (кореляційний)" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: Бекке (обмінний) + однопараметричний (кореляційний)" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: Гілл (обмінний) + VWN5 (кореляційний)" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: Гілл (обмінний) + LYP (кореляційний)" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE (обмінний) + VWN6 (кореляційний)" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE (обмінний) + LYP (кореляційний)" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE (обмінний) + однопараметричний (кореляційний)" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF і Бекке (обмінний) + LYP (кореляційний)" #~ msgid "Grid-Free" #~ msgstr "Без сітки" #~ msgid "DFT Functional:" #~ msgstr "Функціонал ДПФ:" #~ msgid "AO Integral Storage" #~ msgstr "Зберігання інтегралів AO" #~ msgid "Duplicated on Each Node" #~ msgstr "Дублювати на кожному вузлі" #~ msgid "Distributed Across All Nodes" #~ msgstr "Розподілити за всіма вузлами" #~ msgid "words" #~ msgstr "слів" #~ msgid "Compute MP2 Properties" #~ msgstr "Обчислити властивості для MP2" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Межа зберігання інтегралів:" #~ msgid "Use Localized Orbitals" #~ msgstr "Використовувати локалізовані орбіталі" #~ msgid "# of Core Electrons:" #~ msgstr "Кількість внутрішніх електронів:" #~ msgid "Transformation Method" #~ msgstr "Метод перетворення" #~ msgid "Two Phase Bin Sort" #~ msgstr "Двофазове бінарне впорядкування" #~ msgid "Segmented Transformation" #~ msgstr "Сегментоване перетворення" #~ msgid "Numeric" #~ msgstr "Числовий" #~ msgid "Double Differenced Hessian" #~ msgstr "З подвійним чисельним диференціюванням" #~ msgid "Print Internal Force Constants" #~ msgstr "Вивести внутрішні силові сталі" #~ msgid "Displacement Size:" #~ msgstr "Розмір зсуву:" #~ msgid "Purify Hessian" #~ msgstr "Проектувати гессіан" #~ msgid "Frequency Scale Factor:" #~ msgstr "Коефіцієнт масштабування частот:" #~ msgid "bohrs" #~ msgstr "бор" #~ msgid "Initial Hessian" #~ msgstr "Початковий гессіан" #~ msgid "Guess (+ define)" #~ msgstr "Наближення (+ define)" #~ msgid "Read (from $HESS)" #~ msgstr "Прочитати (з $HESS)" #~ msgid "Update Step Size" #~ msgstr "Змінювати крок" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Виводити орбіталі на кожній ітерації" #~ msgid "Stationary Point" #~ msgstr "Стаціонарна точка" #~ msgid "Initial:" #~ msgstr "Початковий:" #~ msgid "Newton-Raphson" #~ msgstr "Ньютона-Рафсона" #~ msgid "Rational Function Optimization" #~ msgstr "Раціональна оптимізація" #~ msgid "Quadratic Approximation" #~ msgstr "Квадратична апроксимація" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Шлегель (квазі-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Оптимізація з обмеженнями" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Переобчислювати гессіан кожні:" #~ msgid "Follow Mode:" #~ msgstr "Режим слідкування:" #~ msgid "GAMESS-UK Input" #~ msgstr "Вхідні дані GAMESS-UK" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "Вхідні дані GAMESS-UK, створені за допомогою Avogadro" #~ msgid "Transition State Search" #~ msgstr "Пошук перехідних станів" #~ msgid "Basis:" #~ msgstr "Базис:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Z-матриця" #~ msgid "" #~ "In direct mode, integrals are not stored on disk, but recalculated as " #~ "needed.\n" #~ "On modern systems with fast processors and slow disks, direct is often " #~ "faster." #~ msgstr "" #~ "У режимі безпосереднього показу інтеграли не зберігаються на диску, а " #~ "обчислюються у разі потреби.\n" #~ "У сучасних системах, де процесори швидкі, а доступ до дисків повільний, " #~ "безпосередній режим показу може бути швидшим." #~ msgid "Run in direct mode:" #~ msgstr "Запуск у безпосередньому режимі:" #~ msgid "Gaussian Input" #~ msgstr "Вхідні дані Gaussian" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Стандартний" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "Контрольна точка:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-матриця (компактна)" #~ msgid "MOLPRO Input" #~ msgstr "Вхідні дані MOLPRO" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Версія Molpro:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "MOPAC Input" #~ msgstr "Вхідні дані MOPAC" #~ msgid "Quartet" #~ msgstr "Квартет" #~ msgid "Quintet" #~ msgstr "Квінтет" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "Вхідні дані NWChem" #~ msgid "SAPT0" #~ msgstr "SAPT0" #~ msgid "SAPT2" #~ msgstr "SAPT2" #~ msgid "B3LYP-D" #~ msgstr "B3LYP-D" #~ msgid "B97-D" #~ msgstr "B97-D" #~ msgid "M05-2X" #~ msgstr "M05-2X" #~ msgid "jun-cc-pVDZ" #~ msgstr "jun-cc-pVDZ" #~ msgid "Q-Chem Input" #~ msgstr "Вхідні дані Q-Chem" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "TeraChem Input" #~ msgstr "Вхідні дані TeraChem" #~ msgid "B3LYP1" #~ msgstr "B3LYP1" #~ msgid "REVPBE" #~ msgstr "REVPBE" #~ msgid "Unrestricted" #~ msgstr "Без обмежень" #~ msgid "PBD" #~ msgstr "PBD" #~ msgid "no" #~ msgstr "ні" #~ msgid "yes" #~ msgstr "так" #~ msgid "D2" #~ msgstr "D2" #~ msgid "D3" #~ msgstr "D3" #~ msgid "Dispersion:" #~ msgstr "Дисперсія:" #~ msgid "Load Shaders" #~ msgstr "Завантаження шейдерів" #~ msgid "Shader Name:" #~ msgstr "Назва шейдера:" #~ msgid "Vertex Shader:" #~ msgstr "Вершинний шейдер:" #~ msgid "Fragment Shader:" #~ msgstr "Шейдер фрагментів:" #~ msgid "Assign Shader" #~ msgstr "Призначити шейдер" #~ msgid "Display Type:" #~ msgstr "Тип показу:" #~ msgid "Font:" #~ msgstr "Шрифт:" #~ msgid "Change Font..." #~ msgstr "Змінити шрифт…" #~ msgid "Foreground:" #~ msgstr "Текст:" #~ msgid "New..." #~ msgstr "Створити…" #~ msgid "Rename..." #~ msgstr "Перейменувати…" #~ msgid "&Schemes:" #~ msgstr "С&хеми:" #~ msgid "&DPI:" #~ msgstr "&Роздільність:" #~ msgid "&Width:" #~ msgstr "&Ширина:" #~ msgid "&Height" #~ msgstr "&Висота" #~ msgid "cm" #~ msgstr "см" #~ msgid "mm" #~ msgstr "мм" #~ msgid "in" #~ msgstr "дюймів" #~ msgid "px" #~ msgstr "пікселів" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Використовувати оптимізоване значення розміру шрифту, замість вказаного у " #~ "схемі (розміри точок на екрані та на зображенні можуть значно " #~ "відрізнятися!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Автокоригування роз&мірів шрифту" #~ msgid "Spectra Tab" #~ msgstr "Вкладка спектрів" #~ msgid "&Gaussian Width:" #~ msgstr "Ширина &гаусового піка:" #~ msgid "&Label peaks" #~ msgstr "&Мітки піків" #~ msgid "Rotatory Strength type:" #~ msgstr "Тип інтенсивності обертання:" #~ msgid "Energy units:" #~ msgstr "Одиниці енергії:" #~ msgid "Density units" #~ msgstr "Одиниці щільності" #~ msgid "Fermi Energy: " #~ msgstr "Енергія Фермі: " #~ msgid "States / Cell" #~ msgstr "Станів/Комірка" #~ msgid "States / Atom" #~ msgstr "Станів/Атом" #~ msgid "States / Valence electron" #~ msgstr "Станів/Валентний електрон" #~ msgid "Fermi energy at zero" #~ msgstr "Енергія Фермі при нулі" #~ msgid "Scale integrated DOS" #~ msgstr "Інтегрована до масштабу щільність станів" #~ msgid "Show integrated DOS" #~ msgstr "Показувати інтегровану щільність станів" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "Одиниці в&иміру за Y:" #~ msgid "Scaling Type:" #~ msgstr "Тип масштабування:" #~ msgid "Relative" #~ msgstr "Відносний" #~ msgid "Laser Wavenumber:" #~ msgstr "Хвильове число лазера:" #~ msgid " cm⁻¹" #~ msgstr " см⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Nucleus:" #~ msgstr "Ядро:" #~ msgid "Gaussian &Width:" #~ msgstr "Ширина г&аусового піка:" #~ msgid "Reset &Plot Axes" #~ msgstr "Відновити &вісі графіка" #~ msgid "Label Peaks:" #~ msgstr "Мітки піків:" #~ msgid "ppm" #~ msgstr "м.д." #~ msgid "Molecular Vibrations" #~ msgstr "Молекулярні коливання" #~ msgid "Filter: " #~ msgstr "Фільтр: " #~ msgid "km/mol" #~ msgstr "км/моль" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (см⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (км/моль)" #~ msgid "Activity (A^4/amu)" #~ msgstr "Активність (A⁴/а.о.м.)" #~ msgid "&Show Spectra..." #~ msgstr "&Показати спектри…" #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "коливання вищої частоти буде відтворено швидшими рухами" #~ msgid "Animation speed set by frequency" #~ msgstr "Швидкість анімації задається частотою" #~ msgid "Display force &vectors" #~ msgstr "Показувати &вектори сил" #~ msgid "&Normalize displacements" #~ msgstr "&Нормалізувати зміщення" #~ msgid "&Recalculate All" #~ msgstr "П&ереобчислити все" #~ msgid "Default &Quality:" #~ msgstr "Типова &якість:" #~ msgid "Show occupied orbitals first" #~ msgstr "Показувати спочатку заповнені орбіталі" #~ msgid "Limit orbital precalculations to " #~ msgstr "Обмежити попереднє обчислення орбіталей " #~ msgid "orbitals around HOMO/LUMO" #~ msgstr "орбіталями поряд з ВЗМО/НВМО" #~ msgid "Surface Type:" #~ msgstr "Тип поверхні:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Низька" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Середня" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Висока" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Дуже висока" #~ msgid "Isosurface cutoff value" #~ msgstr "Граничне значення поверхні межі" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "У типі показу:" #~ msgid "New Display" #~ msgstr "Нове вікно показу" #~ msgid "Advanced..." #~ msgstr "Додатково…" #~ msgid "&n:" #~ msgstr "&n:" #~ msgid "&m:" #~ msgstr "&m:" #~ msgid "&Length:" #~ msgstr "&Довжина:" #~ msgid "Uni&t:" #~ msgstr "&Одиниця:" #~ msgid "periodic units" #~ msgstr "періодичні одиниці" #~ msgid "angstrom" #~ msgstr "ангстреми" #~ msgid "bohr radii" #~ msgstr "радіуси Бора" #~ msgid "nanometers" #~ msgstr "нанометри" #~ msgid "&Cap with hydrogen" #~ msgstr "&Завершувати атомами водню" #~ msgid "" #~ "This may take a while. If only the atomic coordinates\n" #~ "are needed (say, for a quantum mechanical calculation),\n" #~ "a single-bond-only representation should suffice." #~ msgstr "" #~ "Обробка може бути тривалою. Якщо потрібні лише координати\n" #~ "атомів (скажімо, для квантово-механічних розрахунків),\n" #~ "достатньо однозв’язкового представлення." #~ msgid "Find &double bonds" #~ msgstr "Знайти &подвійні зв’язки" #~ msgid "Molecular Symmetry" #~ msgstr "Молекулярна симетрія" #~ msgid "VRML Export" #~ msgstr "Експорт до VRML" #~ msgid "Scale (mm/Å):" #~ msgstr "Шкала (мм/Å):" #~ msgid "Smallest sphere (mm): " #~ msgstr "Найменша сфера (у мм): " #~ msgid "Thinnest cylinder (mm): " #~ msgstr "Найвужчий циліндр (у мм): " #~ msgid "Calculate Size..." #~ msgstr "Обчислити розмір…" #~ msgid "Display visual cues" #~ msgstr "Показувати візуальні підказки" #~ msgid "Python Settings" #~ msgstr "Параметри Python" #~ msgid "Z Matrix Editor" #~ msgstr "Редактор Z-матриць" avogadrolibs-1.100.0/i18n/vi.po000066400000000000000000010762531474375334400161160ustar00rootroot00000000000000# Vietnamese translation for avogadro # Copyright (c) 2010 Rosetta Contributors and Canonical Ltd 2010 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2010. # Tsuki , 2022. # Minh P , 2022. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-14 07:01+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Vietnamese \n" "Language: vi\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=1; plural=0;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:02+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, fuzzy, qt-format msgid "%1 Input Generator" msgstr "%1 Phát sinh đầu vào" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "Tiếp tục" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "Đóng" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "Không rõ" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "Không có phân tử nào được cài đặt trong BackgroundFileFormat!" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "Không có tên tệp nào được đặt trong BackgroundFileFormat!" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Hi-đrô" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Hê-li" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Li-ti" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Be-ri" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Bo" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Các-bon" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Ni-tơ" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Ô-xi" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Flo" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Nê-ông" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Na-tri" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Ma-giê" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Nhôm" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Si-lic" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Phốt-pho" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Lưu huỳnh" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Clo" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "A-gôn" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Ka-li" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Can-xi" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Scan-đi" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Ti-tan" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Va-na-đi" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Crôm" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Măng-gan" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Sắt" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Cô-ban" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Ni-ken" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Đồng" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Kẽm" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Ga-li" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Giéc-ma-ni" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "A-sen" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Se-len" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Brôm" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Crip-tôn" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Ru-bi-đi" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Strông-ti" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Y-tri" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zi-cô-ni" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niô-bi" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Mô-lip-đen" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Tếch-ne-xi" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Ru-te-ni" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rô-đi" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Pa-la-đi" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Bạc" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Ca-đi-mi" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "In-đi" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Thiếc" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "An-ti-moan" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Te-lua" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "I-ốt" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xe-nôn" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Xê-di" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Ba-ri" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lan-tan" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Xê-ri" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Pra-seo-đi" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Nê-ô-đi" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Prô-mê-ti" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Sa-ma-ri" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Êu-rô-pi" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Ga-đô-lin" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Téc-bi" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Đi-prô-xi" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Hô-mi" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Éc-bi" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Thu-li" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Y-téc-bi" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lu-te-ti" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Haf-ni" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tan-tan" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Von-fram" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Rê-ni" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Ô-si-mi" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "I-ri-đi" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Bạch kim" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Vàng" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Thủy ngân" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Ta-li" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Chì" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bít-mút" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Pô-lô-ni" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "As-ta-tin" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Ra-đôn" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Fran-xi" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Ra-đi" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Ác-ti-ni" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Tho-ri" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Prô-tác-ti-ni" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "U-ra-ni" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Nép-tu-ni" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plu-tô-ni" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "A-me-ri-xi" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Quy-ri" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Béc-kơ-li" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Ca-li-fo-ni" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Anh-xtanh-ni" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Féc-mi" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Men-đe-le-vi" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nô-be-li" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Lo-ren-xi" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rơ-zơ-pho-đi" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Đúp-ni" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgi" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "Bohri" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassi" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitneri" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadti" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Rơng-ghe-ni" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Cô-péc-ni-xi" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:23 #, fuzzy msgid "Browse" msgstr "Duyệt tìm" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy msgid "All files" msgstr "Tất cả các file" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "Tựa đề" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 #, fuzzy msgid "Theory" msgstr "Lý thuyết" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Cơ sở" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "Thanh và cầu" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "Tranh vui" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "Mô-men lưỡng cực" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "Lực" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "Nhãn" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "Van der Waals" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "Khung dây" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "Chưa đặt tên" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "Bảng tuần hoàn" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "Thêm nguyên tử" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "Bỏ nguyên tử" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "Chỉnh nguyên tử hi-đrô" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "Thay đổi nguyên tố" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "Thay đổi nguyên tố" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "Thêm liên kết" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 #, fuzzy msgid "Clear Bonds" msgstr "Xóa liên kết" #: qtgui/rwmolecule.cpp:335 #, fuzzy msgid "Set Bond Orders" msgstr "Thứ tự liên kết" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "Thay đổi thứ tự liên kết" #: qtgui/rwmolecule.cpp:369 #, fuzzy msgid "Update Bonds" msgstr "Bắt các điểm nút liên kết" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 #, fuzzy #| msgid "&UV Settings" msgid "Settings" msgstr "Cài đặt" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "&Tập tin" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "&Xuất ra" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "&Dựng" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "Nguyên tố" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "Dóng hàng" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "Trục:" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "Dóng hàng các phân tử theo một trục Đề-các" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, fuzzy msgid "IO Error" msgstr "Lỗi" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "Lỗi" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "Thành công" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 #, fuzzy msgid "By Custom Color…" msgstr "Màu tự chọn…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "Nguyên tố" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 #, fuzzy #| msgid "Partial charge" msgid "By Partial Charge…" msgstr "Điện tích từng phần…" #: qtplugins/applycolors/applycolors.cpp:82 #, fuzzy msgid "By Secondary Structure" msgstr "cấu trúc thứ cấp" #: qtplugins/applycolors/applycolors.cpp:87 #, fuzzy msgid "By Amino Acid" msgstr "A-xit a-min" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 #, fuzzy #| msgid "Spectra" msgctxt "colormap" msgid "Spectral" msgstr "Phổ" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "&Xem" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "Thể hiện các liên kết bội" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "Thao tác với liên kết" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "Thao tác với liên kết" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "Liên kết" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "Trục chính" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "Ruy băng" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "Tranh vui" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "Tranh vui" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "Tiện ích mở rộng" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #, fuzzy msgid "Scripts" msgstr "Đoạn mã lệnh" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 #, fuzzy #| msgid "Other" msgid "Other…" msgstr "Khác…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 #, fuzzy msgid "Atomic &Coordinate Editor…" msgstr "Trình biên tập toạ…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "Trình biên tập toạ" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "Tên nguyên tố." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "Ký hiệu nguyên tố." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "Các chỉ số nguyên tử." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "Số hiệu nguyên tử." #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "Sao chép" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 #, fuzzy msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "Xóa" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "Năng lượng" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 #, fuzzy msgid "Molecular Dynamics" msgstr "Động lực học phân tử" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 #, fuzzy msgid "Geometry Optimization" msgstr "Tối ưu hình học" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 #, fuzzy msgid "Molecular Mechanics" msgstr "Cơ học phân tử" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 #, fuzzy msgid "Conjugate Gradients" msgstr "Gra-đien liên hợp" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 #, fuzzy msgid "Steepest descent" msgstr "Dốc xuống nhất" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "Vẽ" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "Vẽ nguyên tử" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "Khoảng cách:" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "Đơn" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "Đôi" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "Ba" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "&Nhập" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "Lấy từ PDB" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "Cấu trúc hoá học để tải xuống." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "Việc tải qua mạng đã thất bại" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "Hết hạn giờ nhập mạng hoặc một lỗi khác." #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "Không tìm được phân tử đã cho: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "Lấy từ PDB" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 #, fuzzy msgid "Optimize Geometry" msgstr "Tối ưu hình học" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 #, fuzzy msgid "Configure…" msgstr "Thiết lập…" #: qtplugins/forcefield/forcefield.cpp:108 #, fuzzy #| msgid "Import Selected Atoms" msgid "Freeze Selected Atoms" msgstr "Nhập các nguyên tử được chọn" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate:" msgid "&Calculate" msgstr "Tính toán" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "Năng lượng = %L1 %2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield optimization" msgstr "Tối ưu trường lực" #: qtplugins/forcefield/forcefield.h:50 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" msgstr "Tối ưu trường lực" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 #, fuzzy #| msgid "GAMESS" msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "Đầu vào GAMESS" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "Năng lượng điểm đơn" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "Chỉnh nguyên tử hi-đrô" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "Thêm hi-đrô" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "Bỏ hi-đrô" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "&hi-đrô" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "hi-đrô" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "&Chèn" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:159 #, fuzzy #| msgctxt "Ultra-Violet spectrum" #| msgid "UV" msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 #, fuzzy #| msgid "T" msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 msgid "InsertDNA" msgstr "" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 #, fuzzy #| msgid "Molecule" msgid "Molecule…" msgstr "Phân tử…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "Chèn đoạn" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "Chèn đoạn" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "Chèn các đoạn phân tử để tạo thành phân tử lớn" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "Màu:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "Không" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "ID duy nhất" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "Nguyên tố" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 #, fuzzy msgid "Atom Label:" msgstr "Nhãn của nguyên tử:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "Độ đục:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 #, fuzzy msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 #, fuzzy msgid "No descriptors found!" msgstr "Không có mô tả" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "Thao tác" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "Đo" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "Góc nhị diện:" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "Angle:" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "Angle:" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 msgid "unknown molecule" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 #, fuzzy msgid "&Molecular…" msgstr "Phân tử…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 #, fuzzy msgid "&Analysis" msgstr "Giải tích" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "&Thuộc tính" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "Thuộc tính phân tử" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "Thuộc tính của phân tử" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 #, fuzzy #| msgid "&Export" msgid "Export CSV" msgstr "Xuất ra CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 #, fuzzy #| msgid "Could not open file '%1' for writing." msgid "Could not open the file for writing." msgstr "Không thể mở file '%1' để ghi dữ liệu." #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 #, fuzzy #| msgid "&Export" msgid "Export…" msgstr "Xuất ra…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "Di chuyển" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "Công cụ điều hướng" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "Tên hoá học" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 #, fuzzy #| msgid "°" msgid " °" msgstr "°" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 #, fuzzy msgid "Configure Force Field…" msgstr "Thiết lập trường lực…" #: qtplugins/openbabel/openbabel.cpp:59 #, fuzzy #| msgid "Conformer Search" msgid "Conformer Search…" msgstr "Tìm đồng phân…" #: qtplugins/openbabel/openbabel.cpp:65 msgid "Perceive Bonds" msgstr "" #: qtplugins/openbabel/openbabel.cpp:77 #, fuzzy msgid "Add Hydrogens for pH…" msgstr "Thêm hi-đrô cho pH…" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "Bỏ hi-đrô" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "Tối ưu hình học (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" "Trong file quỹ đạo %1 không có sự thống nhất về số phân tử trong nguyên tử " "hiện tại" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "Thêm hi-đrô (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "Thêm hi-đrô cho pH" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH:" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "Bỏ hi-đrô (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "Dừng" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 #, fuzzy msgid "Dynamic bonding?" msgstr "Liên kết động" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "file video (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 #, fuzzy msgid "Save File" msgstr "Lưu file" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "Hóa trị" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "Màu" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "Nguyên tử" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "Kiểu" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "Bắt đầu nguyên tử" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "Kết thúc nguyên tử" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "Thứ tự liên kết" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "Chiều dài (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 #, fuzzy msgid "Secondary Structure" msgstr "cấu trúc thứ cấp" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "Nguyên tử 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "Đỉnh" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "Nguyên tử 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "Góc (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "Nguyên tử 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "Nguyên tử 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "Chuỗi xoắn" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "Chuỗi xoắn" #: qtplugins/propertytables/propertymodel.cpp:939 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "Trang" #: qtplugins/propertytables/propertymodel.cpp:941 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "Xoắn 3-10" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 #, fuzzy #| msgid "Atom Properties" msgid "Atom Properties…" msgstr "Thuộc tính của nguyên tử…" #: qtplugins/propertytables/propertytables.cpp:34 #, fuzzy #| msgid "Bond Properties" msgid "Bond Properties…" msgstr "Thuộc tính của liên kết…" #: qtplugins/propertytables/propertytables.cpp:41 #, fuzzy #| msgid "Angle Properties" msgid "Angle Properties…" msgstr "Thuộc tính góc…" #: qtplugins/propertytables/propertytables.cpp:48 #, fuzzy #| msgid "Torsion Properties" msgid "Torsion Properties…" msgstr "Thuộc tính xoắn…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "Cửa sổ hiện các thuộc tính nguyên tử, liên kết, góc và xoắn." #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "Thuộc tính" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "Thuộc tính của nguyên tử" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "Thuộc tính của liên kết" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "Thuộc tính góc" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "Thuộc tính xoắn" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "Thuộc tính đồng phân" #: qtplugins/propertytables/propertyview.cpp:59 msgid "Residue Properties" msgstr "" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "Thiết lập lại" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "&Chọn" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "Chọn" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "Lựa chọn" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgid "Spectra" msgid "Spectra" msgstr "Phổ" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "Hồng ngoại" #: qtplugins/spectra/spectradialog.cpp:440 #, fuzzy #| msgctxt "Raman spectrum" #| msgid "Raman" msgid "Raman" msgstr "Raman" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 msgid "Electronic" msgstr "" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 #, fuzzy #| msgid "&Density Of States Settings" msgid "Density of States" msgstr "Mật độ trạng thái (DOS)" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "Chọn màu nền" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "Chọn màu vật thể" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "Chọn màu phổ tính toán" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "Chọn màu phổ được nhập" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "Số sóng (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 msgid "Raman Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 msgid "NMR Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:614 msgid "Chemical Shift (ppm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:627 msgid "Electronic Spectra" msgstr "" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "Năng lượng (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "Orbital" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "Trạng thái" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO (o. phân tử cao nhất bị chiếm)" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO (o. phân tử thấp nhất bị chiếm)" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "Orbital phân tử" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "Mật độ electron" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "Orbital phân tử %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Create Surfaces" msgid "Create Surfaces…" msgstr "Tạo các mặt…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 #, fuzzy msgid "Calculating electron density" msgstr "Tính mật độ electron" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "Mặt" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, fuzzy, qt-format msgid "Group %1" msgstr "Tên nhóm %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "Rung động" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, fuzzy, qt-format #| msgid "MOPAC failed to start." msgid "Error: %1 failed to start" msgstr "Không khởi động được %1" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Biểu mẫu" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "Chèn đoạn…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "…" #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "Trường lực:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "Thành công!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial charge" msgid "Partial Charges" msgstr "Điện tích từng phần" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bo" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "Dạng thức:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "Áp dụng" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "Thiết lập lại tất cả" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "Mặc định" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "Lưu file…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "Tựa đề:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "Tính toán:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "Phương pháp:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "Lặp lại B:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "Lặp lại C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "Thứ tự liên kết:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "Đầu vào GAMESS" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "Trong:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "Với:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "Điện tích:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "tên" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) msgctxt "cytosine (C)" msgid "C" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) msgctxt "guanine (G)" msgid "G" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy #| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "D" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other" msgid "Other" msgstr "Khác" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "Đơn" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "Đôi" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) #, fuzzy #| msgid "Origin:" msgid "Origin" msgstr "Gốc" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "Tìm đồng phân" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "Phương pháp" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) #, fuzzy #| msgid "Systematic Rotor Search" msgid "Systematic rotor search" msgstr "Tìm rotor một cách tự động" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) #, fuzzy #| msgid "Random Rotor Search" msgid "Random rotor search" msgstr "Tìm rotor theo cách ngẫu nhiên" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) #, fuzzy #| msgid "Weighted Rotor Search" msgid "Weighted rotor search" msgstr "Tìm rotor theo trọng số" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Dốc xuống nhất" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "Trường lực:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "Tham khảo" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "Đơn" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "Đôi" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "Ràng buộc:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "Bước sóng:" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "cộng hóa trị" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Width:" msgid "Peak Width:" msgstr "Bề rộng:" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "&Bề ngoài" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "Hiển thị" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "" "Nhập phổ thực nghiệm dưới dạng số liệu phân cách bởi dấu Tab, sau đó trình " "bày lên bản vẽ." #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "&Nhập..." #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "Đặt màu..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "Phổ được nhập:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "&Xuất..." #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "Nền:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy #| msgid "10e-" msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "Đón&g" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "Thao tác:\n" "Nháy đúp chuột trái: Hồi phục các giới hạn trục mặc định\n" "Nháy chuột phải + di: Dịch chuyển bản vẽ\n" "Nháy chuột giữa + di: Phóng to vào vùng được chọn\n" "Lăn bánh xe chuột: Thu phóng ở vị trí con trỏ" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "&Tải dữ liệu..." #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "Tạo các mặt" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Surface:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "Tô màu theo:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) msgid "Electrostatic Potential" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "Độ phân giải:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isosurface Value:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " (" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "Nhạt" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "Phân tử" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "Kiểu:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "Nhóm" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "Nhóm:" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #, fuzzy msgid "Start Animation" msgstr "Bắt đầu hình động" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) #, fuzzy msgid "Stop Animation" msgstr "Dừng hình động" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,Nguyen Quang Chien, ,Launchpad Contributions:," "Avogadro Team,Nguyen Quang Chien, ,Launchpad Contributions:,Avogadro Team," "Nguyen Quang Chien, ,Launchpad Contributions:,Avogadro Team,Nguyen Quang " "Chien, ,Launchpad Contributions:,Avogadro Team,Nguyen Quang Chien, ," "Launchpad Contributions:,Avogadro Team,Nguyen Quang Chien" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,,,,avogadro-devel@lists.sourceforge.net,,,,avogadro-devel@lists." "sourceforge.net,,,,avogadro-devel@lists.sourceforge.net,,,,avogadro-" "devel@lists.sourceforge.net,,,,avogadro-devel@lists.sourceforge.net," #, fuzzy #~| msgid "Partial charge" #~ msgid "Partial Charge" #~ msgstr "Điện tích từng phần" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "Hình động" #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals" #, fuzzy #~ msgid "Geometry" #~ msgstr "&Tối ưu hình học" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "Các chỉ số nguyên tử" #, fuzzy #~ msgid "By Distance" #~ msgstr "Khoảng cách" #, fuzzy #~ msgid "Select Water…" #~ msgstr "Các chỉ số nguyên tử" #, fuzzy #~ msgid "&Copy" #~ msgstr "Chép tất cả" #, fuzzy #~| msgid "Molecule Charge:" #~ msgid "Molecule Name:" #~ msgstr "Điện tích phân tử:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "Khối lượng phân tử (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "Công thức hoá học:" #~ msgid "Number of Atoms:" #~ msgstr "Số nguyên tử:" #~ msgid "Number of Bonds:" #~ msgstr "Số liên kết:" #~ msgid "TODO" #~ msgstr "CẦN LÀM" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Bước nhảy:" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "Tối ưu hoá" #, fuzzy #~ msgid "In." #~ msgstr "Trong:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "Đoạn..." #~ msgid "Other..." #~ msgstr "Khác..." #, fuzzy #~ msgid "Filename" #~ msgstr "Tên file:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "Vẽ cấu trúc thứ cấp của prô-tê-in" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "Di chuyển" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "Di chuyển" #~ msgid "OK" #~ msgstr "OK" #~ msgid "Cancel" #~ msgstr "Hủy bỏ" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "Tên nguyên tố" #, fuzzy #~| msgid "Dihedral:" #~ msgid "octahedral" #~ msgstr "Góc nhị diện:" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "Phân tử" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "Không có phân tử nào được đặt" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS" #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "Thêm hi-đrô cho pH..." #~ msgid "Atom Properties..." #~ msgstr "Thuộc tính của nguyên tử..." #~ msgid "Bond Properties..." #~ msgstr "Thuộc tính của liên kết..." #~ msgid "Angle Properties..." #~ msgstr "Thuộc tính góc..." #~ msgid "Torsion Properties..." #~ msgstr "Thuộc tính xoắn..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "Thuộc tính phân tử..." #~ msgid "Create Surfaces..." #~ msgstr "Tạo bề mặt..." #~ msgid "Insert Fragment..." #~ msgstr "Thêm đoạn..." #~ msgid "Theory:" #~ msgstr "Lý thuyết:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "Khoảng cách (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "Xoay được" #, fuzzy #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "Đồng phân %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "Đồng phân %1" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "Angle %1" #, fuzzy #~ msgid "Angle" #~ msgstr "Angle:" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "Đồng phân %1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "Xoắn %1" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "Năng lượng (kJ/mol):" #~ msgid "Yes" #~ msgstr "Có" #~ msgid "No" #~ msgstr "Không" #, fuzzy #~ msgid "Input Generators" #~ msgstr "Phát sinh đầu vào..." #, fuzzy #~ msgid "Import" #~ msgstr "Nhập" #~ msgid "Insert SMILES" #~ msgstr "Chèn SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "Chèn các đoạn SMILES:" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "Chèn đoạn" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "Chèn các đoạn phân tử để tạo thành phân tử lớn" #~ msgid "E&xtensions" #~ msgstr "&Phần mở rộng" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "&Tối ưu hình học" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "Tối ưu hoá hình học" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "Thêm hi-đrô" #, fuzzy #~ msgid "Stopped" #~ msgstr "Dừng" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "Mặt" #~ msgid "Color by Index" #~ msgstr "Chọn màu theo chỉ số" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "Chọn màu theo chỉ số (đỏ, cam, vàng, lục, lam, tím)." #~ msgid "Color by Partial Charge" #~ msgstr "Chọn màu theo điện tích từng phần" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "" #~ "Chọn màu theo điện tích từng phần nguyên tử (lam = điện dương, đỏ = điện " #~ "âm." #~ msgid "Set custom colors for objects" #~ msgstr "Đặt màu tự chọn cho các vật" #~ msgid "Color by Distance" #~ msgstr "Chọn màu theo khoảng cách" #~ msgid "Color by distance from the first atom." #~ msgstr "Chọn màu theo khoảng cách từ nguyên tử thứ nhất." #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "Chọn màu theo nguyên tố (các-bon = xám, ô-xi = đỏ, ...)." #~ msgid "SMARTS Pattern:" #~ msgstr "Mẫu SMARTS:" #~ msgid "Highlight Color:" #~ msgstr "Màu để đánh dấu:" #~ msgid "Color by SMARTS Pattern" #~ msgstr "Tô màu theo mẫu SMARTS" #~ msgid "Ununtrium" #~ msgstr "Ununtri" #~ msgid "Ununpentium" #~ msgstr "Ununpenti" #~ msgid "Ununseptium" #~ msgstr "Ununsepti" #~ msgid "Ununoctium" #~ msgstr "Ununocti" #~ msgid "Engines" #~ msgstr "Động cơ" #~ msgid "Axes" #~ msgstr "Trục" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "" #~ "Biểu diễn các thành phần cơ bản bằng hình cầu (nguyên tử) và thanh nối " #~ "(liên kết)" #~ msgid "Hydrogen Bond" #~ msgstr "Liên kết hi-đrô" #~ msgid "Renders hydrogen bonds" #~ msgstr "Vẽ các liên kết hi-đrô" #~ msgid "Select Atom Labels Color" #~ msgstr "Chọn màu cho nhãn nguyên tử" #~ msgid "Select Bond Labels Color" #~ msgstr "Chọn màu cho nhãn liên kết" #~ msgid "Select Bond Labels Font" #~ msgstr "Chọn phông chữ cho nhãn liên kết" #~ msgid "Polygon" #~ msgstr "Đa giác" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "Vẽ nguyên tử dưới dạng tứ giác, bát giác và các đa giác khác" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "Vẽ trục prô-tê-in dưới dạng ruy-băng" #~ msgid "Ring" #~ msgstr "Vòng" #~ msgid "Renders rings with colored planes" #~ msgstr "Vẽ vòng với các mặt phẳng màu" #~ msgid "Simple Wireframe" #~ msgstr "Khung dây đơn giản" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "Vẽ liên kết như các dây (đường), phù hợp với các nguyên tử lớn" #~ msgid "Van der Waals Spheres" #~ msgstr "Hình cầu Van der Waals" #~ msgid "Stick" #~ msgstr "Thanh" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "Mặt mức mật độ electron = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "Mặt mức %1 = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "" #~ "Vẽ liên kết như các sợi dây (đường thẳng), phù hợp với các (sinh) phân tử " #~ "lớn" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "Thêm phần mở rộng .avi" #~ msgid "Animation..." #~ msgstr "Hình động..." #~ msgid "Cannot read file format of file %1." #~ msgstr "Không thể đọc định dạng file %1." #~ msgid "Read trajectory file %1 failed." #~ msgstr "Việc đọc file quỹ đạo %1 không thành công." #~ msgid "Must specify a valid .avi file name" #~ msgstr "Phải chỉ định tên một file .avi hợp lệ" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "Khiển tố GL không được cài đặt đúng để lưu video" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "Tên file video không hợp lệ. Phải kèm theo đầy đủ đường dẫn" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "" #~ "Tên file video không hợp lệ. Phải kèm theo đầy đủ đường dẫn và tên file, " #~ "kết thúc bởi .avi" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "Làm chuyển động các quỹ đạo, phản ứng và rung động." #~ msgid "Cartesian Editor" #~ msgstr "Trình biên tập Đề-các" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "" #~ "Chưa có ô đơn vị nào được chỉ định cho phân tử -- không thể sử dụng toạ " #~ "độ phân số." #~ msgid "Cartesian Editor..." #~ msgstr "Trình biên tập Đề-các..." #~ msgid "Cartesian editor" #~ msgstr "Trình biên tập Đề-các" #~ msgid "Number of atoms: %1" #~ msgstr "Số nguyên tử: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "Số liên kết xoay được: %1" #~ msgid "Add constraint" #~ msgstr "Thêm ràng buộc" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "" #~ "Phân tử của bạn phải có ít nhất một nguyên tử để thêm được ràng buộc" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "" #~ "Phân tử của bạn phải có ít nhất hai nguyên tử để thêm được ràng buộc liên " #~ "kết" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "" #~ "Phân tử của bạn phải có ít nhất ba nguyên tử để thêm được ràng buộc về góc" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "" #~ "Phân tử của bạn phải có ít nhất bốn nguyên tử để thêm được ràng buộc về " #~ "độ xoắn" #~ msgid "Trajectory..." #~ msgstr "Quỹ đạo..." #~ msgid "Open chemical file format" #~ msgstr "Mở định dạng file hoá học" #~ msgid "Chemical files (*.xyz)" #~ msgstr "Các files hoá học (*.xyz)" #~ msgid "Import Trajectory" #~ msgstr "Nhập quỹ đạo" #~ msgid "Import trajectory files" #~ msgstr "Nhập các file quỹ đạo" #~ msgid "Calculate Energy" #~ msgstr "Tính năng lượng" #~ msgid "Conformer Search..." #~ msgstr "Tìm đồng phân..." #~ msgid "Constraints..." #~ msgstr "Ràng buộc..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "" #~ "Không thể thiết lập trường lực đang được chọn cho phân tử này. Chuyển " #~ "sang UFF." #~ msgid "ForceField" #~ msgstr "Trường lực" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "Tối ưu hoá phân tử và phát sinh các đồng phân bằng cách dùng trường lực " #~ "cơ phân tử" #~ msgid "Change H to Methyl" #~ msgstr "Thay H bằng mê-tyl" #~ msgid "H to Methyl" #~ msgstr "H bằng mê-tyl" #~ msgid "H2Methyl" #~ msgstr "H-Metyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "Chuyển hi-đrô thành các nhóm mê-tyl" #~ msgid "Add or remove hydrogens" #~ msgstr "Thêm hoặc bỏ hi-đrô" #~ msgid "Peptide..." #~ msgstr "Pep-tit..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "Chèn các chuỗi ô-li-gô-pep-tit" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "Giá trị uớc tính của mô-men lưỡng cực (D):" #~ msgid "Fetch by chemical name..." #~ msgstr "Lấy theo tên hoá học..." #~ msgid "Fetch from URL..." #~ msgstr "Lấy từ URL..." #~ msgid "PDB Entry" #~ msgstr "Mục PDB" #~ msgid "PDB entry to download." #~ msgstr "Mục PDB để tải xuống." #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "URL của phân tử cần tải xuống." #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "Không tải được phân tử đã cho: %1" #~ msgid "Fetch molecule files over the network." #~ msgstr "Lấy file phân tử qua mạng." #~ msgid "Show Preview" #~ msgstr "Hiện khung xem thử" #~ msgid "Hide Preview" #~ msgstr "Ẩn khung xem thử" #~ msgid "Save POV-Ray rendered image" #~ msgstr "Lưu hình đã được hiển thị dưới dạng POV-Ray" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "Các file ảnh (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "Chưa có tên file hợp lệ nào được nhập vào." #~ msgid "Does not compute." #~ msgstr "Không tính toán." #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "Bạn yêu cầu trực tiếp vẽ POV-Ray nhưng không giữ lại file POV-Ray. Điều " #~ "này đồng nghĩa với việc kết quả sẽ không được lưu lại. Bạn chắc rằng muốn " #~ "như vậy chứ?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "Không thể ghi vào file %1. Bạn có quyền ghi vào file này không?" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray khởi động không thành công." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "" #~ "POV-Ray khởi động không thành công. Có thể đường dẫn đến file chương " #~ "trình chạy chưa được đặt đúng." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "" #~ "Tạo các file POV-Ray và vẽ chúng bằng chương trình POV-Ray từ dòng lệnh." #~ msgid "Conformer Properties..." #~ msgstr "Thuộc tính đồng phân..." #~ msgid "Python Terminal" #~ msgstr "Cửa sổ lệnh Python" #~ msgid "pythonTerminalDock" #~ msgstr "pythonTerminalDock" #~ msgid "Interactive python scripting terminal" #~ msgstr "Cửa sổ lệnh tương tác Python" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "Chọn EFP..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "Chọn QM..." #~ msgid "Delete" #~ msgstr "Xoá" #~ msgid "You must make a selection!" #~ msgstr "Bạn phải lựa chọn!" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "Không có chuyển đổi SMILES" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "Không có chuyển đổi định dạng SMILES!" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "Tạo file đầu vào cho gói phần mềm hóa lượng tử GAMESS" #~ msgid "Advanced Settings Changed" #~ msgstr "Đã thay đổi các yếu tố cài đặt nâng cao" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "Các yếu tố cài đặt nâng cao bị thay đổi.\n" #~ "Hủy bỏ thay đổi này?" #~ msgid "Advanced Settings Reset" #~ msgstr "Đã đặt mặc định cho các cài đặt nâng cao" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Bạn có chắc rằng muốn đưa các cài đặt nâng cao trở về mặc định?\n" #~ "Mọi thay đổi sẽ mất đi!" #~ msgid "Basic Settings Reset" #~ msgstr "Đã đặt mặc định cho các cài đặt cơ bản" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "Bạn có chắc rằng muốn đưa các cài đặt cơ bản trở về mặc định?\n" #~ "Mọi thay đổi sẽ mất đi!" #~ msgid "Gaussian Input Deck" #~ msgstr "Bảng nhập đầu vào Gauss" #~ msgid "The G03 executable, cannot be found." #~ msgstr "Không tìm thấy file chạy G03." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "Không thể khởi động G03. Có lẽ nó đã không được cài đặt thành công." #~ msgid "Running Gaussian calculation..." #~ msgstr "Đang chạy tính toán Gauss..." #~ msgid "G03 Crashed." #~ msgstr "G03 bị lỗi và dừng chạy." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "G03 bị lỗi và dừng chạy. Có lẽ nó đã không được cài đặt thành công." #~ msgid "&Dalton..." #~ msgstr "&Dalton..." #~ msgid "&Gaussian..." #~ msgstr "&Gauss..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "Molpro Input Deck" #~ msgstr "Bảng nhập số liệu Molpro" #~ msgid "MOPAC Input Warning" #~ msgstr "Cảnh báo về dữ liệu đầu vào MOPAC" #~ msgid "MOPAC Input Deck" #~ msgstr "Bảng nhập số liệu MOPAC" #~ msgid "MOPAC Running." #~ msgstr "Đang chạy MOPAC" #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "" #~ "MOPAC đang chạy. Hãy đợi đến khi phép tính trước đó được hoàn thành." #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC chưa được cài đặt" #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "Không tìm được file chương trình chạy MOPAC" #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "Không khởi động được MOPAC. Có lẽ nó đã không được cài đặt đúng." #~ msgid "Running MOPAC calculation..." #~ msgstr "MOPAC đang tính toán..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC bị lỗi và dừng chạy." #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "" #~ "MOPAC không hoạt động bình thường. Có lẽ nó đã không được cài đặt đúng" #~ msgid "NWChem Input Deck" #~ msgstr "Bảng nhập số liệu NWChem" #~ msgid "QChem Input Deck" #~ msgstr "Bảng nhập số liệu QChem" #~ msgid "Select SMARTS..." #~ msgstr "Chọn SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "Thêm vào lựa chọn đã đặt tên..." #~ msgid "SMARTS Selection" #~ msgstr "Chọn SMARTS" #~ msgid "SMARTS pattern to select" #~ msgstr "Mẫu SMARTS dùng để chọn" #~ msgid "There is no current selection." #~ msgstr "Không có lựa chọn hiện thời nào." #~ msgid "Add Named Selection" #~ msgstr "Thêm vào lựa chọn đã được đặt tên" #~ msgid "Name cannot be empty." #~ msgstr "Phải có tên" #~ msgid "There is already a selection with this name." #~ msgstr "Đã có một lựa chọn với tên này." #~ msgid "Open a vertex shader source file" #~ msgstr "Mở một file nguồn tô đỉnh" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "File tô đỉnh (*.vert)" #~ msgid "Intensity (arb. units)" #~ msgstr "Cường độ (đ.vị bất kì)" #~ msgid "Density of States (states/cell)" #~ msgstr "Mật độ trạng thái (số trạng thái/ô)" #~ msgid "Density of States (states/atom)" #~ msgstr "Mật độ trạng thái (số trạng thái/nguyên tử)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "Mật độ trạng thái (số trạng thái/e hóa trị)" #~ msgid "Transmittance (%)" #~ msgstr "Độ dẫn (%)" #~ msgid "Absorbance (%)" #~ msgstr "Độ hấp thụ (%)" #~ msgid "No intensities" #~ msgstr "Không có cường độ" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "Số liệu rung động trong nguyên tử bạn vừa tải lên không bao gồm bất kì số " #~ "liệu cường độ nào. Để phục vụ việc hiển thị, các cường độ được đặt giá " #~ "trị bất kì." #~ msgid "Activity" #~ msgstr "Hoạt độ" #~ msgid "X Axis" #~ msgstr "Trục X" #~ msgid "Y Axis" #~ msgstr "Trục Y" #~ msgid "&Infrared Spectra Settings" #~ msgstr "Đặt thuộc tính phổ &hồng ngoại" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR" #~ msgid "&NMR Spectra Settings" #~ msgstr "Đặt thuộc tính &NMR" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgid "&CD Settings" #~ msgstr "Cài đặt &CD" #~ msgid "&Raman Settings" #~ msgstr "Cài đặt &Raman" #~ msgid "No data" #~ msgstr "Không có số liệu" #~ msgid "Dark" #~ msgstr "Đậm" #~ msgid "Publication" #~ msgstr "Xuất bản" #~ msgid "Handdrawn" #~ msgstr "Được vẽ bằng tay" #~ msgid "New Scheme" #~ msgstr "Sơ đồ mới" #~ msgid "Confirm Scheme Removal" #~ msgstr "Khẳng định việc xóa bỏ sơ đồ" #~ msgid "Really remove current scheme?" #~ msgstr "Chắc chắn xóa bỏ sơ đồ hiện hành?" #~ msgid "Change Scheme Name" #~ msgstr "Đổi tên sơ đồ" #~ msgid "Enter new name for current scheme:" #~ msgstr "Đặt tên mới cho sơ đồ hiện hành:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "Dạng giá trị ngăn cách bởi dấu Tab (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Dạng giá trị ngăn cách bởi dấu Tab" #~ msgid "Comma Separated Values" #~ msgstr "Dạng giá trị ngăn cách bởi dấu phảy" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "Không rõ phần mở rộng: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "Số liệu PWscf IR (*.out)" #~ msgid "Data Format" #~ msgstr "Định dạng dữ liệu" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "Dạng thức:" #~ msgid "Load Spectral Data" #~ msgstr "Tải số liệu phổ" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics (PNG)" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "Dạng thức tập tin ảnh có thẻ (TIFF)" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap (BMP)" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap" #~ msgid "Save Spectra Image" #~ msgstr "Lưu ảnh phổ" #~ msgid "&Advanced <<" #~ msgstr "&Thêm <<" #~ msgid "&Advanced >>" #~ msgstr "&Thêm >>" #~ msgid "&Spectra..." #~ msgstr "&Phổ..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "Hiển thị số liệu phổ từ kết quả tính toán hóa lượng tử" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "Tính toán rung động" #~ msgid "No vibrational displacements exist." #~ msgstr "Không tồn tại chuyển vị rung." #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "Hiển thị các mode rung động từ kết quả tính toán hóa lượng tử" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "Sắp xếp các rung động %1 theo tần số..." #~ msgid "Pause" #~ msgstr "Tạm ngừng" #~ msgid "Molecular Orbitals..." #~ msgstr "Orbital phân tử..." #~ msgid "Orbitals" #~ msgstr "Các orbital" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "Không có gì" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "Mật độ electron" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "Lỗi - kiểu không xác định" #~ msgid "Calculating VdW Cube" #~ msgstr "Tính mặt cầu VdW" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "Tính MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "Tính mật độ orbital phân tử và các mặt khác" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "" #~ "Khiển tố GL không được cài đặt đúng để có thể tạo ra đoạn phim video" #~ msgid "Building video " #~ msgstr "Đang tạo video " #~ msgid "Set Aspect Ratio" #~ msgstr "Đặt tỉ lệ các trục" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "Khung hình Avogadro hiện thời có kích thước %1x%2 điểm ảnh, tức là có tỉ " #~ "lệ kích thước %3.\n" #~ "Bạn có thể giữ giá trị này, chẳng hạn nếu muốn dùng POV-Ray\n" #~ "để tạo ra một hình %4x1000 điểm ảnh, hoặc có thể nhập vào một số dương " #~ "khác, chẳng hạn\n" #~ "số 1 nếu bạn muốn dùng POV-Ray để tạo ra một ảnh hình vuông 1000x1000 " #~ "điểm ảnh." #~ msgid "Connect" #~ msgstr "Kết nối" #~ msgid "Disconnect" #~ msgstr "Ngắt kết nối" #~ msgid "&WiiTrack" #~ msgstr "&WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Dò Wii" #~ msgid "Track motion using Wii remotes" #~ msgstr "Dò theo chuyển động bằng điều khiển từ xa của Wii" #~ msgid "Debug Information" #~ msgstr "Thông tin gỡ lỗi" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "Kích thước khung nhìn: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "Nguyên tử: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: không gọi được đến chỉ số %1." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "Kiểu file '%1' không được hỗ trợ cho việc đọc số liệu." #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "Kiểu của file '%1' không được hỗ trợ cho việc đọc số liệu." #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "Không đọc được phân tử có chỉ số %1 từ file '%2'." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "replaceMolecule: không gọi được đến chỉ số %1." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "Kiểu file '%1' không được hỗ trợ việc ghi dữ liệu." #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "Kiểu file của '%1' không được hỗ trợ việc ghi dữ liệu." #~ msgid "Could not open file '%1' for reading." #~ msgstr "Không thể mở file '%1' để đọc dữ liệu." #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "Không thay thế được phân tử với chỉ số %1 trong file '%2'." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "Không thể mở file %1 để đọc dữ liệu." #~ msgid "File %1 can not be opened for writing." #~ msgstr "Không thể mở file %1 để ghi dữ liệu." #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "Không lưu được file phân tử - không thể đổi tên file gốc." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "Không lưu được file phân tử - không thể đổi tên file mới." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "Không lưu được file phân tử - không thể xoá file cũ." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "" #~ "Không ghi được thông tin về một phân tử vào file '%1'. Hàm OpenBabel " #~ "không hoạt động." #~ msgid "File %1 cannot be opened for writing." #~ msgstr "Không thể mở file %1 để ghi." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "Không ghi được số liệu các đồng đẳng vào file '%1'." #~ msgid "Molecule %1" #~ msgstr "Phân tử %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "Không rõ loại máy Python" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: đang kiểm tra " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - script không có lớp 'Engine' nào được định nghĩa" #~ msgid " - no module" #~ msgstr " - không có module" #~ msgid "Unknown Python Extension" #~ msgstr "Không rõ phần mở rộng Python" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: đang kiểm tra " #~ msgid " - script has no 'Extension' class defined" #~ msgstr "" #~ " - mã lệnh không có lớp 'Extension' [Phần mở rộng] nào được định nghĩa" #~ msgid "Unknown Python Tool" #~ msgstr "Không rõ công cụ Python" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: đang kiểm tra " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - mã lệnh không có lớp 'Tool' [công cụ] nào được định nghĩa" #~ msgid "Tools" #~ msgstr "Công cụ" #~ msgid "Align:" #~ msgstr "Dóng:" #~ msgid "Everything" #~ msgstr "Mọi thứ" #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "Tự động tối ưu: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Ràng buộc số: %1" #~ msgid "Steps per Update:" #~ msgstr "Số bước trong mỗi lượt cập nhật:" #~ msgid "Algorithm:" #~ msgstr "Thuật toán:" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "Động lực học phân tử (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "Động lực học phân tử (900K)" #~ msgid "Start" #~ msgstr "Bắt đầu" #~ msgid "Ignored atoms are movable" #~ msgstr "Các nguyên tử được bỏ qua đều di chuyển được" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "Tối ưu hoá tự động cho dạng hình học phân tử" #~ msgid "AutoOptimization Settings" #~ msgstr "Cài đặt cho tối ưu hoá tự động" #~ msgid "Auto Rotation Tool" #~ msgstr "Công cụ xoay tự động" #~ msgid "x rotation:" #~ msgstr "xoay quanh trục x:" #~ msgid "x rotation" #~ msgstr "xoay quanh trục x" #~ msgid "y rotation:" #~ msgstr "xoay quanh trục y:" #~ msgid "y rotation" #~ msgstr "xoay quanh trục y" #~ msgid "z rotation:" #~ msgstr "xoay quanh trục z:" #~ msgid "z rotation" #~ msgstr "xoay quanh trục z" #~ msgid "Automatic rotation of molecules" #~ msgstr "Xoay tự động các phân tử" #~ msgid "AutoRotate Settings" #~ msgstr "Cài đặt cho xoay tự động" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "Chiều dài liên kết: %L1" #~ msgid " Show Angles" #~ msgstr " Hiện các góc" #~ msgid "Bond Centric Manipulate" #~ msgstr "Thao tác với liên kết" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "Thao tác chiều dài, góc, độ xoắn của liên kết" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "Các cài đặt liên quan đến thao tác với liên kết" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "Khoảng cách (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "Khoảng cách (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "Góc nhị diện: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "Khoảng cách:" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "Đo chiều dài, góc, và góc nhị diện của liên kết" #~ msgid "Draw Bond" #~ msgstr "Vẽ liên kết" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "Vẽ và chỉnh sủa nguyên tử và liên kết" #~ msgid "Draw Settings" #~ msgstr "Cài đặt cho thao tác vẽ" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "Dịch chuyển, quay, chỉnh các nguyên tử và các đoạn" #~ msgid "Manipulate Settings" #~ msgstr "Cài đặt cho việc thao tác" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "Dịch chuyển, xoay và thu phóng quanh khung nhìn hiện thời" #~ msgid "Navigate Settings" #~ msgstr "Cài đặt cho việc di chuyển" #~ msgid "Selection Mode:" #~ msgstr "Chế độ lựa chọn:" #~ msgid "Atom/Bond" #~ msgstr "Nguyên tử/Liên kết" #~ msgid "Change color of the atom" #~ msgstr "Đổi màu nguyên tử" #~ msgid "Change label of the atom" #~ msgstr "Đổi nhãn của nguyên tử" #~ msgid "Change label of the bond" #~ msgstr "Đổi nhãn của liên kết" #~ msgid "Change radius of the atom" #~ msgstr "Thay đổi bán kính nguyên tử" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "Bán kính mới, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "Chọn các nguyên tử, dư chất, và phân tử" #~ msgid "Symbol" #~ msgstr "Ký hiệu" #~ msgid "Bond Length" #~ msgstr "Độ dài liên kết" #~ msgid "Dihedral Angle" #~ msgstr "Góc nhị diện" #~ msgid "Z Matrix Editor..." #~ msgstr "Công cụ biên tập ma trận Z..." #~ msgid "Z-Matrix" #~ msgstr "Ma trận Z" #~ msgid "Create/edit a z-matrix" #~ msgstr "Tạo ra/sửa một ma trận Z" #~ msgid "Z-Matrix Settings" #~ msgstr "Cài đặt cho ma trận Z" #~ msgid "Hydrophobicity" #~ msgstr "Tính kị nước" #~ msgid "Axes:" #~ msgstr "Trục:" #~ msgid "Cartesian Axes" #~ msgstr "Trục Đề-các" #~ msgid "Orthogonal Axes" #~ msgstr "Trục vuông góc" #~ msgid "Axis 1:" #~ msgstr "Trục 1:" #~ msgid "Axis 2:" #~ msgstr "Trục 2:" #~ msgid "Axis 3:" #~ msgstr "Trục 3:" #~ msgid "Norm" #~ msgstr "Chuẩn" #~ msgid "Preserve vector norms" #~ msgstr "Giữ nguyên chuẩn véc-tơ" #~ msgid "Atom Radius:" #~ msgstr "Bán kính nguyên tử:" #~ msgid "Bond Radius:" #~ msgstr "Bán kính liên kết:" #~ msgid "Shape" #~ msgstr "Hình" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "Vòng" #~ msgid "Dipole:" #~ msgstr "Lưỡng cực:" #~ msgid "Custom Vector" #~ msgstr "Véc-tơ tự chọn" #~ msgid "Cut-off radius:" #~ msgstr "Bán kính cắt bỏ:" #~ msgid "Cut-off angle:" #~ msgstr "Góc cắt bỏ:" #~ msgid "Rendering Engine:" #~ msgstr "Bộ phận lên hình:" #~ msgid "TextRenderer" #~ msgstr "Phần mềm hiện chữ" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "Đoạn chữ :" #~ msgid "Symbol & Number in Group" #~ msgstr "Ký hiệu & số trong nhóm" #~ msgid "Symbol & Atom number" #~ msgstr "Ký hiệu & số nguyên tử" #~ msgid "Custom data" #~ msgstr "Dữ liệu do người dùng cấp" #~ msgid "Change Font" #~ msgstr "Thay đổi phông chữ" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Dịch chuyển nhãn:" #~ msgid "Bond length" #~ msgstr "Độ dài liên kết" #~ msgid "Bond number" #~ msgstr "Số liên kết" #~ msgid "Bond order" #~ msgstr "Bậc liên kết" #~ msgid "Radius:" #~ msgstr "Bán kính:" #~ msgid "Include Nitrogens" #~ msgstr "Chứa nitơ" #~ msgid "VdW Opacity:" #~ msgstr "Độ đục VdW:" #~ msgid "Orbital:" #~ msgstr "Orbital:" #~ msgid "Render:" #~ msgstr "Lên hình:" #~ msgid "Fill" #~ msgstr "Tô đầy" #~ msgid "Points" #~ msgstr "Điểm" #~ msgid "Draw Box:" #~ msgstr "Vẽ khung:" #~ msgid "Positive" #~ msgstr "Dương" #~ msgid "Negative" #~ msgstr "Âm" #~ msgid "Show Atoms" #~ msgstr "Hiện các nguyên tử" #~ msgid "Animate Trajectory" #~ msgstr "Qũy đạo chuyển động" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "Vòng" #~ msgid "Save as .avi..." #~ msgstr "Lưu dưới dạng .avi..." #~ msgid "Bohrs" #~ msgstr "Bo" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, chỉ có toạ độ" #~ msgid "GAMESS Input #2" #~ msgstr "Đầu vào GAMESS #2" #~ msgid "Priroda Input" #~ msgstr "Đầu vào Priroda" #~ msgid "Apply Changes" #~ msgstr "Áp dụng các thay đổi" #~ msgid "Cut All" #~ msgstr "Cắt toàn bộ" #~ msgid "Paste to the End" #~ msgstr "Dán vào cuối" #~ msgid "(None)" #~ msgstr "(Không)" #~ msgid "Sort by " #~ msgstr "Sắp xếp theo " #~ msgid "Number of atoms:" #~ msgstr "Số nguyên tử:" #~ msgid "Number of rotatable bonds:" #~ msgstr "Số liên kết xoay được:" #~ msgid "Ignore Atom" #~ msgstr "Bỏ qua nguyên tử" #~ msgid "Fix Atom" #~ msgstr "Cố định nguyên tử" #~ msgid "Fix Atom X" #~ msgstr "Cố định toạ độ X của nguyên tử" #~ msgid "Fix Atom Y" #~ msgstr "Cố định toạ độ Y của nguyên tử" #~ msgid "Fix Atom Z" #~ msgstr "Cố định toạ độ Z của nguyên tử" #~ msgid "Torsion angle" #~ msgstr "Góc xoắn" #~ msgid "Add" #~ msgstr "Thêm" #~ msgid "Save" #~ msgstr "Lưu" #~ msgid "Load" #~ msgstr "Tải" #~ msgid "Cartesian" #~ msgstr "Đề-các" #~ msgid "All" #~ msgstr "Tất cả" #~ msgid "File Import..." #~ msgstr "Nhập file..." #~ msgid "Setup Force Field" #~ msgstr "Thiết lập trường lực" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "Số bước" #~ msgid "Algorithm" #~ msgstr "Thuật toán" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "Arginine" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "Asparagine" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "A-xit aspartic" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "Xys-tê-in" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "A-xit glutamic" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "Glutamin" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "Gly-xin" #~ msgid "Gly" #~ msgstr "Gly" #~ msgid "Histidine" #~ msgstr "Histidin" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "Isoleucine" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyr" #~ msgstr "Tyr" #~ msgid "Tryptophan" #~ msgstr "Tryptophan" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "Threonine" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "Xê-rin" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "Prô-lin" #~ msgid "Phenylalanine" #~ msgstr "Phenyl-alanin" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "Methionine" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "Ly-xin" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "Leucine" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "L" #~ msgstr "T" #~ msgid "N Terminus:" #~ msgstr "Đầu N:" #~ msgid "C Terminus:" #~ msgstr "Đầu C:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Straight Chain" #~ msgstr "Chuỗi thẳng" #~ msgid "Alpha Helix" #~ msgstr "Xoắn an-pha" #~ msgid "Pi Helix" #~ msgstr "Xoắn Pi" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "E" #~ msgstr "Đ" #~ msgid "F" #~ msgstr "T" #~ msgid "Dipole Moment (D):" #~ msgstr "Mô-men lưỡng cực (D):" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "Nâng cao" #~ msgid "Grid" #~ msgstr "Lưới" #~ msgid "POV-Ray Export" #~ msgstr "Xuất dưới dạng POV-Ray" #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "Làm trơn hình toàn cảnh" #~ msgid "Antialias" #~ msgstr "Làm trơn" #~ msgid "Set the background color to be transparent" #~ msgstr "Đặt nền trong suốt" #~ msgid "Alpha transparency" #~ msgstr "Độ trong alpha" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "Lên hình phân tử bằng cách trực tiếp dùng lệnh POV-Ray" #~ msgid "Path:" #~ msgstr "Đường dẫn:" #~ msgid "Compute..." #~ msgstr "Tính..." #~ msgid "Basics" #~ msgstr "Cơ bản" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "&Advanced Setup" #~ msgstr "Cài đặt &nâng cao" #~ msgid "Hessian" #~ msgstr "Hesse" #~ msgid "System" #~ msgstr "Hệ thống" #~ msgid "Misc" #~ msgstr "Các thứ khác" #~ msgid "Read" #~ msgstr "Đọc" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Hoá trị zeta kép" #~ msgid "Dunning/Hay DZ" #~ msgstr "DZ Dunning/Hay" #~ msgid "SBKJA Valence" #~ msgstr "Hoá trị SBKJA" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hoá trị Hay/Wadt" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "Kiểu ECP:" #~ msgid "Default" #~ msgstr "Mặc định" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "Polar:" #~ msgstr "Cực:" #~ msgid "Max SCF Iterations:" #~ msgstr "Số lần lặp SCF cực đại:" #~ msgid "Gradient" #~ msgstr "Gradient" #~ msgid "Saddle Point" #~ msgstr "Điểm yên ngựa" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Cực trị gradient" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Spin Orbit" #~ msgstr "Quỹ đạo spin" #~ msgid "Finite Electric Field" #~ msgstr "Trường điện tích hữu hạn" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "Tối ưu hoá toàn cục" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "Tối ưu hoá FMO" #~ msgid "Raman Intensities" #~ msgstr "Các cường độ Raman" #~ msgid "Make EFP" #~ msgstr "Tạo EFP" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "Không (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "Kiểu SCF:" #~ msgid "Localization Method:" #~ msgstr "Phương pháp địa phương hoá:" #~ msgid "Exec Type:" #~ msgstr "Kiểu thực thi:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: CC tuyến tính hoá" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Chạy bình thường" #~ msgid "Check" #~ msgstr "Kiểm tra" #~ msgid "Debug" #~ msgstr "Gỡ lỗi" #~ msgid "Run Type:" #~ msgstr "Kiểu chạy:" #~ msgid "Use MP2" #~ msgstr "Dùng MP2" #~ msgid "Use DFT" #~ msgstr "Dùng DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# của biến ma trận Z" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Toạ độ Đề-các duy nhất" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Dùng tính đối xứng trong quá trình tính toán" #~ msgid "Point Group:" #~ msgstr "Nhóm điểm:" #~ msgid "Minutes" #~ msgstr "Phút" #~ msgid "Hours" #~ msgstr "Giờ" #~ msgid "Days" #~ msgstr "Ngày" #~ msgid "Weeks" #~ msgstr "Tuần" #~ msgid "Years" #~ msgstr "Năm" #~ msgid "Millenia" #~ msgstr "Thiên niên kỉ" #~ msgid "MegaWords" #~ msgstr "MegaWord" #~ msgid "MegaBytes" #~ msgstr "MegaByte" #~ msgid "GigaWords" #~ msgstr "GigaWord" #~ msgid "GigaBytes" #~ msgstr "GigaByte" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Tạo file \"lõi\" khi huỷ bỏ công việc" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "Bộ nhớ :" #~ msgid "Diagonalization Method:" #~ msgstr "Phương pháp chéo hoá:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Kiểu cân bằng tải song song" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "Vòng" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "Giá trị kết tiếp" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Dùng cách thể hiện dữ liệu ngoài cho các thông báo" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "Đọc MO ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "Đã lưu MO (DICTNRY)" #~ msgid "Skip" #~ msgstr "Bỏ qua" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "Xoay các orbital Alpha và Beta" #~ msgid "Print the Initial Guess" #~ msgstr "In giá trị đoán ban đầu" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "Giao diện GAMESS với các mã khác" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (Phiên bản nước Anh)" #~ msgid "Solvate with Water" #~ msgstr "Hoà trong dung môi nước" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Phát sinh các orbital tự nhiên UHF" #~ msgid "Direct SCF" #~ msgstr "SCF trực tiếp" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: tương quan Vosko-Wilk-Nusair (VWN5)" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: tương quan Lee-Yang-Parr" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: tương quan SLATER + Lee-Yang-Parr (LYP)" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: tương quan SLATER + OP" #~ msgid "Grid-Free" #~ msgstr "Không cần lưới" #~ msgid "Duplicated on Each Node" #~ msgstr "Lặp lại trên mỗi nút" #~ msgid "Compute MP2 Properties" #~ msgstr "Tính toán các thuộc tính MP2" #~ msgid "Segmented Transformation" #~ msgstr "Biến đổi phân đoạn" #~ msgid "Numeric" #~ msgstr "Dạng số" #~ msgid "Double Differenced Hessian" #~ msgstr "Hesse sai phân kép" #~ msgid "Print Internal Force Constants" #~ msgstr "In các hằng số nội lực" #~ msgid "Displacement Size:" #~ msgstr "Kích thước chuyển vị:" #~ msgid "bohrs" #~ msgstr "bo" #~ msgid "Initial Hessian" #~ msgstr "Hesse ban đầu" #~ msgid "Read (from $HESS)" #~ msgstr "Đọc (từ $HESS)" #~ msgid "Update Step Size" #~ msgstr "Cập nhật độ dài bước" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "In các orbital tại mỗi lần lặp" #~ msgid "Stationary Point" #~ msgstr "Điểm dừng" #~ msgid "Initial:" #~ msgstr "Ban đầu:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Tối ưu hàm số phân thức" #~ msgid "Quadratic Approximation" #~ msgstr "Xấp xỉ bậc hai" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (giả-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Tối ưu hoá có ràng buộc" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Tính lại Hesse mỗi:" #~ msgid "Basis:" #~ msgstr "Cơ sở:" #~ msgid "Z-matrix" #~ msgstr "ma trận Z" #~ msgid "Gaussian Input" #~ msgstr "Đầu vào Gauss" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "Tiêu chuẩn" #~ msgid "Checkpoint:" #~ msgstr "Điểm kiểm tra:" #~ msgid "Z-matrix (compact)" #~ msgstr "ma trận Z (thu gọn)" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Display Type:" #~ msgstr "Kiểu hiển thị:" #~ msgid "Change Font..." #~ msgstr "Đổi phông chữ..." #~ msgid "New..." #~ msgstr "Tạo mới..." #~ msgid "Rename..." #~ msgstr "Đổi tên..." #~ msgid "&Schemes:" #~ msgstr "&Sơ đồ:" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "Bề &rộng:" #~ msgid "&Height" #~ msgstr "Chiều &cao" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "inch" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "Dùng một giá trị tối ưu cho cỡ phông chữ thay vì giá trị được chỉ định " #~ "theo sơ đồ (việc chuyển từ màn hình sang cỡ phông sẽ không đẹp!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "Tự động điều chỉnh cỡ &phông chữ" #~ msgid "&Gaussian Width:" #~ msgstr "Bề rộng &Gauss:" #~ msgid "&Label peaks" #~ msgstr "Đặt &nhãn cho các đỉnh" #~ msgid "&Y Axis Units:" #~ msgstr "Đơn vị trục &Y:" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Gaussian &Width:" #~ msgstr "&Bề rộng Gauss:" #~ msgid "Reset &Plot Axes" #~ msgstr "Đặt lại các &trục để vẽ" #~ msgid "Label Peaks:" #~ msgstr "Đặt nhãn cho các đỉnh:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "Rung động của phân tử" #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "các rung động với tần số cao sẽ cho thấy chuyển động nhanh hơn" #~ msgid "Animation speed set by frequency" #~ msgstr "Tốc độ hoạt hình đặt theo tần số" #~ msgid "Display force &vectors" #~ msgstr "Hiển thị &véc-tơ lực" #~ msgid "Surface Type:" #~ msgstr "Kiểu mặt:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "Thấp" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "Trung bình" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "Cao" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "Rất cao" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "Trong kiểu hiển thị:" #~ msgid "New Display" #~ msgstr "Cửa sổ hiển thị mới" #~ msgid "Advanced..." #~ msgstr "Thêm..." #~ msgid "Display visual cues" #~ msgstr "Hiện các hỗ trợ xem hình" #~ msgid "Python Settings" #~ msgstr "Đặt chế độ cho Python" #~ msgid "Z Matrix Editor" #~ msgstr "Soạn thảo ma trận Z" avogadrolibs-1.100.0/i18n/zh_CN.po000066400000000000000000011522521474375334400164730ustar00rootroot00000000000000# Simplified Chinese translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # Liu Tao , 2021. # 刘韬 , 2021. # Hugel , 2022. # FAN JI , 2022. # Shusong Zhang , 2023. # alchemistcai , 2023. # Chiyu Liang <532117255@qq.com>, 2023, 2024. # Sihan Zhang , 2024. # KeysBits , 2024. # Weblate Translation Memory , 2024. # LibreTranslate , 2024. # zhang tengshuo , 2024. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-16 14:01+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Chinese (Simplified Han script) \n" "Language: zh_CN\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=1; plural=0;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:02+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "批处理作业 #%L1 （%2）" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "未指定消息。" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" "脚本 --print-options 输出必须是顶级的JSON对象。接收:\n" "%1" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "返回非字符串警告。" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "'warnings' 成员不是数组。" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "目标文件'%1'不存在。" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "从%1 到%2的文件填充错误" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "文件 '%1' 格式错误。缺少字符串 'contents' 或 'filePath' 成员。" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" "文件输入异常：文件名/内容丢失，或者不是字符串：\n" "%1" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "位于 %1 的文件输入异常：不是对象。" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "'files' 成员不是数组。" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "缺少 'files' 成员。" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "'mainFile' 成员未指向 'file' 中的条目。" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "'mainFile' 成员必须是字符串。" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "响应必须是顶级的 JSON 对象。" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" "脚本输出：\n" "%1" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" "偏移 %L1： '%2' 的解析误差\n" "原始 Json：\n" "\n" "%3" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "保存分子表示为字符串时出错：未识别的文件格式： %1" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "保存分子表示为字符串时出错： %1" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" "生成 cjson 对象时出错：偏移 %1： %2 的解析错误\n" "原始 Json：\n" "\n" "%3" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" "生成 cjson 对象时出错：解析的 JSON 不是对象：\n" "%1" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "输入生成器（错误）" #: molequeue/inputgeneratordialog.cpp:43 #, qt-format msgid "%1 Input Generator" msgstr "%1 输入生成器" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "继续" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "关闭" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "未知" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" "已修改以下文件：\n" "\n" "%1\n" "\n" "是否覆盖更改以反映新的几何体或作业选项？" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "覆盖修改后的输入文件？" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "输入生成过程中出现问题：" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "没有要保存的输入文件！" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "无法连接到 MoleQueue" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "无法连接到 MoleQueue 服务器。请确保它正在运行，然后重试。" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "提交%1计算" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "作业失败" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 #, fuzzy msgid "The job did not complete successfully." msgstr "作业未成功完成。" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "脚本返回警告：\n" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "隐藏警告(&W)" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "显示警告(&W)" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "发生错误：" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "选择输出文件名" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "内部错误：找不到文件名为 '%1' 的文本小组件" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "输出错误" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "向文件写入失败%1。" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "选择输出目录" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "%1：目录不存在！" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "%1：无法读取目录！" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "%1：文件将被覆盖。" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "%1：文件不可写。" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "由于未知错误，无法写入输入文件。" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" "无法写入输入文件：\n" "\n" "%1" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" "无法写入输入文件：\n" "\n" "%1\n" "\n" "警告：\n" "\n" "%2" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" "警告：\n" "\n" "%1\n" "\n" "你想继续吗？" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "写入输入文件" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "配置作业" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "正在向 MoleQueue 提交作业…" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "作业提交超时" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "Avogadro 等待 MoleQueue 的回复超时。" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "等待工作%1 “%2”运行结束…" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "停止等待" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "正在获取已完成作业信息…" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "作业检索超时" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "Avogadro 从 MoleQueue 获取已完成作业详情超时。" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "提交作业时出错" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "MoleQueue已拒绝作业：%1" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "没有选择程序。" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "请从 \"Queue and Program\" 列表选择目标程序。" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "用户端向 MoleQueue 提交作业失败。" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "网络故障。" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "无法解决程序选择二。这是一个bug。" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "没有在 BackgroundFileFormat 中设置分子！" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "没有在 BackgroundFileFormat 中设置 Io :: FileFormat！" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "没有在 BackgroundFileFormat 中设置文件名！" #: qtgui/containerwidget.cpp:29 #, fuzzy msgid "Split Horizontal" msgstr "左右分屏" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "垂直拆分" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "氢" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "氦" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "锂" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "铍" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "硼" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "碳" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "氮" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "氧" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "氟" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "氖" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "钠" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "镁" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "铝" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "硅" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "磷" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "硫" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "氯" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "氩" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "钾" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "钙" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "钪" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "钛" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "钒" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "铬" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "锰" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "铁" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "钴" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "镍" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "铜" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "锌" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "镓" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "锗" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "砷" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "硒" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "溴" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "氪" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "铷" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "锶" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "钇" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "锆" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "铌" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "钼" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "锝" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "钌" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "铑" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "钯" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "银" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "镉" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "铟" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "锡" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "锑" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "碲" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "碘" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "氙" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "铯" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "钡" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "镧" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "铈" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "镨" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "钕" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "钷" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "钐" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "铕" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "钆" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "铽" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "镝" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "钬" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "铒" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "铥" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "镱" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "镥" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "铪" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "钽" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "钨" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "铼" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "锇" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "铱" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "铂" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "金" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "汞" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "铊" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "铅" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "铋" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "钋" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "砹" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "氡" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "钫" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "镭" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "锕" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "钍" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "镤" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "铀" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "镎" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "钚" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "镅" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "锔" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "锫" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "锎" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "锿" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "镄" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "钔" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "锘" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "铹" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "钅卢" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "钅杜" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "钅喜" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "钅波" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "钅黑" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "鿏" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "𫟼" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "钅仑" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "鎶" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "鉨" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "鈇" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "镆" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "鉝" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "鿬" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "鿫" #: qtgui/filebrowsewidget.cpp:23 msgid "Browse" msgstr "浏览" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "选择文件：" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "选择可执行文件：" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "无法为所选文件找到合适的读取器。" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "文件缺少拓展名，无法确定格式。现在添加拓展名吗？" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "无法为所选文件找到合适的写入器。" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "句柄" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "处理" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "读取器" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "读取" #: qtgui/fileformatdialog.cpp:173 #, fuzzy msgctxt "File writers" msgid "writers" msgstr "写入器" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "写入" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "找到多个可以 %2 该格式的 %1。应当使用哪个？" #: qtgui/fileformatdialog.cpp:279 msgid "All files" msgstr "所有文件" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "所有支持的格式" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "读取分子表示时出错：未识别的文件格式：%1" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "%1 消息" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "写入分子表示时出错：未识别的文件格式：%1" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "写入分子表示时出错：%1" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "缺少 'userOptions' 。" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "选项 '%1' 未指向对象。" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "'type' 不是选项 '%1' 的字符串。" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "找不到选项“%1”。" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "标签页 %1" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "标题" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "基础文件名" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "处理器核心" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "计算类型" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "理论" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "基准" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "电荷" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "多重性" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "错误：值必须为键 '%1' 的对象。" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "无法识别选项 '%2' 的类型 '%1'。" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "设置选项 '%1' 的默认值时发生错误。无效的小组件类型。" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "设置选项 '%1' 的默认值时发生错误。无效的默认值：" #: qtgui/jsonwidget.cpp:652 #, fuzzy, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "设置选项 '%1' 的默认值时发生错误。找不到有效的组合条目索引：" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "选项 '%1' 的 collectOption 中有小组件未处理。" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 msgid "[no molecule]" msgstr "[没有分子]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "图层 %1" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "球棍模型" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "卡通" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "紧密接触" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "晶格" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "偶极矩" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "力" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "标签" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "棍棒" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "网" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "非共价的" #: qtgui/layermodel.cpp:156 #, fuzzy #| msgid "QTAIM" msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM（分子中原子的量子论）" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "对称元素" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "范德华" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "线框" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "无标题" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "创建新视图" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "元素周期表" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "运行脚本 '%1 %2' 时出错：等待启动超时（%3）。" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" "运行脚本 '%1 %2' 时出错：写入 stdin 失败（len=%3，已写入 %4 字节，QProcess 错" "误：%5）。" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "运行脚本 '%1 %2' 时出错：等待完成超时（%3）。" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" "运行脚本 '%1 %2' 时出错：异常的退出状态 %3 （%4：%5）\n" "\n" "输出：\n" "%6" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "警告 '%1'" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "脚本启动失败。" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "脚本崩溃。" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "脚本超时。" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "读取错误。" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "写入错误。" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "未知的错误。" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "修改图层" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "删除图层" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "删除图层信息" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "添加图层" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "添加图层信息" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "更改图层" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "添加原子" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "删除原子" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "清除原子" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "调整氢原子数目" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 msgid "Change Elements" msgstr "更改元素" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "更改元素" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "改变原子杂化" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "改变原子形式电荷" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "更改原子颜色" #: qtgui/rwmolecule.cpp:272 #, fuzzy msgid "Change Atom Layer" msgstr "改变原子杂化" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "添加键" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "已移除的键" #: qtgui/rwmolecule.cpp:321 msgid "Clear Bonds" msgstr "删除键" #: qtgui/rwmolecule.cpp:335 msgid "Set Bond Orders" msgstr "设置键级" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "更改键级" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "更新化学键" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "更新键" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 msgid "Remove Unit Cell" msgstr "移除晶胞" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "编辑晶胞" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "将原子移入晶胞" #: qtgui/rwmolecule.cpp:522 #, fuzzy msgid "Scale Cell Volume" msgstr "比例缩放晶胞体积" #: qtgui/rwmolecule.cpp:542 msgid "Build Super Cell" msgstr "创建超胞" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "Niggli 约化" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "旋转到标准方向" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "约化为原胞" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "惯用胞" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "对称化晶胞" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "填充晶胞" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "约化晶胞为非对称单元" #: qtgui/rwmolecule.h:214 msgid "Change Atom Positions" msgstr "调整原子位置" #: qtgui/rwmolecule.h:224 msgid "Change Atom Position" msgstr "调整原子位置" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "调整原子标签" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "重新选择" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "修改分子" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "设置" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "无法加载脚本 %1" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "正在检查路径 %2 中的 %1 脚本" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "3DMol HTML 块。" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "文件(&F)" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "导出(&E)" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "ThreeDMol" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "构建(&B)" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "元素：" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "对齐" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" "对齐分子\n" "\n" "鼠标左键：选择至多两个原子。\n" "\t第一个原子将被放置于原点。\n" "\t第二个原子将被对齐到选定的坐标轴。\n" "鼠标右键：重置对齐。\n" "鼠标双击：将原子放置在原点。" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "轴：" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "对齐到轴" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "将原子居中置于原点。" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "旋转分子以将原子对齐到选定的坐标轴。" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "对齐工具" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "将分子对齐到一个笛卡尔坐标轴" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "运行 APBS…" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "打开输出文件…" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "输入(&I)" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "&APBS" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "打开输出文件" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "OpenDX 文件 (*.dx)" #: qtplugins/apbs/apbs.cpp:116 msgid "IO Error" msgstr "读写错误" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "读取结构文件 (%1) 时出错。" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "OpenDX 错误" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "读取 OpenDX 文件时出错：%1" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "读取 OpenDX 文件时出错：找不到立方体" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "APBS" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "与 APBS 实用工具交互。" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "打开 PDB 文件" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "PDB 文件 (*.pdb)" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "打开 PQR 文件" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "PQR 文件 (*.pqr)" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "错误" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "运行 APBS 时出错：%1" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "请指定 PDB 文件" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "保存 APBS 输入文件" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "APBS 输入 (*.in)" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 msgid "Success" msgstr "成功" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "输入文件已写入 '%1'" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "自定义颜色…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 msgid "By Element" msgstr "按元素" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "按链" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "部分电荷…" #: qtplugins/applycolors/applycolors.cpp:82 #, fuzzy msgid "By Secondary Structure" msgstr "按二级结构" #: qtplugins/applycolors/applycolors.cpp:87 msgid "By Amino Acid" msgstr "按氨基酸" #: qtplugins/applycolors/applycolors.cpp:92 #, fuzzy msgid "By Shapely Scheme" msgstr "按 Shapely 主题" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "Parula" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "Heat" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "Hot" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "Gray" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "Magma" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "Inferno" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "Plasma" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "Viridis" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "Cividis" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 msgctxt "colormap" msgid "Spectral" msgstr "Spectral" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "Coolwarm" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "Balance" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "Blue-DarkRed" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "Turbo" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "将颜色主题应用于原子和残基。" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "视图(&V)" #: qtplugins/applycolors/applycolors.cpp:152 msgid "Color Atoms" msgstr "原子着色" #: qtplugins/applycolors/applycolors.cpp:154 msgid "Color Residues" msgstr "残基着色" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "选择颜色" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "应用颜色" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "原子尺寸比例" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "键的比例" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "不透明度" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 msgid "Show multiple bonds" msgstr "显示多重键" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 msgid "Show hydrogens" msgstr "显示氢" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "将原子渲染为球体，将键渲染为圆柱体。" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "化学键操纵" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "%L1°" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "%L1 Å" #: qtplugins/bondcentrictool/bondcentrictool.h:169 msgid "Bond centric manipulation tool." msgstr "化学键操作工具。" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "基于键长和键角的分子几何形状修改工具。" #: qtplugins/bonding/bonding.cpp:28 #, fuzzy msgid "Bond Atoms" msgstr "成键原子" #: qtplugins/bonding/bonding.cpp:29 msgid "Perceive Bond Orders" msgstr "检测键级" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "移除化学键" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "配置成键…" #: qtplugins/bonding/bonding.cpp:32 msgid "Bond Selected Atoms" msgstr "让选定的原子成键" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "键" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "将键从所有选中的原子上移除。" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "在所有选中的原子间创建键。" #: qtplugins/bonding/bonding.cpp:75 msgid "Perceive bond orders." msgstr "检测键级。" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "成键" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "执行成键操作。" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "骨架" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "Trace" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "Tube" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "条带" #: qtplugins/cartoons/cartoons.cpp:96 msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "简单卡通" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "卡通" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "Rope" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "展示生物大分子色带/漫画。" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "添加质心" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "添加垂直方向" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "质心" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "添加中心点和质心。" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr " Å" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 msgid "Maximum distance:" msgstr "最大距离：" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "线条宽度：" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "渲染原子间的紧密接触。" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "接触" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "盐桥" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "排斥作用" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "编辑颜色透明度图…" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "扩展(&E)" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "颜色透明度图" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "编辑颜色透明度图，主要用于体积渲染。" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 msgid "Scripts" msgstr "脚本(&S)" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" "读取输出文件'%1'时出错：\n" "%2" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "正在处理 %1" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "设置 Python 解释器路径：" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "选择用以运行外部脚本的 Python 解释器。\n" "更改将在 Avogadro 重启后生效。" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "命令脚本" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "运行外部指令和脚本" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "Python 设置…" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "安装 Python" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "许多 Avogadro 功能都使用 Python。您希望现在下载 Python 吗？" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "配置 Python" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "配置 Python 环境。" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "其它…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "原子和坐标编辑器(&C)…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 msgid "Coordinate editor" msgstr "坐标编辑器" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "原子坐标的文本编辑。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "覆盖更改？" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 #, fuzzy msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "文本文档已被修改。希望撤销更改并回退到当前分子吗？" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "行中项目过少。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "无效的元素名称。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 msgid "Element name." msgstr "元素名称。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "无效的元素符号。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 msgid "Element symbol." msgstr "元素符号。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "无效的原子标签。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "无效的原子编号。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 msgid "Atomic index." msgstr "原子编号。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "无效的原子序数。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 msgid "Atomic number." msgstr "原子序数。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "无效的坐标。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 msgid "X coordinate." msgstr "X 坐标。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 msgid "Y coordinate." msgstr "Y 坐标。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 msgid "Z coordinate." msgstr "Z 坐标。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "'a' 晶格坐标。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "'b' 晶格坐标。" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "c轴晶格坐标" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "应用几何形状时出错" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" "无法解析几何规格。请在修复高亮显示的错误后重试。\n" "\n" "（提示：将鼠标悬停在红色文本上以查看错误描述。）" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "修改原子坐标" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "自定义" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "XYZ 格式 （符号）" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "XYZ 格式 （名称）" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "XYZ 格式 （原子序数）" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "晶格坐标 （符号）" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "晶格坐标 （名称）" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "晶格坐标 （原子序数）" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "GAMESS 格式 （符号）" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "GAMESS 格式 （名称）" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 msgid "Turbomole format" msgstr "Turbomole 格式" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 msgid "Copy" msgstr "复制" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 msgid "SMILES" msgstr "SMILES" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "国际化合物标识" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "剪切" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 msgid "Clear" msgstr "清除" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "粘贴(&P)" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "编辑(&E)" #: qtplugins/copypaste/copypaste.cpp:81 msgid "Copy As" msgstr "复制为" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "错误剪切分子" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "生成剪贴板数据时出错。" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" "输出格式： %1\n" "%2" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" "读取器错误：\n" "%1" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "错误粘贴分子" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "无法粘贴分子。剪贴板为空！" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "读取剪贴板数据错误。" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" "检测到的格式： %1\n" "%2" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "复制粘贴" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "与剪贴板交互。" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "&CP2K…" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "CP2K 输入" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "为 CP2K 生成输入。" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "能量" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "能量和力" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "分子动力学" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 msgid "Geometry Optimization" msgstr "几何优化" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "电子结构方法（DFT）" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 msgid "Molecular Mechanics" msgstr "分子力学" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "杂交量子经典方法 （尚不支持）" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "EWALD" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "NONE" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "PME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "SPME" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "原子的" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "CORE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "DENSITIES" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "HISTORY_RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "MOPAC" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "RANDOM" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "RESTART" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "SPARSE" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "BROYDEN" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 #, fuzzy msgid "Conjugate Gradients" msgstr "共轭梯度法" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "DIIS" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 #, fuzzy msgid "Steepest descent" msgstr "最速下降法" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "输入文件已被修改。希望覆盖您的更改以反映新的几何形状或作业选项吗？" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "覆盖修改后的输入文件？" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "保存 CP2K 输入文件" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "提交 CP2K 计算" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "从剪贴板导入晶体…" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "切换晶胞" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "编辑晶胞…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "将原子移动到晶胞中(&W)" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "旋转到标准方向(&O)" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "缩放晶胞体积(&V)…" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "构建超晶胞(&S)…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "约化晶胞 (&Niggli)" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "&Crystal" msgstr "晶体(&C)" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "移除晶胞(&U)" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "添加晶胞(&U)" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "从剪贴板导入晶体" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "将原子移动到晶胞内。" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "旋转晶胞到标准方向。" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "Niggli 约化晶体" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "晶胞已被约化。" #: qtplugins/crystal/crystal.h:25 msgid "Crystal" msgstr "晶体" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "晶体编辑/分析工具。" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "线条颜色：" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "渲染晶胞边界。" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "无法解析文本" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "无法使用提供的格式读取文件。" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "没有晶胞。" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "重新指定自定义元素…" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "在当前分子中操作自定义元素类型。" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "自定义元素" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "绘制" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "绘制原子" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "更改化学键类型" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "移除化学键" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "距离：" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "%1 %L2" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "编辑器工具" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "自动化" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "单键" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "双键" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "三键" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "导入(&I)" #: qtplugins/fetchpdb/fetchpdb.cpp:61 msgid "Fetch PDB" msgstr "从 PDB 获取" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "无法读取 PDB 分子：%1" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "PDB编号" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "下载化学结构。" #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "无效的PDB编号" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "PDB编号必须为四个字符。" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "PDB编号的第一个字符必须为1-9。" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "正在查询 %1" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "网络下载失败" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "网络超时或发生其它错误。" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "特定的分子没有找到: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 msgid "Fetch from PDB" msgstr "从 PDB 获取" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "从 Protein Data Bank 下载 PDB 模型" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "未聚焦" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "聚焦" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "将视图聚焦于特定特征。" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "为分子中的原子渲染力场可视化。" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 msgid "Optimize Geometry" msgstr "优化几何结构" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "相互作用" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "建立力场…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "固定选择的原子" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "释放所选择的原子" #: qtplugins/forcefield/forcefield.cpp:154 msgid "&Calculate" msgstr "计算(&C)" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, qt-format msgid "%1 Energy = %L2" msgstr "%1 能量 = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "%1 力的范数 = %L2" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield optimization" msgstr "力场优化" #: qtplugins/forcefield/forcefield.h:50 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" msgstr "力场优化" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "自动检测 (%1)" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "通用力场" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "广义 Amber 力场" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "Merck 分子力场 94" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "检索能量脚本的元数据时出错： %1" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "解析能量脚本的元数据时出错： %1" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" "解析能量脚本的元数据时出错： %1\n" "结果不是 JSON 对象。\n" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "&GAMESS…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "GAMESS输入" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "生成 GAMESS 输入。" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "单点能" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "平衡态几何体" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "过渡态" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "频率" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "核心势" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "气体" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "水" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "单线态" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "双线态" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "三线态" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "双阳离子" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "阳离子" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "中性" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "阴离子" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "二价阴离子" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "保存 GAMESS 输入文件" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "提交 GAMESS 计算" #: qtplugins/hydrogens/hydrogens.cpp:21 msgid "&Adjust Hydrogens" msgstr "调整氢原子数目(&A)" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "添加氢原子" #: qtplugins/hydrogens/hydrogens.cpp:32 msgid "Remove E&xtra Hydrogens" msgstr "删除多余的氢原子(&x)" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "移除所有氢原子(&R)" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "在当前分子上添加/移除氢。" #: qtplugins/hydrogens/hydrogens.cpp:59 msgid "&Hydrogens" msgstr "氢原子(&H)" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "氢" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "搜索 PQR(&S)…" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "从 PQR 导入" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "从 PQR 下载分子。" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "插入(&I)" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "插入 DNA/RNA…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "U" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "尿嘧啶" #: qtplugins/insertdna/insertdna.cpp:166 #, fuzzy #| msgid "T" msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "胸腺嘧啶" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "插入分子…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "正在生成 3D 分子…" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy #| msgid "Insert DNA" msgid "InsertDNA" msgstr "插入 DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "通过对话框插入 DNA / RNA 片段。" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "分子…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "晶体…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "读取文件时出错 （%1）。" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "导入晶体结构" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "插入片段" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "插入片段" #: qtplugins/insertfragment/insertfragment.h:60 msgid "Insert molecular fragments for building larger molecules." msgstr "插入分子片段以构建更大的分子。" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "颜色:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "与中心的距离：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "无" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "原子编号" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "唯一D" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "元素" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "元素与编号" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "元素 & ID" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 msgid "Atom Label:" msgstr "原子标签:" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "ID" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "名称" #: qtplugins/label/label.cpp:236 #, fuzzy msgid " & " msgstr " & " #: qtplugins/label/label.cpp:248 msgid "Residue Label:" msgstr "残基标签：" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "在球棍模型上展示标签。" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "编辑标签" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "创建标签" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "标签编辑工具" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "&LAMMPS…" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "LAMMPS 输入" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "生成 LAMMMPS 输入文件。" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "您是否希望更新预览文本，所有在Lammps输入预览面板中所做的修改都将丢失？" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "不透明度：" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "将原子渲染为棍棒模型。" #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "SMILES…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "InChI…" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 #, fuzzy msgid "No descriptors found!" msgstr "未找到描述符！" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "未找到行格式读取器！" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "无法加载所请求格式的读取器。" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "LineFormatInput" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "通过输入对话框加载单行分子描述符。" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "操纵" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "操作工具" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "测量" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "二面体：" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "角度：" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "角度：" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "渲染多边形网格。" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(待定)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 #, fuzzy msgid "unknown molecule" msgstr "不明分子" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "分子的(&M)…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "查看分子的一般属性。" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 msgid "&Analysis" msgstr "分析(&A)" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "属性(&P)" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "分子属性" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "分子属性" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 msgid "Export CSV" msgstr "导出" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV 文件 (*.csv);;所有文件 (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 #, fuzzy #| msgid "Could not open file '%1' for writing." msgid "Could not open the file for writing." msgstr "无法打开文件 '%1' 并写入。" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "写入文件时出错。" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "导出…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "导航" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "绕 x/y/z 轴旋转场景。" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "缩放场景。" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "移动场景(&T)..." #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "滚动时反向缩放" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" "默认：向下滚动以缩小，向上滚动以放大\n" "反向：向上滚动以缩小，向下滚动以放大" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "导航工具" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "化学名称" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "网络数据库" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "与在线数据库交互，如查询结构等。" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "渲染一些非共价相互作用。" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "氧族元素" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "配置力场…" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "搜索构象异构体…" #: qtplugins/openbabel/openbabel.cpp:65 #, fuzzy msgid "Perceive Bonds" msgstr "检测化学键" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "添加特定 pH 下的氢原子…" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "删除氢原子" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "未找到 %1！正在禁用 Open Babel 插件操作。" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "&Open Babel" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "Open Babel 文件格式尚未准备好被添加。" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "正在从 Open Babel 载入分子…" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" "出现内部错误：OpenBabel:: 已调用 readMolecule，但没有可用于解析的输出！" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "运行 Open Babel （%1） 时发生错误。" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "解析 openbabel 输出时出错。" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "检索受支持的力场列表时出错。 (using '%1')." #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "无效的分子。无法优化几何形状。" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "无法通过 Open Babel 优化几何结构。" #: qtplugins/openbabel/openbabel.cpp:466 msgid "Optimizing Geometry (Open Babel)" msgstr "优化几何结构 (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "生成中…" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "生成当前分子的 Open Babel 表示时发生内部错误。" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "启动 %1…" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" "步骤 %1 共%2\n" "当前的能量： %3\n" "dE： %4" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "正在更新分子…" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "解释 Open Babel 输出时出错。" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "obabel 输出中的原子数 （%1） 与原始分子中的原子数 （%2） 不匹配。" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "无效的分子。无法生成构象异构体。" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "无法通过 Open Babel 生成构象异构体。" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "生成构象异构体 (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "无法通过 Open Babel 打开文件。" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "无效的分子：无法检测化学键。" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "检测成键 (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "正在生成 XYZ 表示文件…" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "生成 XYZ 字符串时出错。" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "正在使用 %1 将 XYZ 转换为 Open Babel…" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "正在从 Open Babel 更新分子…" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "无法通过 Open Babel 添加氢。" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "添加氢原子 (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "正在生成 Open Babel 输入文件…" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "生成 Open Babel 输入时出错。" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "正在运行 %1…" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "添加特定pH下的氢原子" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH值：" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "正在生成 obabel 输入文件…" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "无法通过 Open Babel 移除氢。" #: qtplugins/openbabel/openbabel.cpp:919 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "删除氢原子 (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "正在读取 obabel 输出…" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "Open Babel 正在运行。请等待其他操作完成后再重试。" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "OpenBabel" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "与 OpenBabel 实用工具交互。" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "&OpenMM 脚本…" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "OpenMM 输入" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "生成 OpenMM 输入。" #: qtplugins/openmminput/openmminputdialog.cpp:201 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" "您是否希望更新预览文本，并丢失所有在OpenMM输入卡片预览面板中所做的修改？" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "inpcrd" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "gro" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "input.prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "input.top" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "pdb" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "prmtop" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "top" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "True" #: qtplugins/overlayaxes/overlayaxes.cpp:237 #, fuzzy msgid "Reference Axes" msgstr "参考轴" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "参考轴叠加" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "在角落渲染参考轴。" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "播放器" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "播放" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "停止" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "帧率：" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr " FPS" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "帧：" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr " 共 %0" #: qtplugins/playertool/playertool.cpp:136 #, fuzzy msgid "Dynamic bonding?" msgstr "动态绑定？" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "录制视频…" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "视频 (*.mp4)" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "导出位图图形" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "视频 (*.mp4);;视频 (*.avi);;动图 (*.gif)" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "动图 (*.gif)" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "GIF 帧率支持警告" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "GIF 文件格式不支持 100 FPS 以上的帧率。" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "视频文件 (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "错误：无法向视频中添加帧。" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "无法保存文件 %1。" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "播放器工具" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "轨迹重放" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "绘制径向分布函数…" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "生成对分布函数图样时失败" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "错误消息： " #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "PlotPdf" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "生成并绘制对分布函数曲线。" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "绘制 RMSD 曲线…" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "PlotRmsd" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "生成并绘制 RMSD 曲线。" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "绘制理论预测 XRD 图样…" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "生成 XRD 图样失败" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "将分子转换为 CIF 格式失败。" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "从 genXrdPattern 读取的数据似乎被污染了！" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "错误：找不到 getXrdPattern 可执行文件！" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "错误： " #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "PlotXrd" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "使用 ObjCryst++ 生成并绘制理论 XRD 图样。" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "升级" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "版本" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "描述" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" "此插件需要安装特定依赖包。\n" "是否安装？" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "总是" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "从不" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "正在下载 %1 到 %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "正在提取 %1 到 %2\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "已完成 %1 份文件\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "提取成功\n" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "提取时出错：%1" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "下载插件…" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "下载插件" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "从 Github 仓库下载插件。" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY 渲染…" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 #, fuzzy msgid "Save File" msgstr "保存文件" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "PLY (*.ply);;文本文件 (*.txt)" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "PLY" #: qtplugins/ply/ply.h:29 #, fuzzy #| msgid "Render the scene using VRML." msgid "Render the scene using PLY." msgstr "使用 PLY 渲染场景。" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray 渲染…" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "POV-Ray (*.pov);;文本文件 (*.txt)" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "POVRay" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "使用 POV-Ray 渲染场景。" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "化合价" #: qtplugins/propertytables/propertymodel.cpp:503 msgid "Formal Charge" msgstr "形式电荷" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "X (Å)" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "Y (Å)" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "Z (Å)" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 msgid "Color" msgstr "颜色" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "原子" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "类型" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "起始原子" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "结束原子" #: qtplugins/propertytables/propertymodel.cpp:535 msgid "Bond Order" msgstr "键级" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "长度 (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "链" #: qtplugins/propertytables/propertymodel.cpp:556 #, fuzzy msgid "Secondary Structure" msgstr "二级结构" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "原子 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "顶点" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "原子 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "键角 (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "原子 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "原子 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "π螺旋" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "弯曲" #: qtplugins/propertytables/propertymodel.cpp:937 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "α螺旋" #: qtplugins/propertytables/propertymodel.cpp:939 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "β表格" #: qtplugins/propertytables/propertymodel.cpp:941 msgctxt "3-10 helix" msgid "3-10 helix" msgstr "310 螺旋" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "β 桥" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "转角" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "卷曲" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "原子属性…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "键属性…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "键角属性…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "扭转属性…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "残基属性…" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "用于显示原子、化学键、键角和扭矩属性的窗口。" #: qtplugins/propertytables/propertytables.h:29 #, fuzzy msgid "PropertyTables" msgstr "属性" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "原子属性" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "键属性" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "键角属性" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "扭转属性" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "构象异构体属性" #: qtplugins/propertytables/propertyview.cpp:59 #, fuzzy msgid "Residue Properties" msgstr "残基属性" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM（分子中原子的量子论）" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "使用 QTAIM 特性渲染原胞" #: qtplugins/qtaim/qtaimextension.cpp:41 msgid "Molecular Graph…" msgstr "分子图像…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "带有孤对电子的分子图像…" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "原子电荷…" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "打开 WFN 文件" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN 文件 (*.wfn);;所有文件 (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM 拓展" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "量子输入" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "生成量子代码的输入。" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "居中" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "对齐视角到坐标轴" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "对齐视角到坐标轴。" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "重置" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "操作视图相机。" #: qtplugins/scriptcharges/scriptcharges.h:32 #, fuzzy #| msgid "Charge:" msgid "Script Charge Models" msgstr "脚本电荷模型" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "从外部脚本加载静电模型。" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "脚本文件格式" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "从外部脚本加载文本读取器/写入器。" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "全选" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "全不选" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "反转选择" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "按元素选择…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "按原子编号选择…" #: qtplugins/select/select.cpp:63 msgid "Select by Residue…" msgstr "按残基选择…" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "选择骨架原子…" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "选择侧链原子…" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "以选中内容创建新图层" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "更改选择" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "选择(&S)" #: qtplugins/select/select.cpp:180 msgid "Select Element" msgstr "" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "按原子编号选择" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "要选择的原子：" #: qtplugins/select/select.cpp:446 msgid "Select Atom" msgstr "" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "按残基选择原子" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "要选择的残基：" #: qtplugins/select/select.cpp:491 msgid "Select Residue" msgstr "选择残基" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 msgid "Select" msgstr "选择" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "选择" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "绘制原子" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "选择工具" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "检测空间群…" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "对称" #: qtplugins/spacegroup/spacegroup.cpp:73 msgid "Fill Unit Cell…" msgstr "寻找晶胞…" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "约化为非对称单元" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "设置容差…" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "空间群" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "按照晶体空间群填充对称原子。" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "检测空间群" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" "空间群已经设定为： %1 。\n" "是否覆盖设置？" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "失败" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" "空间群感知失败。\n" "是否以不同的容差值重试？" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "原胞约化" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" "当前的容差值为：%1。\n" "是否以该值继续进行？" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "原胞约化失败。\n" "请检查晶体结构，并使用不同的容差重试。" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "晶胞转换为惯用胞失败。\n" "请检查晶体结构，并使用不同的容差重试。" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" "对称化失败。\n" "请检查晶体结构，并使用不同的容差重试。" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "选择 Å 为单位的容差：" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "国际化" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "霍尔" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "赫尔曼-莫甘" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "选择空间群" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "空间群" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "晶体的空间群特征。" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "绘制光谱…" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgid "Spectra" msgid "Spectra" msgstr "光谱" #: qtplugins/spectra/spectra.h:38 #, fuzzy #| msgid "Display spectra and vibrational modes." msgid "Display spectra plots." msgstr "显示光谱。" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "红外" #: qtplugins/spectra/spectradialog.cpp:440 msgid "Raman" msgstr "拉曼" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 #, fuzzy #| msgid "Electron Density" msgid "Electronic" msgstr "电子" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "圆二色性" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 msgid "Density of States" msgstr "" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "选择导入的光谱颜色" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 msgid "Vibrational Spectra" msgstr "振动光谱" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 #, fuzzy #| msgid "Wavenumber (cm-1)" msgid "Wavenumbers (cm⁻¹)" msgstr "波数 (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 #, fuzzy #| msgid "Import Spectra" msgid "Raman Spectra" msgstr "拉曼光谱" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "" #: qtplugins/spectra/spectradialog.cpp:613 #, fuzzy #| msgid "Spectra" msgid "NMR Spectra" msgstr "NMR光谱" #: qtplugins/spectra/spectradialog.cpp:614 #, fuzzy #| msgid "Shift (ppm)" msgid "Chemical Shift (ppm)" msgstr "位移 (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 #, fuzzy #| msgid "Electron Density" msgid "Electronic Spectra" msgstr "电子光谱" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 #, fuzzy #| msgid "Energy" msgid "Energy (eV)" msgstr "能量 (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "圆二色光谱" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "对称" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "溶剂可用" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "排除溶剂" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "分子轨道" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "电子密度" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "分子轨道 %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "从文件" #: qtplugins/surfaces/surfaces.cpp:84 msgid "Create Surfaces…" msgstr "创建表面…" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "按 van der Waals 界面渲染原子。" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 msgid "Render a molecular orbital." msgstr "渲染分子轨道。" #: qtplugins/surfaces/surfaces.cpp:122 msgid "Render the electron density." msgstr "渲染电子密度。" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "渲染文件提供的立方体。" #: qtplugins/surfaces/surfaces.cpp:586 #, fuzzy msgid "Calculating electron density" msgstr "计算电子密度" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "计算分子轨道%L1" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "电影 AVI (*.avi)" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "导出视频" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "电影 MP4 (*.mp4);;电影 AVI (*.avi);;GIF (*.gif)" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "表面" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "读取并渲染表面。" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "&SVG…" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "SVG (*.svg)" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "将场景渲染到 SVG 文件。" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "类" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "对称性…" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "提供对称功能。" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "渲染对称元素。" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "∞" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, fuzzy, qt-format msgid "Group %1" msgstr "群组%1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "%1 %2" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "模板" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "VdW 球的简化显示。" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "振动模式…" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "显示振动模式对话框。" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "设置振幅。" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "开始振动动画演示。" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "停止振动动画演示。" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "振动" #: qtplugins/vibrations/vibrations.h:37 #, fuzzy #| msgid "Display spectra and vibrational modes." msgid "Display vibrational modes." msgstr "显示振动模式。" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "VRML 渲染…" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "VRML (*.wrl);;文本文件 (*.txt)" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "VRML" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "使用 VRML 渲染场景。" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "将分子渲染为线框。" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "计算键结构…" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "&Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "无法计算能带结构：没有晶胞！" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" "Yaehmop执行错误：\n" "%1" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "未能读取Yaehmop能带结构输出！" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "在Yaehmop输出中仅发现一个特殊k点！需要两个或以上！" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "费米能级" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "无法找到Yaehmop" #: qtplugins/yaehmop/yaehmop.cpp:544 #, qt-format msgid "Error: %1 failed to start" msgstr "错误：%1 启动失败" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "Yaehmop输入" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "Yaehmop" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "使用Yaehmop进行扩展Hückel方法计算。" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "对话" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "表单" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "计算设置" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "占位符文本…" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "重置" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "调试脚本…" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "提交计算…" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "保存输入…" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "队列与程序：" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "刷新" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "

      为该作业保留的处理器内核数。

      " #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "处理器内核：" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" "

      作业完成时移除工作文件。结果仍将首先被复制到本地 " "MoleQueue 作业缓存。

      " #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "在完成时删除远程文件：" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" "

      勾选以默认阻止该作业出现在 MoleQueue GUI 界面中。

      " #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "在 MoleQueue 中隐藏作业：" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" "

      当作业状态变更时，显示系统弹窗提醒。

      " #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "显示进度提醒：" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "完成时打开输出文件：" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "重命名元素" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) msgid "Insert Fragment…" msgstr "插入片段…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "筛选：" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "键入名称或部分名称以显示相应文件。" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "插入" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "3DMol HTML 代码段" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "复制到剪贴板(&C)" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "Ctrl+C" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "结构输入文件" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "从 PDB 生成输入文件" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "PDB 文件：" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "力场:" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "AMBER" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "CHARMM" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "PARSE" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "TYL06" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "PEOEPB" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "SWANSON" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "运行 PDB2PQR" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "加载现有的 PQR 文件" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "PQR 文件：" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "APBS 输入文件" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "保存输入文件" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "运行 APBS" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "完成!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) #, fuzzy msgid "Load Structure File" msgstr "加载结构文件" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) #, fuzzy msgid "Load Cube File" msgstr "加载多维数据集文件" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial charge" msgid "Partial Charges" msgstr "部分电荷" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) #, fuzzy #| msgid "Charge:" msgid "Charge Model:" msgstr "电荷模型:" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "距离容差：" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "最小距离：" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "体渲染" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "启用体渲染" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "启用表面渲染" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" "仅有conda “base”环境。\n" "是否为Avogadro创建新环境？\n" "这将会生成你base环境的副本。\n" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "环境名称：" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "avogadro" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" "选择运行脚本的Python版本。\n" "Avogadro必须重启以生效。" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "环境：" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "坐标编辑器" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "预设：" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "距离单位：" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "埃" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "玻尔" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "格式：" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "帮助…" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "粘贴" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "撤销" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "应用" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "CP2K 输入" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "全部重置" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "默认" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save File…" msgstr "保存文件…" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "基本设置(&B)" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "标题:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "基础文件名：" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "作业" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "计算：" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "方式：" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "Open Babel 转换的文件拓展名 （默认 - Avogadro::POSCAR）：" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "超晶胞参数" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "超晶胞选项" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A 重复:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B 重复:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C 重复:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "晶胞编辑器" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "α：" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "β：" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "γ：" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "晶胞点阵：" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "分数阶矩阵：" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "转换原子(&T)" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "应用(&A)" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "撤销(&R)" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "隐藏(&H)" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "比例缩放晶胞体积" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "新建体积(&V)：" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "比例因子(&S)：" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "当前体积：" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "文本标签" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "键级：" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "几何形状优化参数" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "收敛判据" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "“能量”收敛：" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "步限制：" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "10^" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr " 步骤" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "优化方法" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "力场：" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "自动检测" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS输入" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "输入：" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "多重性：" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "为：" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "电荷:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "从 PQR 导入…" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "搜索" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "名称" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "标签" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "同义词" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "化学式" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "inchi" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "搜索： " #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "化学式：" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "下载" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "名称：" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) #, fuzzy #| msgid "Insert DNA" msgid "Insert Nucleic Acids" msgstr "插入核酸" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "DNA/RNA 构建器" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Nucleic Acids:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy #| msgid "G" msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy #| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "序列:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other" msgid "Other" msgstr "其它" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "单键" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "双键" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "LAMMPS 输入" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "选择模拟中使用的单位格式。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "si" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "电子" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "电荷" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "分子" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "指定坐标文件的名称。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "温度" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "模拟中写入的XYZ文件名称。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "系统维度数。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "更改 Z 边界样式。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "更改 Y 边界样式。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "更改 X 边界样式。" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "使用表单" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "生成…" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "描述符：" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "翻译者：" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Origin" msgstr "原点" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "搜索构象异构体" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "算法" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Number of conformers:" msgstr "构象异构体数量：" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "系统性旋转搜索" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "随机旋转搜索" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "权重旋转搜索" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "优化算法：" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "线搜索方法：" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "最速下降法" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "共轭梯度法" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "普通" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "牛顿法" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "限制非成键相互作用" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "范德华截止距离：" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "配对更新频率：" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "静电作用截止距离：" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "Å" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "“能量”收敛：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "力场:" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "参考" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "单键" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "双键" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "Ewald 容差：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) msgid "Constraints:" msgstr "约束条件：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "约束容差：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "错误容差：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Wavelength:" msgstr "波长：" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "恒定大小" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Width:" msgid "Peak Width:" msgstr "宽度：" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) msgid "Peak Threshold:" msgstr "峰阈值：" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "外观(&A)" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "显示" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "导入一个实验光谱的tsv文件以覆盖当前绘图。" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "导入(&I)…" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "设置颜色..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "导入光谱:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "导出(&E)…" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "背景:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Calculated Spectra:" msgstr "计算所得光谱：" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "字体大小：" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy #| msgid "10e-" msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "导出数据" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "关闭(&C)" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "选项(&O)…" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "控制:\n" "双击左键: 恢复默认坐标轴范围\n" "右击+拖动: 移动绘图\n" "中击+拖动: 缩放到区域\n" "滚轮: 按光标缩放" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "载入数据(&L)…" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "低" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "中" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "高" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "创建表面" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Surface:" msgstr "表面：" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "着色按:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy #| msgctxt "Electrostatic potential surface type" #| msgid "Electrostatic Potential" msgid "Electrostatic Potential" msgstr "静电势" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "分辨率：" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "等值面值：" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "平滑：" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "明亮" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "计算" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "分子" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "锁定对称" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "对称元素：" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "容差：" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "紧密" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "正常" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "宽松" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "检测对称" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) #, fuzzy #| msgid "Center" msgid "Centers" msgstr "居中" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) msgid "Formal Charge:" msgstr "形式电荷：" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "坐标：" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) msgid "Type:" msgstr "类型：" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "从剪贴板" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "群组" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Group:" msgstr "群组：" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) msgid "Start Animation" msgstr "开始动画" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) msgid "Stop Animation" msgstr "停止动画" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" "

      周期维度数


      若设置为 1，材料将仅在晶体" "的 A 轴方向上周期拓展，


      若设置为 2，材料将同时在晶体的 A " "轴、B 轴方向上周期拓展，


      若设置为 3，材料将同时在晶体的 A " "轴、B 轴、C 轴方向上周期拓展。


      " #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "维度数：" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" "Launchpad Contributions: Ann J,Avogadro Team,Chen Siqiong,Chen Yang,Chiyu " "Liang,Colin Zhao,David Gao,Feng Chao,MarkWu,Tao Wei,Wylmer Wang,Xinfeng,Ye " "Qing,ZhangCheng,cuiweicui,tmpplus,yjjart,郑思涵,英华,张腾烁" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" "cuiweicui1985@gmail.com,rainofchaos@gmail.com,yjjart@gmail.com," "sihanzheng@gmail.com,weitao1979@gmail.com,wantinghard@gmail.com,avogadro-" "devel@lists.sourceforge.net,chensiqiong@126.com,frankensteinyang@gmail.com," "chaofeng111@gmail.com,allen19920930@gmail.com,skyxxzc@gmail.com," "sihanzheng@gmail.com,cyliang532@gmail.com,zhangtengshuo@gmail.com" #~ msgid "eV" #~ msgstr "eV" #~ msgid "eV)" #~ msgstr "eV)" #, fuzzy #~| msgid "Partial charge" #~ msgid "Partial Charge" #~ msgstr "部分电荷" #~ msgid "" #~ "Bond Centric Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ "Double-Click: \tReset the view.\n" #~ "\n" #~ "Left Click & Drag on a Bond to set the Manipulation Plane:\n" #~ "Left Click & Drag one of the Atoms in the Bond to change the angle\n" #~ "Right Click & Drag one of the Atoms in the Bond to change the length" #~ msgstr "" #~ "化学键操作工具\n" #~ "\n" #~ "鼠标左键：按下并拖动以旋转视图。\n" #~ "鼠标中键：按下并拖动以缩放。\n" #~ "鼠标右键：按下并拖动以移动视图。\n" #~ "双击：重设视图。\n" #~ "\n" #~ "鼠标左键 & 在化学键上拖动以设置操作平面：\n" #~ "鼠标左键 & 在成键原子上拖动以改变键角\n" #~ "鼠标右键 & 在成键原子上拖动以改变键长" #~ msgid "" #~ "Draw Tool\n" #~ "\n" #~ "Left Mouse: \tClick and Drag to create Atoms and Bond\n" #~ "Right Mouse: \tDelete Atom" #~ msgstr "" #~ "绘制工具\n" #~ "\n" #~ "鼠标左键：按下并拖动以创建原子和化学键\n" #~ "鼠标右键：删除原子" #~ msgid "" #~ "Atom Label Tool\n" #~ "\n" #~ "Left Mouse: \tClick on Atoms to add Custom Labels" #~ msgstr "" #~ "原子标签工具\n" #~ "\n" #~ "鼠标左键：在原子上点击以添加自定义标签" #~ msgid "" #~ "Measure Tool\n" #~ "\n" #~ "Left Mouse: \tSelect up to four Atoms.\n" #~ "\tDistances are measured between 1-2 and 2-3\n" #~ "\tAngle is measured between 1-3 using 2 as the common point\n" #~ "\tDihedral is measured between 1-2-3-4\n" #~ "Right Mouse: \tReset the measurements." #~ msgstr "" #~ "测量工具\n" #~ "\n" #~ "鼠标左键：选择至多四个原子。\n" #~ "\t将测量原子1-2和原子2-3之间的距离\n" #~ "\t将角度原子1-3的角度，以2号原子为顶点\n" #~ "\t将按1-2-3-4的顺序测定二面角\n" #~ "鼠标右键: \t重置测量。" #~ msgid "" #~ "Navigation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to rotate the view.\n" #~ "Middle Mouse: \tClick and drag to zoom in or out.\n" #~ "Right Mouse: \tClick and drag to move the view.\n" #~ msgstr "" #~ "导航工具\n" #~ "\n" #~ "鼠标左键：点击并拖动以旋转视角。\n" #~ "鼠标中键：点击并拖动以缩放。\n" #~ "鼠标右键：点击并拖动以移动视角。\n" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "动画" #~ msgid "" #~ "Selection Tool\n" #~ "\n" #~ "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" #~ "\tDrag to select a range of atoms\n" #~ "Right Mouse: \tClick outside the molecule to clear selection\n" #~ "Use Ctrl to toggle the selection and shift to add to the selection.\n" #~ "Double-Click: \tSelect an entire fragment." #~ msgstr "" #~ "选择工具\n" #~ "\n" #~ "鼠标左键：单击以选中单个原子、残基或片段\n" #~ "\t拖动以选择一定范围内的原子\n" #~ "鼠标右键：分子外单击以清除选中内容\n" #~ "使用 Ctrl 选中/取消选中，使用 Shift 添加到选区。\n" #~ "双击：选择整个片段。" #~ msgid "" #~ "Template Tool\n" #~ "\n" #~ "Insert fragments, including metal centers.\n" #~ "Select an element and coordination geometry,then click to insert a " #~ "fragment.\n" #~ "\n" #~ "Select a ligand or functional group and clickon a hydrogen atom to attach " #~ "it." #~ msgstr "" #~ "模板工具\n" #~ "\n" #~ "插入片段，包括金属中心。\n" #~ "选择元素和配位结构，然后点击以插入一个片段。\n" #~ "\n" #~ "选择一个配体或官能团，然后在氢原子上点击以附加。" #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "Van der Waals（范德华）" #~ msgid "" #~ "Manipulation Tool\n" #~ "\n" #~ "Left Mouse: \tClick and drag to move atoms\n" #~ "Right Mouse: \tClick and drag to rotate selected atoms.\n" #~ msgstr "" #~ "操作工具\n" #~ "\n" #~ "鼠标左键：点击并拖动以移动原子\n" #~ "鼠标右键：点击并拖动以旋转选中的原子。\n" #~ msgid "Simple display of VdW spheres with ambient occlusion." #~ msgstr "带环境光遮挡的 VdW 球的简化显示。" #~ msgid "Geometry" #~ msgstr "几何结构" #~ msgid "Add Unit Cell" #~ msgstr "添加晶胞" #~ msgid "By Atomic Index" #~ msgstr "原子编号" #~ msgid "By Distance" #~ msgstr "按距离" #~ msgid "Select Water…" #~ msgstr "选择水…" #~ msgid "&Copy" #~ msgstr "复制(&C)" #, fuzzy #~| msgid "Molecule Charge:" #~ msgid "Molecule Name:" #~ msgstr "分子电荷:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "分子量 (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "化学方程:" #~ msgid "Number of Atoms:" #~ msgstr "原子的数量:" #~ msgid "Number of Bonds:" #~ msgstr "化学键的数量:" #~ msgid "TODO" #~ msgstr "TODO" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "跳转尺度:" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "优化" #~ msgid "In." #~ msgstr "输入。" #~ msgid "El." #~ msgstr "元素名" #~ msgid "El.&No." #~ msgstr "元素与编号" #~ msgid ", " #~ msgstr ", " #~ msgid "ABPS Input (*.in)" #~ msgstr "APBS 输入文件 (*.in)" #~ msgid "" #~ "Select the python interpreter used to run input generator scripts.\n" #~ "Avogadro must be restarted for any changes to take effect." #~ msgstr "" #~ "选择用以运行输入文件生成脚本的 Python 解释器。\n" #~ "更改将在 Avogadro 重启后生效。" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "片段..." #~ msgid "Submit Calculation..." #~ msgstr "提交计算..." #~ msgid "Other..." #~ msgstr "其它..." #~ msgid "Filename" #~ msgstr "文件名" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "加载结构文件" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "导航" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "导航" #~ msgid "OK" #~ msgstr "确定" #~ msgid "Cancel" #~ msgstr "取消" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "元素名称。" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "所有文件 (*);;" #, fuzzy #~| msgid "Dihedral:" #~ msgid "octahedral" #~ msgstr "二面体：" #, fuzzy #~| msgid "Insert Molecule..." #~ msgid "Insert Molecule..." #~ msgstr "插入分子..." #, fuzzy #~| msgid "Error Pasting Molecule" #~ msgid "Generating 3D molecule..." #~ msgstr "错误粘贴分子" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS" #, fuzzy #~ msgid "Crystal..." #~ msgstr "晶体..." #~ msgid "SMILES..." #~ msgstr "SMILES..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "添加pH为...时的氢键" #~ msgid "Atom Properties..." #~ msgstr "原子属性..." #~ msgid "Bond Properties..." #~ msgstr "键属性..." #~ msgid "Angle Properties..." #~ msgstr "键角属性..." #~ msgid "Torsion Properties..." #~ msgstr "扭转属性..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "分子属性..." #~ msgid "Create Surfaces..." #~ msgstr "创建表面..." #, fuzzy #~ msgid "Symmetry..." #~ msgstr "对称" #~ msgid "&Exit" #~ msgstr "退出(&E)" #~ msgid "Insert Fragment..." #~ msgstr "插入片段..." #~ msgid "Theory:" #~ msgstr "理论:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "距离：%L1 Å" #~ msgid "Rotatable" #~ msgstr "可旋转的" #, fuzzy #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "构象异构体%1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "构象异构体%1" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "角度%1" #, fuzzy #~ msgid "Angle" #~ msgstr "角度：" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "构象异构体%1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "扭转 %1" #~ msgid "Torsion" #~ msgstr "扭转" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "能量 (kJ/mol):" #, fuzzy #~ msgid "Yes" #~ msgstr "年" #, fuzzy #~ msgid "No" #~ msgstr "氖" #, fuzzy #~ msgid "&Quantum" #~ msgstr "&量子" #~ msgid "Input Generators" #~ msgstr "输入生成器" #, fuzzy #~ msgid "Import" #~ msgstr "导入" #~ msgid "Insert SMILES" #~ msgstr "插入SMILES" #~ msgid "Insert SMILES fragment:" #~ msgstr "插入SMILES片段:" #~ msgid "Insert Crystal" #~ msgstr "插入晶体" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "插入分子片段以构建更大的分子" #~ msgid "E&xtensions" #~ msgstr "扩展(&X)" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "优化几何结构(&O)" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "几何优化" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "添加氢原子" #, fuzzy #~ msgid "Stopped" #~ msgstr "停止" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "表面" #~ msgid "Color by Index" #~ msgstr "按索引着色" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "按索引着色 (红，橙，黄，绿，蓝，紫)" #~ msgid "Color by Partial Charge" #~ msgstr "按部分电荷着色" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "按原子部分电荷着色（蓝色=正电荷，红色=负电荷。）" #~ msgid "Custom Color:" #~ msgstr "自定义颜色：" #~ msgid "Set custom colors for objects" #~ msgstr "为物体设置自定义颜色" #~ msgid "Color by Distance" #~ msgstr "按距离着色" #~ msgid "Color by distance from the first atom." #~ msgstr "按与第一个原子的距离远近着色。" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "按元素着色 (碳=灰色，氧=红色，...)" #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "按残基着色（氨基酸类型，疏水性，...）" #~ msgid "SMARTS Pattern:" #~ msgstr "SMART 模式：" #~ msgid "Highlight Color:" #~ msgstr "高亮颜色：" #~ msgid "Color by SMARTS Pattern" #~ msgstr "以 SMARTS 模式着色" #~ msgid "Ununtrium" #~ msgstr "Uut" #~ msgid "Ununpentium" #~ msgstr "Uup" #~ msgid "Ununseptium" #~ msgstr "Uus" #~ msgid "Ununoctium" #~ msgstr "Uuo" #~ msgid "Engines" #~ msgstr "引擎" #~ msgid "Axes" #~ msgstr "轴" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "以球（原子）和棍（键）模式渲染几何体" #~ msgid "Hydrogen Bond" #~ msgstr "氢键" #~ msgid "Renders hydrogen bonds" #~ msgstr "渲染氢键" #~ msgid "Select Atom Labels Color" #~ msgstr "选择原子标签颜色" #~ msgid "Select Bond Labels Font" #~ msgstr "选择键标签字体" #~ msgid "Polygon" #~ msgstr "多边形" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "将原子渲染为正四面体，正八面体，以及其它多面体" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "将蛋白质骨架渲染为带状" #~ msgid "Ring" #~ msgstr "环" #~ msgid "Renders rings with colored planes" #~ msgstr "将环渲染为彩色平面" #~ msgid "Simple Wireframe" #~ msgstr "简单线框" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "将化学键渲染为线框 (线)，对大分子较合适" #~ msgid "Van der Waals Spheres" #~ msgstr "Van der Waals球体" #~ msgid "Stick" #~ msgstr "棒状" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "电子密度, 等高面 = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, 等高面 = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "将键渲染为线框（线），对于大的（生物）分子很理想" #~ msgid "Trajectory files" #~ msgstr "轨道文件" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "添加.avi扩展名" #~ msgid "Animation..." #~ msgstr "动画" #~ msgid "Cannot read file format of file %1." #~ msgstr "无法读取文件 %1 的格式" #~ msgid "Read trajectory file %1 failed." #~ msgstr "读取轨迹文件 %1 失败" #~ msgid "Must specify a valid .avi file name" #~ msgstr "必须指定一个有效的.avi文件名" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "为保存视频用的GL小工具没有正确初始化" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "无效的文件名。必须包含完整路径。" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "无效的文件名。必须包含完整路径和文件名，以.avi结尾。" #~ msgid "Could not determine format from filename: %1" #~ msgstr "无法从文件名 %1 猜测出文件格式" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "将轨迹、反应和振动进行动画化。" #~ msgid "Cartesian Editor..." #~ msgstr "笛卡尔坐标编辑器..." #~ msgid "Cartesian editor" #~ msgstr "笛卡尔编辑器" #~ msgid "Number of atoms: %1" #~ msgstr "原子个数: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "可旋转化学键个数: %1" #~ msgid "Add constraint" #~ msgstr "添加限制条件" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "您的分子必须包含至少一个原子才能添加限制条件" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "您的分子必须包含至少两个原子以添加化学键限制条件" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "您的分子必须包含至少三个原子以添加键角限制条件" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "您的分子必须包含至少四个原子以添加扭转限制条件" #~ msgid "&Crystallography" #~ msgstr "&结晶学" #~ msgid "&Length Unit" #~ msgstr "&长度单位" #~ msgid "&Angle Unit" #~ msgstr "&角度单位" #~ msgid "&Matrix Display" #~ msgstr "矩阵显示(&M)" #~ msgid "Hide &Editors" #~ msgstr "隐藏编辑器(&E)" #~ msgid "Show &Editors" #~ msgstr "显示编辑器(&E)" #~ msgid "Hide &Property Display" #~ msgstr "隐藏属性显示(&P)" #~ msgid "Show &Property Display" #~ msgstr "显示属性显示(&P)" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "晶格类型：%1" #~ msgid "Undefined" #~ msgstr "未定义" #~ msgid "&Fill Unit Cell" #~ msgstr "填充晶胞(&F)" #~ msgid "Fill the unit cell using current spacegroup." #~ msgstr "使用当前空间群填充晶胞。" #~ msgid "&Bohr" #~ msgstr "玻尔(&B)" #~ msgid "&Nanometer" #~ msgstr "纳米(&N)" #~ msgid "&Picometer" #~ msgstr "皮米(&P)" #~ msgid "&Degree" #~ msgstr "度数(&D)" #~ msgid "&Radian" #~ msgstr "弧度(&R)" #~ msgid "Display &cartesian coordinates" #~ msgstr "显示笛卡尔坐标(&C)" #~ msgid "Display &cartesian matrix" #~ msgstr "显示笛卡尔矩阵(&C)" #~ msgid "&Crystal View Options..." #~ msgstr "晶体视图选项(&C)..." #~ msgid "Set Fractional Coordinates" #~ msgstr "设定分数坐标" #~ msgid "Working..." #~ msgstr "正在进行..." #~ msgid "Build" #~ msgstr "构建" #~ msgid "Please select one or more atoms." #~ msgstr "请选择一个或多个原子。" #~ msgid "Trajectory..." #~ msgstr "轨迹..." #~ msgid "Open chemical file format" #~ msgstr "打开化学文件格式" #~ msgid "Chemical files (*.xyz)" #~ msgstr "化学文件 (*.xyz)" #~ msgid "Chemical files (*.parm7)" #~ msgstr "化学文件 (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "导入轨迹" #~ msgid "Import trajectory files" #~ msgstr "导入轨迹文件" #~ msgid "Calculate Energy" #~ msgstr "计算能量" #~ msgid "Conformer Search..." #~ msgstr "搜寻构象异构体" #~ msgid "Constraints..." #~ msgstr "限制条件" #~ msgid "Systematic Rotor Search" #~ msgstr "系统性旋转搜索" #~ msgid "Random Rotor Search" #~ msgstr "随机性旋转搜索" #~ msgid "Weighted Rotor Search" #~ msgstr "权重旋转搜索" #~ msgid "ForceField" #~ msgstr "力场" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "优化分子并用分子动力学力场生成构象异构体" #~ msgid "&Vector Graphics..." #~ msgstr "&矢量图形..." #~ msgid "Common vector image formats" #~ msgstr "普通矢量图格式" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "矢量图输出" #~ msgid "Change H to Methyl" #~ msgstr "将氢替换为甲基" #~ msgid "H to Methyl" #~ msgstr "氢到甲基" #~ msgid "H2Methyl" #~ msgstr "氢到甲基" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "将氢原子转换为甲基" #~ msgid "Add or remove hydrogens" #~ msgstr "添加或删除氢原子" #~ msgid "Peptide..." #~ msgstr "多肽..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "插入寡多肽序列" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "未知" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "偶极矩估计值（D）:" #~ msgid "Display standard molecular properties." #~ msgstr "显示标准分子属性。" #~ msgid "Fetch from URL..." #~ msgstr "从URL获取..." #~ msgid "PDB Entry" #~ msgstr "PDB项目" #~ msgid "PDB entry to download." #~ msgstr "下载PDB项目。" #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "从URL下载分子。" #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "特定的分子无法载入: %1" #~ msgid "Network Fetch" #~ msgstr "网络获取" #~ msgid "Fetch molecule files over the network." #~ msgstr "从网络获取分子文件。" #~ msgid "Show Preview" #~ msgstr "显示预览" #~ msgid "Hide Preview" #~ msgstr "隐藏预览" #~ msgid "Save POV-Ray rendered image" #~ msgstr "保存用POV-Ray渲染的图像" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "图像文件 (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "没有提供有效的文件名。" #~ msgid "Does not compute." #~ msgstr "没有计算。" #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "你要求不要直接用POV-Ray渲染，并且不保存POV-Ray文件。这会导致没有任何输出被" #~ "保存。你确定这是你希望的么？" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "无法写入到文件%1。是否拥有写入到该地址的许可？" #~ msgid "POV-Ray failed to start." #~ msgstr "POV-Ray启动失败。" #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "POV-Ray未能启动。可能是因为可执行文件的路径设置不正确。" #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "创建POV-Ray文件并用命令行POV-Ray程序渲染。" #~ msgid "Conformer Properties..." #~ msgstr "构象属性..." #~ msgid "Python Terminal" #~ msgstr "Python终端" #~ msgid "pythonTerminalDock" #~ msgstr "python终端托盘" #~ msgid "Interactive python scripting terminal" #~ msgstr "交互式Python脚本终端" #~ msgid "QM Matches" #~ msgstr "量子力学匹配" #~ msgid "Delete" #~ msgstr "删除" #~ msgid "You must make a selection!" #~ msgstr "您必须进行选择" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "SMILES 不能转换" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "SMILES 格式转换不能使用" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "为GAMESS量子化学软件包创建输入文件" #~ msgid "Advanced Settings Changed" #~ msgstr "高级设置更改" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "高级设置已更改.\n" #~ "要放弃吗?" #~ msgid "Advanced Settings Reset" #~ msgstr "重设高级设置" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "您确定要重设高级设置吗?\n" #~ "所有改动都将丢失!" #~ msgid "Basic Settings Reset" #~ msgstr "基本设置重设" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "您确定要重设基本设置吗?\n" #~ "所有改动都将丢失!" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussian输入卡片生成器警告" #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussian输入卡片" #~ msgid "Gaussian Running." #~ msgstr "Gaussian正在运行。" #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "Gaussian已经在运行了。请等待之前的计算完成。" #~ msgid "Gaussian Not Installed." #~ msgstr "Gaussian没有被安装。" #~ msgid "The G03 executable, cannot be found." #~ msgstr "无法找到G03的可执行程序。" #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "G03没有启动。也许它没有被正确安装。" #~ msgid "Running Gaussian calculation..." #~ msgstr "运行Gaussian计算..." #~ msgid "G03 Crashed." #~ msgstr "G03崩溃了。" #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "Gaussian没有正常运行，也许是因为它没有被正确安装。" #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC输入警告" #~ msgid "MOPAC Running." #~ msgstr "MOPAC正在运行。" #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC已经在运行了。请等待前期计算的完成。" #~ msgid "MOPAC Not Installed." #~ msgstr "MOPAC没有安装。" #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "未能找到MOPAC可执行文件。" #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "MOPAC没有启动。也许是因为它没有被正确安装。" #~ msgid "Running MOPAC calculation..." #~ msgstr "运行MOPAC计算..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC崩溃了。" #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "MOPAC没有正确运行。也许是因为它没有被正确安装。" #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "NWChem输入卡片生成器警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "您是否希望更新预览文字，并丢失所有在NWChem输入卡片预览面板中所做的更改？" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem输入卡片生成器警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "" #~ "您是否想更新预览文本，并丢失所有在Q-Chem输入卡片预览面板中所做的修改？" #~ msgid "Select SMARTS..." #~ msgstr "选择SMARTS..." #~ msgid "Add Named Selection..." #~ msgstr "添加已命名的选择" #~ msgid "SMARTS Selection" #~ msgstr "SMARTS选择" #~ msgid "SMARTS pattern to select" #~ msgstr "SMARTS模版选择" #~ msgid "There is no current selection." #~ msgstr "当前没有选择。" #~ msgid "Add Named Selection" #~ msgstr "添加已命名的选择" #~ msgid "Name cannot be empty." #~ msgstr "名称不能为空。" #~ msgid "There is already a selection with this name." #~ msgstr "该名称已经有对应的选择了。" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "选择原子，键，残基..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL着色器..." #~ msgid "Open a vertex shader source file" #~ msgstr "打开顶点着色器源文件" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "顶点着色器文件 (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "打开片段着色器源文件" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "片段着色器文件 (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "打开着色器参数文件" #~ msgid "Shader parameters files (*.params)" #~ msgstr "着色器参数文件 (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL着色器" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "载入并使用OpenGL 2.0 GLSL着色器" #~ msgid "Transmittance (%)" #~ msgstr "透射比 (%)" #~ msgid "Absorbance (%)" #~ msgstr "吸光度 (%)" #~ msgid "No intensities" #~ msgstr "没有强度" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "您加载的分子振动数据没有任何强度数值。强度应当被赋予一个数值以便显示。" #~ msgid "X Axis" #~ msgstr "X 轴" #~ msgid "Y Axis" #~ msgstr "Y 轴" #~ msgid "&Infrared Spectra Settings" #~ msgstr "红外光谱设置(&I)" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "核磁共振" #~ msgid "&NMR Spectra Settings" #~ msgstr "核磁共振谱设置(&N)" #~ msgid "No data" #~ msgstr "没有数据" #~ msgid "Dark" #~ msgstr "灰暗" #~ msgid "Publication" #~ msgstr "发布" #~ msgid "Handdrawn" #~ msgstr "手绘" #~ msgid "New Scheme" #~ msgstr "新原理图" #~ msgid "Confirm Scheme Removal" #~ msgstr "确认移除原理图" #~ msgid "Really remove current scheme?" #~ msgstr "真的要移除当前原理图吗?" #~ msgid "Change Scheme Name" #~ msgstr "改变原理图名称" #~ msgid "Enter new name for current scheme:" #~ msgstr "为当前原理图输入新名字:" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "制表符分隔数值格式 (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "Tab分隔数值" #~ msgid "Comma Separated Values" #~ msgstr "逗号分隔数值" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "未知扩展名: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf IR 数据 (*.out)" #~ msgid "Data Format" #~ msgstr "数据格式" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "格式:" #~ msgid "Load Spectral Data" #~ msgstr "载入光谱数据" #~ msgid "Portable Network Graphics" #~ msgstr "便携式网络图形(PNG)" #~ msgid "jpeg" #~ msgstr "jpeg" #~ msgid "Tagged Image File Format" #~ msgstr "标签图像文件格式(TIFF)" #~ msgid "Windows Bitmap" #~ msgstr "Windows 位图" #~ msgid "Portable Pixmap" #~ msgstr "可移动点阵图" #~ msgid "X11 Bitmap" #~ msgstr "X11 位图" #~ msgid "X11 Pixmap" #~ msgstr "X11 点阵图" #~ msgid "Save Spectra Image" #~ msgstr "保存光谱图像" #~ msgid "&Spectra..." #~ msgstr "光谱(&S)..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "由量子化学计算结果将光谱数据可视化" #~ msgid "No vibrational displacements exist." #~ msgstr "没有振动位移存在。" #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "从量子化学计算中显示振动模式。" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "按照频率对 %1 的振动进行分类..." #~ msgid "Super Cell Builder..." #~ msgstr "超晶胞构建器..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "该文档目前是一个单独的分子。你需要创建一个单位晶胞。" #~ msgid "Build and display crystallographic super cells" #~ msgstr "构建并显示晶体学中的超晶胞" #~ msgid "Orbitals" #~ msgstr "轨道" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "无" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "Van der Waals" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "电子密度" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "错误 - 未定义的类型" #~ msgid "Calculating VdW Cube" #~ msgstr "计算VdW立方体" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "计算分子轨道%L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "GL小工具未能正确启动以制作视频" #~ msgid "GL widget has no molecule" #~ msgstr "GL小工具未包含任何分子" #~ msgid "Building video " #~ msgstr "建构视频 " #~ msgid "Could not run mencoder." #~ msgstr "无法运行mencoder。" #~ msgid "Set Aspect Ratio" #~ msgstr "设置长宽比" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "当前Avogadro场景有 %1x%2 像素大小，因此长宽比为 %3。\n" #~ "您可以保留这个数值，例如当您想使用POV-Ray的时候。\n" #~ "要生成 %4x1000 像素的图像，或者您可以输入任何正值，\n" #~ "例如您想用POV-Ray生成正方形的像 1000x1000 像素的图像." #~ msgid "Connect" #~ msgstr "连接" #~ msgid "Disconnect" #~ msgstr "断开" #~ msgid "&WiiTrack" #~ msgstr "&Wii跟踪" #~ msgid "Wii Tracking" #~ msgstr "Wii跟踪" #~ msgid "Track motion using Wii remotes" #~ msgstr "使用Wii遥控器跟踪运动" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "" #~ "不正确的OpenGL内容.\n" #~ "也许您的OpenGL安装被完全破坏 (您是否在运行某些OpenGL程序? ), 或者您遇到了" #~ "一个Bug." #~ msgid "Debug Information" #~ msgstr "调试信息" #~ msgid "FPS: %L1" #~ msgstr "帧速率: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "显示尺寸: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "原子: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: index %1 out of reach." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "文件类型 '%1' 不支持读取操作。" #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "文件 '%1' 的文件类型不支持读取操作。" #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "读取含有索引 %1 的分子信息的文件 '%2' 失败。" #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "replaceMolecule: index %1 out of reach." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "文件类型 '%1' 不支持写入操作。" #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "文件 '%1' 的文件类型不支持写入操作。" #~ msgid "Could not open file '%1' for reading." #~ msgstr "无法打开文件 '%1' 并读取。" #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "用索引 %1替换文件 '%2' 中的分子失败。" #~ msgid "File %1 cannot be opened for reading." #~ msgstr "文件 %1 无法被打开并读取。" #~ msgid "File %1 can not be opened for writing." #~ msgstr "文件 %1 无法被打开并写入。" #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "保存分子文件失败 - 无法重命名原始文件。" #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "保存分子文件失败 - 无法重命名新文件。" #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "保存分子文件失败 - 无法删除旧文件。" #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "将分子写入到文件 '%1' 失败。 OpenBabel功能失效。" #~ msgid "File %1 cannot be opened for writing." #~ msgstr "文件 %1 无法被打开并写入。" #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "将构象异构体写入到文件 '%1' 失败" #~ msgid "Molecule %1" #~ msgstr "分子 %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "未知Python引擎" #~ msgid "PythonEngine: checking " #~ msgstr "Python引擎: 检查中 " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - 脚本没有定义“引擎”种类" #~ msgid " - no module" #~ msgstr " - 没有模块" #~ msgid "Unknown Python Extension" #~ msgstr "未知Python扩展" #~ msgid "PythonExtension: checking " #~ msgstr "Python扩展: 检查中 " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - 脚本没有定义“扩展”类型" #~ msgid "Unknown Python Tool" #~ msgstr "未知Python工具" #~ msgid "PythonTool: checking " #~ msgstr "Python工具: 检查中 " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - 脚本没有定义“工具”类型" #~ msgid "Tools" #~ msgstr "工具" #~ msgid "Align:" #~ msgstr "对齐：" #~ msgid "Everything" #~ msgstr "所有内容" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "自动优化: 不能建立力场...." #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "自动优化: E = %1 %2 (dE = %3)" #~ msgid "Steps per Update:" #~ msgstr "每次更新步骤数:" #~ msgid "Algorithm:" #~ msgstr "算法：" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "分子动力学 (600K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "分子动力学 (900K)" #~ msgid "Start" #~ msgstr "开始" #~ msgid "Fixed atoms are movable" #~ msgstr "设置固定的原子为可移动的" #~ msgid "Ignored atoms are movable" #~ msgstr "设置已忽略的原子为可移动的" #~ msgid "AutoOpt Molecule" #~ msgstr "自动优化分子" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "自动优化分子几何构型" #~ msgid "AutoOptimization Settings" #~ msgstr "自动优化设置" #~ msgid "Auto Rotation Tool" #~ msgstr "自动旋转工具" #~ msgid "x rotation:" #~ msgstr "x轴旋转" #~ msgid "x rotation" #~ msgstr "x轴旋转" #~ msgid "y rotation:" #~ msgstr "y轴旋转" #~ msgid "y rotation" #~ msgstr "y轴旋转" #~ msgid "z rotation:" #~ msgstr "z轴旋转" #~ msgid "z rotation" #~ msgstr "z轴旋转" #~ msgid "Automatic rotation of molecules" #~ msgstr "自动旋转分子" #~ msgid "AutoRotate Settings" #~ msgstr "自动旋转设置" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "键长: %L1" #~ msgid " Show Angles" #~ msgstr " 显示键角" #~ msgid "Bond Centric Manipulate" #~ msgstr "化学键操纵" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "操纵键长，键角和扭转" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "化学键操纵设置" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "距离(2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "距离(3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "二面角: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "距离(s):" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "测量键长，键角和二面角" #~ msgid "Draw Bond" #~ msgstr "绘制化学键" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "绘制并编辑原子和键" #~ msgid "Draw Settings" #~ msgstr "绘制设置" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "平移，旋转并调整原子和片段" #~ msgid "Manipulate Settings" #~ msgstr "操纵设置" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "平移，旋转并在当前视图内缩放" #~ msgid "Navigate Settings" #~ msgstr "导航设置" #~ msgid "Selection Mode:" #~ msgstr "选择模式:" #~ msgid "Atom/Bond" #~ msgstr "原子/键" #~ msgid "Residue" #~ msgstr "残基" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "选择原子，残基和分子" #~ msgid "Symbol" #~ msgstr "符号" #~ msgid "Bond Length" #~ msgstr "键长" #~ msgid "Dihedral Angle" #~ msgstr "二面角" #~ msgid "Z Matrix Editor..." #~ msgstr "Z矩阵编辑器..." #~ msgid "Z-Matrix" #~ msgstr "Z-矩阵" #~ msgid "Create/edit a z-matrix" #~ msgstr "创建/编辑一个Z矩阵" #~ msgid "Z-Matrix Settings" #~ msgstr "Z-矩阵设置" #~ msgid "Color residues by:" #~ msgstr "给残基着色按：" #~ msgid "Hydrophobicity" #~ msgstr "疏水性" #~ msgid "Atom Radius:" #~ msgstr "原子半径:" #~ msgid "Bond Radius:" #~ msgstr "键半径:" #~ msgid "Shape" #~ msgstr "图形" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "环" #~ msgid "Dipole:" #~ msgstr "偶极:" #~ msgid "Cut-off radius:" #~ msgstr "截断半径：" #~ msgid "Cut-off angle:" #~ msgstr "截断角度:" #~ msgid "Residue number" #~ msgstr "残基序数" #~ msgid "Bond length" #~ msgstr "键长" #~ msgid "Bond number" #~ msgstr "键序数:" #~ msgid "Bond order" #~ msgstr "键级" #~ msgid "Radius:" #~ msgstr "半径：" #~ msgid "Include Nitrogens" #~ msgstr "包含氮" #~ msgid "VdW Opacity:" #~ msgstr "VdW 不透明度:" #~ msgid "Orbital:" #~ msgstr "轨道:" #~ msgid "Render:" #~ msgstr "渲染:" #~ msgid "Fill" #~ msgstr "填充" #~ msgid "Points" #~ msgstr "点" #~ msgid "Draw Box:" #~ msgstr "绘制盒：" #~ msgid "Mapped Colors" #~ msgstr "映射的颜色" #~ msgid "Positive" #~ msgstr "正" #~ msgid "Negative" #~ msgstr "负" #~ msgid "Show Atoms" #~ msgstr "显示原子" #~ msgid "Animate Trajectory" #~ msgstr "动画轨迹" #~ msgid "0/0" #~ msgstr "0/0" #~ msgid "Save as .avi..." #~ msgstr "保存为.avi文件..." #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "Number of atoms:" #~ msgstr "原子数量" #~ msgid "Number of rotatable bonds:" #~ msgstr "可旋转键数量" #~ msgid "Ignore Atom" #~ msgstr "忽略原子" #~ msgid "Fix Atom" #~ msgstr "修正原子" #~ msgid "Fix Atom X" #~ msgstr "修正原子X" #~ msgid "Fix Atom Y" #~ msgstr "修正原子Y" #~ msgid "Fix Atom Z" #~ msgstr "修正原子Z" #~ msgid "Torsion angle" #~ msgstr "扭转角" #~ msgid "Add" #~ msgstr "添加" #~ msgid "Save" #~ msgstr "保存" #~ msgid "Load" #~ msgstr "载入" #~ msgid "Cartesian" #~ msgstr "笛卡尔" #~ msgid "All" #~ msgstr "全部" #~ msgid "File Import..." #~ msgstr "导入文件..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "尝试检测化学键？" #~ msgid "Setup Force Field" #~ msgstr "建立力场" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "步骤数" #~ msgid "Algorithm" #~ msgstr "算法" #~ msgid "Ala" #~ msgstr "Ala" #~ msgid "Arginine" #~ msgstr "精氨酸" #~ msgid "Arg" #~ msgstr "Arg" #~ msgid "Asparagine" #~ msgstr "天冬酰胺" #~ msgid "Asn" #~ msgstr "Asn" #~ msgid "Aspartic acid" #~ msgstr "天冬氨酸" #~ msgid "Asp" #~ msgstr "Asp" #~ msgid "Cysteine" #~ msgstr "半胱氨酸" #~ msgid "Cys" #~ msgstr "Cys" #~ msgid "Glutamic acid" #~ msgstr "谷氨酸" #~ msgid "Glu" #~ msgstr "Glu" #~ msgid "Glutamine" #~ msgstr "谷氨酰胺" #~ msgid "Gln" #~ msgstr "Gln" #~ msgid "Glycine" #~ msgstr "甘氨酸" #~ msgid "Gly" #~ msgstr "Gly" #~ msgid "Histidine" #~ msgstr "组氨酸" #~ msgid "His" #~ msgstr "His" #~ msgid "Isoleucine" #~ msgstr "异亮氨酸" #~ msgid "Ile" #~ msgstr "Ile" #~ msgid "Val" #~ msgstr "Val" #~ msgid "Tyr" #~ msgstr "Tyr" #~ msgid "Tryptophan" #~ msgstr "色氨酸" #~ msgid "Trp" #~ msgstr "Trp" #~ msgid "Threonine" #~ msgstr "苏氨酸" #~ msgid "Thr" #~ msgstr "Thr" #~ msgid "Serine" #~ msgstr "丝氨酸" #~ msgid "Ser" #~ msgstr "Ser" #~ msgid "Proline" #~ msgstr "脯氨酸" #~ msgid "Phenylalanine" #~ msgstr "苯丙氨酸" #~ msgid "Phe" #~ msgstr "Phe" #~ msgid "Methionine" #~ msgstr "甲硫氨酸" #~ msgid "Met" #~ msgstr "Met" #~ msgid "Lysine" #~ msgstr "赖氨酸" #~ msgid "Lys" #~ msgstr "Lys" #~ msgid "Leucine" #~ msgstr "亮氨酸" #~ msgid "Leu" #~ msgstr "Leu" #~ msgid "Sequence (N to C):" #~ msgstr "序列 (N to C):" #~ msgid "Stereochemistry:" #~ msgstr "立体化学:" #~ msgid "L" #~ msgstr "L" #~ msgid "N Terminus:" #~ msgstr "N端:" #~ msgid "C Terminus:" #~ msgstr "C端:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Straight Chain" #~ msgstr "直链" #~ msgid "Alpha Helix" #~ msgstr "Alpha螺旋" #~ msgid "Beta Sheet" #~ msgstr "Beta片层" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "Chain Number:" #~ msgstr "链编号:" #~ msgid "The chain number for the new peptide" #~ msgstr "新多肽所用的链编号" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "残基的数量:" #~ msgid "Dipole Moment (D):" #~ msgstr "偶极矩 (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "高级" #~ msgid "Control" #~ msgstr "控制" #~ msgid "Grid" #~ msgstr "网格" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray导出" #~ msgid "Select..." #~ msgstr "选择..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "使用全场景抗锯齿" #~ msgid "Antialias" #~ msgstr "抗锯齿" #~ msgid "Set the background color to be transparent" #~ msgstr "设置背景色为透明" #~ msgid "Alpha transparency" #~ msgstr "Alpha透明" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "使用命令行POV-Ray直接渲染分子" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "渲染完成后保留POV-Ray源文件" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "渲染后保留POV-Ray源文件" #~ msgid "Path:" #~ msgstr "路径:" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Compute..." #~ msgstr "计算..." #~ msgid "HF" #~ msgstr "HF" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "Property:" #~ msgstr "属性：" #~ msgid "EFP Matches" #~ msgstr "EFP匹配" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "高级设置" #~ msgid "Hessian" #~ msgstr "Hessian" #~ msgid "Stat Point" #~ msgstr "起始点" #~ msgid "System" #~ msgstr "系统" #~ msgid "MO Guess" #~ msgstr "分子轨道猜测" #~ msgid "Misc" #~ msgstr "其它" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D 重原子极化函数:" #~ msgid "Read" #~ msgstr "读取" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "散射重原子的S壳层" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "散射重原子的L壳层" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "双Zeta化合价" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "三Zeta化合价" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA化合价" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt 化合价" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP 类型:" #~ msgid "Default" #~ msgstr "默认" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F 重原子极化函数:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#氢原子极化函数:" #~ msgid "Polar:" #~ msgstr "极化:" #~ msgid "Max SCF Iterations:" #~ msgstr "最大 SCF 迭代:" #~ msgid "Gradient" #~ msgstr "渐变" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "马鞍点" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "渐变极值" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "放射性过渡力矩" #~ msgid "Spin Orbit" #~ msgstr "自旋轨道" #~ msgid "Finite Electric Field" #~ msgstr "有限电场" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "全局优化" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO 优化" #~ msgid "Raman Intensities" #~ msgstr "Raman强度" #~ msgid "Make EFP" #~ msgstr "构建 EFP" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "无 (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF 类型:" #~ msgid "Localization Method:" #~ msgstr "本地化方式:" #~ msgid "Exec Type:" #~ msgstr "执行类型:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinant" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "被限制占据的多重活动空间" #~ msgid "CI Singles" #~ msgstr "CI 单体" #~ msgid "Full Second Order CI" #~ msgstr "完全二级 CI" #~ msgid "General CI" #~ msgstr "通用 CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: 线性化CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: 含有Doubles的CC" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: 含有Singles和Doubles的CC" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "正常运行" #~ msgid "Check" #~ msgstr "检查" #~ msgid "Debug" #~ msgstr "调试" #~ msgid "Run Type:" #~ msgstr "运行模式:" #~ msgid "Use MP2" #~ msgstr "使用 MP2" #~ msgid "Use DFT" #~ msgstr "使用 DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# 个Z-矩阵变量" #~ msgid "Ǻngstrom" #~ msgstr "埃" #~ msgid "Order of Principal Axis:" #~ msgstr "主轴级数:" #~ msgid "Coordinate Type:" #~ msgstr "坐标类型:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "独立笛卡尔坐标." #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrant internals" #~ msgid "Use Symmetry During Calculation" #~ msgstr "计算中使用对称性" #~ msgid "Point Group:" #~ msgstr "点群:" #~ msgid "Minutes" #~ msgstr "分" #~ msgid "Hours" #~ msgstr "时" #~ msgid "Days" #~ msgstr "日" #~ msgid "Weeks" #~ msgstr "周" #~ msgid "Millenia" #~ msgstr "千年" #~ msgid "MegaWords" #~ msgstr "百万词" #~ msgid "MegaBytes" #~ msgstr "兆字节" #~ msgid "Force Parallel Methods" #~ msgstr "力平行方式" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "当取消时创建\"核心\"文件" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "内存：" #~ msgid "Diagonalization Method:" #~ msgstr "可对角化方式:" #~ msgid "Parallel Load Balance Type" #~ msgstr "平行载入平衡类型" #~ msgid "Use External Data Representation for Messages" #~ msgstr "使用外部数据来表示信息" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "H核" #~ msgid "MO Read ($VEC)" #~ msgstr "MO 读取 ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO 已保存 (DICTNRY)" #~ msgid "Skip" #~ msgstr "跳过" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "旋转Alpha和Beta轨道" #~ msgid "Print the Initial Guess" #~ msgstr "打印初始猜测" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "GAMESS界面到其它编码" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "强制检查运行类型" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (UK版)" #~ msgid "Solvate with Water" #~ msgstr "使用水进行溶剂化" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "Generate UHF 自然轨道" #~ msgid "Direct SCF" #~ msgstr "直接 SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "在Fock矩阵中仅计算改变项" #~ msgid "Slater exchange" #~ msgstr "Slater交换" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 交换" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair (VWN5) 相关" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr 相关" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater交换 + VWN相关" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE 交换 + VWN5 相关" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE 交换 + LYP 相关" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill 1996 交换" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof (PBE) 交换" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: One-parameter Progressive 相关" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr (LYP) 相关" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP 相关" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE 交换 + OP 相关" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL 交换 + VWN5 相关" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL 交换 + LYP 相关" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE 交换 + VWN6 相关" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE 交换 +LYP 相关" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE 交换 + OP 相关" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF and BECKE 交换 + LYP 相关" #~ msgid "Grid-Free" #~ msgstr "无网格" #~ msgid "Duplicated on Each Node" #~ msgstr "在每个节点上复制" #~ msgid "Distributed Across All Nodes" #~ msgstr "穿过所有节点进行分布" #~ msgid "words" #~ msgstr "词" #~ msgid "Compute MP2 Properties" #~ msgstr "计算MP2属性" #~ msgid "Integral Retention Cutoff:" #~ msgstr "整合阻拦切断" #~ msgid "Use Localized Orbitals" #~ msgstr "使用定域轨道" #~ msgid "# of Core Electrons:" #~ msgstr "# 个核心电子:" #~ msgid "Transformation Method" #~ msgstr "变形方式" #~ msgid "Two Phase Bin Sort" #~ msgstr "两相贮存分类" #~ msgid "Segmented Transformation" #~ msgstr "片段化变形" #~ msgid "Numeric" #~ msgstr "数值" #~ msgid "Double Differenced Hessian" #~ msgstr "双微分Hessian" #~ msgid "Print Internal Force Constants" #~ msgstr "打印内部力常数" #~ msgid "Displacement Size:" #~ msgstr "置换尺寸" #~ msgid "Purify Hessian" #~ msgstr "纯Hessian" #~ msgid "bohrs" #~ msgstr "玻尔" #~ msgid "Initial Hessian" #~ msgstr "初始Hessian" #~ msgid "Guess (+ define)" #~ msgstr "猜测 (+ 定义)" #~ msgid "Read (from $HESS)" #~ msgstr "读取 (从 $HESS)" #~ msgid "Update Step Size" #~ msgstr "更新步长" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "每次迭代后打印轨道" #~ msgid "Stationary Point" #~ msgstr "不动点" #~ msgid "Initial:" #~ msgstr "初始" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "有理函数优化" #~ msgid "Quadratic Approximation" #~ msgstr "二次近似" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (类-NR)" #~ msgid "Constrained Optimization" #~ msgstr "限制性优化" #~ msgid "Recalculate Hessian Every:" #~ msgstr "重新计算Hessian在每:" #~ msgid "Follow Mode:" #~ msgstr "跟随模式:" #~ msgid "Basis:" #~ msgstr "基准:" #~ msgid "Z-matrix" #~ msgstr "Z-矩阵" #~ msgid "Gaussian Input" #~ msgstr "Gaussian输入" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "标准" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "检查点:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-矩阵 (致密的)" #~ msgid "MOLPRO Input" #~ msgstr "MOLPRO输入" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Quartet" #~ msgstr "四重" #~ msgid "Quintet" #~ msgstr "五重" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem导入" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Load Shaders" #~ msgstr "载入着色器" #~ msgid "Shader Name:" #~ msgstr "着色器名称:" #~ msgid "Vertex Shader:" #~ msgstr "顶点着色器:" #~ msgid "Fragment Shader:" #~ msgstr "片段着色器:" #~ msgid "Assign Shader" #~ msgstr "指定着色器" #~ msgid "Display Type:" #~ msgstr "显示模式：" #~ msgid "Font:" #~ msgstr "字体:" #~ msgid "Change Font..." #~ msgstr "更换字体..." #~ msgid "New..." #~ msgstr "新建..." #~ msgid "Rename..." #~ msgstr "改名..." #~ msgid "&Schemes:" #~ msgstr "原理图(&S):" #~ msgid "&DPI:" #~ msgstr "&DPI:" #~ msgid "&Width:" #~ msgstr "宽度(&W):" #~ msgid "&Height" #~ msgstr "高度(&H)" #~ msgid "cm" #~ msgstr "厘米" #~ msgid "mm" #~ msgstr "毫米" #~ msgid "in" #~ msgstr "英寸" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "" #~ "使用优化的字体大小而非原理图定义的值(屏幕与图像点大小将不能很好地转换!)" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "自动调整字体大小(&O)" #~ msgid "&Gaussian Width:" #~ msgstr "高斯宽度(&G):" #~ msgid "&Label peaks" #~ msgstr "标记谱峰(&L)" #~ msgid "&Y Axis Units:" #~ msgstr "&Y轴单位:" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Gaussian &Width:" #~ msgstr "高斯宽度(&W):" #~ msgid "Reset &Plot Axes" #~ msgstr "重设坐标轴(&P)" #~ msgid "Label Peaks:" #~ msgstr "标记谱峰:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "分子振动" #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "高振动频率会显示更快的运动" #~ msgid "Animation speed set by frequency" #~ msgstr "动画速度为频率所设置" #~ msgid "Display force &vectors" #~ msgstr "显示力矢量(&V)" #~ msgid "Surface Type:" #~ msgstr "表面类型:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "低" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "中" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "高" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "非常高" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "在显示模式:" #~ msgid "New Display" #~ msgstr "新建显示" #~ msgid "Advanced..." #~ msgstr "高级..." #~ msgid "Python Settings" #~ msgstr "Python设置" #~ msgid "Z Matrix Editor" #~ msgstr "Z矩阵编辑器" avogadrolibs-1.100.0/i18n/zh_TW.po000066400000000000000000011415131474375334400165230ustar00rootroot00000000000000# Traditional Chinese translation for avogadro # Copyright (c) 2008 Rosetta Contributors and Canonical Ltd 2008 # This file is distributed under the same license as the avogadro package. # FIRST AUTHOR , 2008. # crlambda , 2021. # LibreTranslate , 2024. # Ricky From Hong Kong , 2024. # Eisuke Kawashima , 2024, 2025. msgid "" msgstr "" "Project-Id-Version: avogadro\n" "Report-Msgid-Bugs-To: avogadro-devel@lists.sourceforge.net\n" "POT-Creation-Date: 2024-12-29 02:36+0000\n" "PO-Revision-Date: 2025-01-16 14:01+0000\n" "Last-Translator: Eisuke Kawashima \n" "Language-Team: Chinese (Traditional Han script) \n" "Language: zh_TW\n" "MIME-Version: 1.0\n" "Content-Type: text/plain; charset=UTF-8\n" "Content-Transfer-Encoding: 8bit\n" "Plural-Forms: nplurals=1; plural=0;\n" "X-Generator: Weblate 5.10-dev\n" "X-Launchpad-Export-Date: 2018-04-13 16:02+0000\n" #: molequeue/batchjob.cpp:66 #, qt-format msgid "Batch Job #%L1 (%2)" msgstr "" #: molequeue/client/client.cpp:240 msgid "No message specified." msgstr "" #: molequeue/inputgenerator.cpp:65 qtgui/interfacescript.cpp:72 #, qt-format msgid "" "script --print-options output must be an JSON object at top level. " "Received:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:171 qtgui/interfacescript.cpp:210 #: qtgui/interfacescript.cpp:343 msgid "Non-string warning returned." msgstr "" #: molequeue/inputgenerator.cpp:174 qtgui/interfacescript.cpp:213 #: qtgui/interfacescript.cpp:346 msgid "'warnings' member is not an array." msgstr "" #: molequeue/inputgenerator.cpp:194 qtgui/interfacescript.cpp:366 #, qt-format msgid "Reference file '%1' does not exist." msgstr "" #: molequeue/inputgenerator.cpp:196 qtgui/interfacescript.cpp:368 #, qt-format msgid "Error populating file %1: %2" msgstr "" #: molequeue/inputgenerator.cpp:200 qtgui/interfacescript.cpp:372 #, qt-format msgid "" "File '%1' poorly formed. Missing string 'contents' or 'filePath' members." msgstr "" #: molequeue/inputgenerator.cpp:232 qtgui/interfacescript.cpp:405 #, qt-format msgid "" "Malformed file entry: filename/contents missing or not strings:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:238 qtgui/interfacescript.cpp:411 #, qt-format msgid "Malformed file entry at index %1: Not an object." msgstr "" #: molequeue/inputgenerator.cpp:244 qtgui/interfacescript.cpp:417 msgid "'files' member not an array." msgstr "" #: molequeue/inputgenerator.cpp:248 qtgui/interfacescript.cpp:421 msgid "'files' member missing." msgstr "" #: molequeue/inputgenerator.cpp:259 qtgui/interfacescript.cpp:432 msgid "'mainFile' member does not refer to an entry in 'files'." msgstr "" #: molequeue/inputgenerator.cpp:264 qtgui/interfacescript.cpp:437 msgid "'mainFile' member must be a string." msgstr "" #: molequeue/inputgenerator.cpp:275 qtgui/interfacescript.cpp:448 msgid "Response must be a JSON object at top-level." msgstr "" #: molequeue/inputgenerator.cpp:279 qtgui/interfacescript.cpp:452 #, qt-format msgid "" "Script output:\n" "%1" msgstr "" #: molequeue/inputgenerator.cpp:322 qtgui/interfacescript.cpp:496 #, qt-format msgid "" "Parse error at offset %L1: '%2'\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:346 #, qt-format msgid "" "Error saving molecule representation to string: Unrecognized file format: %1" msgstr "" #: molequeue/inputgenerator.cpp:354 #, qt-format msgctxt "%1 = error message" msgid "Error saving molecule representation to string: %1" msgstr "" #: molequeue/inputgenerator.cpp:367 qtgui/interfacescript.cpp:563 #, qt-format msgid "" "Error generating cjson object: Parse error at offset %1: %2\n" "Raw JSON:\n" "\n" "%3" msgstr "" #: molequeue/inputgenerator.cpp:376 qtgui/interfacescript.cpp:572 #, qt-format msgid "" "Error generator cjson object: Parsed JSON is not an object:\n" "%1" msgstr "" #: molequeue/inputgeneratordialog.cpp:41 msgid "Input Generator (error)" msgstr "" #: molequeue/inputgeneratordialog.cpp:43 #, fuzzy, qt-format msgid "%1 Input Generator" msgstr "%1匯入產生器" #: molequeue/inputgeneratorwidget.cpp:116 msgid "Continue" msgstr "繼續" #. i18n: file: molequeue/inputgeneratorwidget.ui:130 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:44 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:184 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:66 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:302 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:955 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1019 #. i18n: ectx: property (text), widget (QPushButton, closeButton) #: molequeue/inputgeneratorwidget.cpp:116 qtgui/containerwidget.cpp:35 msgid "Close" msgstr "關閉" #: molequeue/inputgeneratorwidget.cpp:164 qtgui/elementtranslator.cpp:374 #: qtplugins/configurepython/configurepythondialog.cpp:188 #: qtplugins/configurepython/configurepythondialog.cpp:191 msgid "Unknown" msgstr "未知" #: molequeue/inputgeneratorwidget.cpp:165 #, qt-format, qt-plural-format msgctxt "" msgid "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgid_plural "" "The following file(s) have been modified:\n" "\n" "%1\n" "\n" "Would you like to overwrite your changes to reflect the new geometry or job " "options?" msgstr[0] "" msgstr[1] "" #: molequeue/inputgeneratorwidget.cpp:171 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:147 #: qtplugins/openmminput/openmminputdialog.cpp:204 msgid "Overwrite modified input files?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:197 msgid "Problems occurred during input generation:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:286 msgid "No input files to save!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:294 #: molequeue/inputgeneratorwidget.cpp:602 molequeue/molequeuewidget.cpp:69 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:985 #: qtplugins/gamessinput/gamessinputdialog.cpp:679 msgid "Cannot connect to MoleQueue" msgstr "" #: molequeue/inputgeneratorwidget.cpp:295 #: molequeue/inputgeneratorwidget.cpp:603 molequeue/molequeuewidget.cpp:70 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:986 #: qtplugins/gamessinput/gamessinputdialog.cpp:680 msgid "" "Cannot connect to MoleQueue server. Please ensure that it is running and try " "again." msgstr "" #: molequeue/inputgeneratorwidget.cpp:326 #, qt-format msgid "Submit %1 Calculation" msgstr "" #: molequeue/inputgeneratorwidget.cpp:342 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1022 #: qtplugins/gamessinput/gamessinputdialog.cpp:716 msgid "Job Failed" msgstr "" #: molequeue/inputgeneratorwidget.cpp:343 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1023 #: qtplugins/gamessinput/gamessinputdialog.cpp:717 msgid "The job did not complete successfully." msgstr "" #: molequeue/inputgeneratorwidget.cpp:360 qtgui/interfacewidget.cpp:55 msgid "Script returns warnings:\n" msgstr "" #: molequeue/inputgeneratorwidget.cpp:377 msgid "Hide &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:383 msgid "Show &Warnings" msgstr "" #: molequeue/inputgeneratorwidget.cpp:400 qtgui/interfacewidget.cpp:71 msgid "An error has occurred:" msgstr "" #: molequeue/inputgeneratorwidget.cpp:451 msgid "Select output filename" msgstr "" #: molequeue/inputgeneratorwidget.cpp:463 #, qt-format msgid "Internal error: could not find text widget for filename '%1'" msgstr "" #: molequeue/inputgeneratorwidget.cpp:479 #: molequeue/inputgeneratorwidget.cpp:590 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:975 #: qtplugins/gamessinput/gamessinputdialog.cpp:669 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:324 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:354 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:368 #: qtplugins/openmminput/openmminputdialog.cpp:422 #: qtplugins/openmminput/openmminputdialog.cpp:452 #: qtplugins/openmminput/openmminputdialog.cpp:466 msgid "Output Error" msgstr "" #: molequeue/inputgeneratorwidget.cpp:480 #: molequeue/inputgeneratorwidget.cpp:591 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:976 #: qtplugins/gamessinput/gamessinputdialog.cpp:670 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:355 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:369 #: qtplugins/openmminput/openmminputdialog.cpp:453 #: qtplugins/openmminput/openmminputdialog.cpp:467 #, qt-format msgid "Failed to write to file %1." msgstr "" #: molequeue/inputgeneratorwidget.cpp:491 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:243 #: qtplugins/openmminput/openmminputdialog.cpp:341 msgid "Select output directory" msgstr "" #: molequeue/inputgeneratorwidget.cpp:508 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:258 #: qtplugins/openmminput/openmminputdialog.cpp:356 #, qt-format msgid "%1: Directory does not exist!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:514 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:264 #: qtplugins/openmminput/openmminputdialog.cpp:362 #, qt-format msgid "%1: Directory cannot be read!" msgstr "" #: molequeue/inputgeneratorwidget.cpp:524 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:272 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:287 #: qtplugins/openmminput/openmminputdialog.cpp:370 #: qtplugins/openmminput/openmminputdialog.cpp:385 #, qt-format msgid "%1: File will be overwritten." msgstr "" #: molequeue/inputgeneratorwidget.cpp:529 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:279 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:294 #: qtplugins/openmminput/openmminputdialog.cpp:377 #: qtplugins/openmminput/openmminputdialog.cpp:392 #, qt-format msgid "%1: File is not writable." msgstr "" #: molequeue/inputgeneratorwidget.cpp:542 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:306 #: qtplugins/openmminput/openmminputdialog.cpp:404 msgid "The input files cannot be written due to an unknown error." msgstr "" #: molequeue/inputgeneratorwidget.cpp:546 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:310 #: qtplugins/openmminput/openmminputdialog.cpp:408 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1" msgstr "" #: molequeue/inputgeneratorwidget.cpp:555 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:319 #: qtplugins/openmminput/openmminputdialog.cpp:417 #, qt-format msgid "" "The input files cannot be written:\n" "\n" "%1\n" "\n" "Warnings:\n" "\n" "%2" msgstr "" #: molequeue/inputgeneratorwidget.cpp:566 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:330 #: qtplugins/openmminput/openmminputdialog.cpp:428 #, qt-format msgid "" "Warning:\n" "\n" "%1\n" "\n" "Would you like to continue?" msgstr "" #: molequeue/inputgeneratorwidget.cpp:570 #: qtplugins/lammpsinput/lammpsinputdialog.cpp:334 #: qtplugins/openmminput/openmminputdialog.cpp:432 msgid "Write input files" msgstr "" #: molequeue/inputgeneratorwidget.cpp:617 msgid "Configure Job" msgstr "" #: molequeue/molequeuedialog.cpp:57 msgid "Submitting job to MoleQueue…" msgstr "" #: molequeue/molequeuedialog.cpp:66 msgid "Job Submission Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:67 msgid "Avogadro timed out waiting for a reply from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:83 #, qt-format msgctxt "%1 = job ID, %2 = description" msgid "Waiting for job %1 “%2” to finish…" msgstr "" #: molequeue/molequeuedialog.cpp:86 msgid "Stop waiting" msgstr "" #: molequeue/molequeuedialog.cpp:105 msgid "Fetching completed job information…" msgstr "" #: molequeue/molequeuedialog.cpp:117 msgid "Job Retrieval Timeout" msgstr "" #: molequeue/molequeuedialog.cpp:118 msgid "Avogadro timed out waiting for the finished job details from MoleQueue." msgstr "" #: molequeue/molequeuedialog.cpp:127 msgid "Error Submitting Job" msgstr "" #: molequeue/molequeuedialog.cpp:128 #, qt-format msgctxt "%1 = error" msgid "The job has been rejected by MoleQueue: %1" msgstr "" #: molequeue/molequeuedialog.cpp:195 molequeue/molequeuewidget.cpp:141 msgid "No program selected." msgstr "" #: molequeue/molequeuedialog.cpp:196 molequeue/molequeuewidget.cpp:142 msgid "Please select the target program from the \"Queue and Program\" list." msgstr "" #: molequeue/molequeuewidget.cpp:97 msgid "Client failed to submit job to MoleQueue." msgstr "" #: molequeue/molequeuewidget.cpp:150 msgid "Internal error." msgstr "" #: molequeue/molequeuewidget.cpp:151 msgid "Unable to resolve program selection. This is a bug." msgstr "" #: qtgui/backgroundfileformat.cpp:29 qtgui/backgroundfileformat.cpp:54 msgid "No molecule set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:32 qtgui/backgroundfileformat.cpp:57 msgid "No Io::FileFormat set in BackgroundFileFormat!" msgstr "" #: qtgui/backgroundfileformat.cpp:35 qtgui/backgroundfileformat.cpp:60 msgid "No file name set in BackgroundFileFormat!" msgstr "" #: qtgui/containerwidget.cpp:29 msgid "Split Horizontal" msgstr "" #: qtgui/containerwidget.cpp:32 msgid "Split Vertical" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:19 qtplugins/noncovalent/noncovalent.h:53 msgid "Hydrogen" msgstr "Hydrogen (氫)" #: qtgui/elementtranslator.cpp:22 msgid "Helium" msgstr "Helium (氦)" #: qtgui/elementtranslator.cpp:25 msgid "Lithium" msgstr "Lithium (鋰)" #: qtgui/elementtranslator.cpp:28 msgid "Beryllium" msgstr "Beryllium (鈹)" #: qtgui/elementtranslator.cpp:31 msgid "Boron" msgstr "Boron (硼)" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:34:1959 msgid "Carbon" msgstr "Carbon (碳)" #: qtgui/elementtranslator.cpp:37 msgid "Nitrogen" msgstr "Nitrogen (氮)" #: qtgui/elementtranslator.cpp:40 msgid "Oxygen" msgstr "Oxygen (氧)" #: qtgui/elementtranslator.cpp:43 msgid "Fluorine" msgstr "Fluorine (氟)" #: qtgui/elementtranslator.cpp:46 msgid "Neon" msgstr "Neon (氖)" #: qtgui/elementtranslator.cpp:49 msgid "Sodium" msgstr "Sodium (鈉)" #: qtgui/elementtranslator.cpp:52 msgid "Magnesium" msgstr "Magnesium (鎂)" #: qtgui/elementtranslator.cpp:55 msgid "Aluminum" msgstr "Aluminum (鋁)" #: qtgui/elementtranslator.cpp:58 msgid "Silicon" msgstr "Silicon (矽)" #: qtgui/elementtranslator.cpp:61 msgid "Phosphorus" msgstr "Phosphorus (磷)" #: qtgui/elementtranslator.cpp:64 msgid "Sulfur" msgstr "Sulfur (硫)" #: qtgui/elementtranslator.cpp:67 msgid "Chlorine" msgstr "Chlorine (氯)" #: qtgui/elementtranslator.cpp:70 msgid "Argon" msgstr "Argon (氬)" #: qtgui/elementtranslator.cpp:73 msgid "Potassium" msgstr "Potassium (鉀)" #: qtgui/elementtranslator.cpp:76 msgid "Calcium" msgstr "Calcium (鈣)" #: qtgui/elementtranslator.cpp:79 msgid "Scandium" msgstr "Scandium (鈧)" #: qtgui/elementtranslator.cpp:82 msgid "Titanium" msgstr "Titanium (鈦)" #: qtgui/elementtranslator.cpp:85 msgid "Vanadium" msgstr "Vanadium (釩)" #: qtgui/elementtranslator.cpp:88 msgid "Chromium" msgstr "Chromium (鉻)" #: qtgui/elementtranslator.cpp:91 msgid "Manganese" msgstr "Manganese (錳)" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:94:1962 msgid "Iron" msgstr "Iron (鐵)" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, elementComboBox) #: qtgui/elementtranslator.cpp:97:1965 msgid "Cobalt" msgstr "Cobalt (鈷)" #: qtgui/elementtranslator.cpp:100 msgid "Nickel" msgstr "Nickel (鎳)" #: qtgui/elementtranslator.cpp:103 msgid "Copper" msgstr "Copper (銅)" #: qtgui/elementtranslator.cpp:106 msgid "Zinc" msgstr "Zinc (鋅)" #: qtgui/elementtranslator.cpp:109 msgid "Gallium" msgstr "Gallium (鎵)" #: qtgui/elementtranslator.cpp:112 msgid "Germanium" msgstr "Germanium (鍺)" #: qtgui/elementtranslator.cpp:115 msgid "Arsenic" msgstr "Arsenic (砷)" #: qtgui/elementtranslator.cpp:118 msgid "Selenium" msgstr "Selenium (硒)" #: qtgui/elementtranslator.cpp:121 msgid "Bromine" msgstr "Bromine (溴)" #: qtgui/elementtranslator.cpp:124 msgid "Krypton" msgstr "Krypton (氪)" #: qtgui/elementtranslator.cpp:127 msgid "Rubidium" msgstr "Rubidium (銣)" #: qtgui/elementtranslator.cpp:130 msgid "Strontium" msgstr "Strontium (鍶)" #: qtgui/elementtranslator.cpp:133 msgid "Yttrium" msgstr "Yttrium (釔)" #: qtgui/elementtranslator.cpp:136 msgid "Zirconium" msgstr "Zirconium (鋯)" #: qtgui/elementtranslator.cpp:139 msgid "Niobium" msgstr "Niobium (鈮)" #: qtgui/elementtranslator.cpp:142 msgid "Molybdenum" msgstr "Molybdenum (鉬)" #: qtgui/elementtranslator.cpp:145 msgid "Technetium" msgstr "Technetium (鎝)" #: qtgui/elementtranslator.cpp:148 msgid "Ruthenium" msgstr "Ruthenium (釕)" #: qtgui/elementtranslator.cpp:151 msgid "Rhodium" msgstr "Rhodium (銠)" #: qtgui/elementtranslator.cpp:154 msgid "Palladium" msgstr "Palladium (鈀)" #: qtgui/elementtranslator.cpp:157 msgid "Silver" msgstr "Silver (銀)" #: qtgui/elementtranslator.cpp:160 msgid "Cadmium" msgstr "Cadmium (鎘)" #: qtgui/elementtranslator.cpp:163 msgid "Indium" msgstr "Indium (銦)" #: qtgui/elementtranslator.cpp:166 msgid "Tin" msgstr "Tin (錫)" #: qtgui/elementtranslator.cpp:169 msgid "Antimony" msgstr "(銻)" #: qtgui/elementtranslator.cpp:172 msgid "Tellurium" msgstr "Tellurium (碲)" #: qtgui/elementtranslator.cpp:175 msgid "Iodine" msgstr "Iodine (碘)" #: qtgui/elementtranslator.cpp:178 msgid "Xenon" msgstr "Xenon (氙)" #: qtgui/elementtranslator.cpp:181 msgid "Cesium" msgstr "Cesium 銫" #: qtgui/elementtranslator.cpp:184 msgid "Barium" msgstr "Barium (鋇)" #: qtgui/elementtranslator.cpp:187 msgid "Lanthanum" msgstr "Lantanum (鑭)" #: qtgui/elementtranslator.cpp:190 msgid "Cerium" msgstr "Cerium (鈰)" #: qtgui/elementtranslator.cpp:193 msgid "Praseodymium" msgstr "Praseodymium (鐠)" #: qtgui/elementtranslator.cpp:196 msgid "Neodymium" msgstr "Neodymium (釹)" #: qtgui/elementtranslator.cpp:199 msgid "Promethium" msgstr "Promethium (鉕)" #: qtgui/elementtranslator.cpp:202 msgid "Samarium" msgstr "Samarium (釤)" #: qtgui/elementtranslator.cpp:205 msgid "Europium" msgstr "Europium (銪)" #: qtgui/elementtranslator.cpp:208 msgid "Gadolinium" msgstr "Gadolinium (釓)" #: qtgui/elementtranslator.cpp:211 msgid "Terbium" msgstr "Terbium (鋱)" #: qtgui/elementtranslator.cpp:214 msgid "Dysprosium" msgstr "Dysprosium (鏑)" #: qtgui/elementtranslator.cpp:217 msgid "Holmium" msgstr "Holmium (鈥)" #: qtgui/elementtranslator.cpp:220 msgid "Erbium" msgstr "Erbium (鉺)" #: qtgui/elementtranslator.cpp:223 msgid "Thulium" msgstr "Thulium (銩)" #: qtgui/elementtranslator.cpp:226 msgid "Ytterbium" msgstr "Ytterbium (鐿)" #: qtgui/elementtranslator.cpp:229 msgid "Lutetium" msgstr "Lutetium (鎦)" #: qtgui/elementtranslator.cpp:232 msgid "Hafnium" msgstr "Hafnium (鉿)" #: qtgui/elementtranslator.cpp:235 msgid "Tantalum" msgstr "Tantalum (鉭)" #: qtgui/elementtranslator.cpp:238 msgid "Tungsten" msgstr "Tungsten (鎢)" #: qtgui/elementtranslator.cpp:241 msgid "Rhenium" msgstr "Rhenium (錸)" #: qtgui/elementtranslator.cpp:244 msgid "Osmium" msgstr "Osmium (鋨)" #: qtgui/elementtranslator.cpp:247 msgid "Iridium" msgstr "Iridium (銥)" #: qtgui/elementtranslator.cpp:250 msgid "Platinum" msgstr "Platinum (鉑)" #: qtgui/elementtranslator.cpp:253 msgid "Gold" msgstr "Gold (金)" #: qtgui/elementtranslator.cpp:256 msgid "Mercury" msgstr "Mercury (汞)" #: qtgui/elementtranslator.cpp:259 msgid "Thallium" msgstr "Thallium (鉈)" #: qtgui/elementtranslator.cpp:262 msgid "Lead" msgstr "Lead (鉛)" #: qtgui/elementtranslator.cpp:265 msgid "Bismuth" msgstr "Bismuth (鉍)" #: qtgui/elementtranslator.cpp:268 msgid "Polonium" msgstr "Polonium (釙)" #: qtgui/elementtranslator.cpp:271 msgid "Astatine" msgstr "Astatine (砈)" #: qtgui/elementtranslator.cpp:274 msgid "Radon" msgstr "Radon (氡)" #: qtgui/elementtranslator.cpp:277 msgid "Francium" msgstr "Francium (鍅)" #: qtgui/elementtranslator.cpp:280 msgid "Radium" msgstr "Radium (鐳)" #: qtgui/elementtranslator.cpp:283 msgid "Actinium" msgstr "Actinium (錒)" #: qtgui/elementtranslator.cpp:286 msgid "Thorium" msgstr "Thorium (釷)" #: qtgui/elementtranslator.cpp:289 msgid "Protactinium" msgstr "Protactinium (鏷)" #: qtgui/elementtranslator.cpp:292 msgid "Uranium" msgstr "Uranium (鈾)" #: qtgui/elementtranslator.cpp:295 msgid "Neptunium" msgstr "Neptunium (錼)" #: qtgui/elementtranslator.cpp:298 msgid "Plutonium" msgstr "Plutonium (鈽)" #: qtgui/elementtranslator.cpp:301 msgid "Americium" msgstr "Americium (鋂)" #: qtgui/elementtranslator.cpp:304 msgid "Curium" msgstr "Curium (鋦)" #: qtgui/elementtranslator.cpp:307 msgid "Berkelium" msgstr "Berkelium (鉳)" #: qtgui/elementtranslator.cpp:310 msgid "Californium" msgstr "Californium (鉲)" #: qtgui/elementtranslator.cpp:313 msgid "Einsteinium" msgstr "Eisteinium (鑀)" #: qtgui/elementtranslator.cpp:316 msgid "Fermium" msgstr "Fermium (鐨)" #: qtgui/elementtranslator.cpp:319 msgid "Mendelevium" msgstr "Mendelevium (鍆)" #: qtgui/elementtranslator.cpp:322 msgid "Nobelium" msgstr "Nobelium (鍩)" #: qtgui/elementtranslator.cpp:325 msgid "Lawrencium" msgstr "Lawrencium (鐒)" #: qtgui/elementtranslator.cpp:328 msgid "Rutherfordium" msgstr "Rutherfordium (鑪)" #: qtgui/elementtranslator.cpp:331 msgid "Dubnium" msgstr "Dubnium (𨧀)" #: qtgui/elementtranslator.cpp:334 msgid "Seaborgium" msgstr "Seaborgium (金希)" #: qtgui/elementtranslator.cpp:337 msgid "Bohrium" msgstr "bohrium (𨨏)" #: qtgui/elementtranslator.cpp:340 msgid "Hassium" msgstr "Hassium (𨭆)" #: qtgui/elementtranslator.cpp:343 msgid "Meitnerium" msgstr "Meitnerium (䥑)" #: qtgui/elementtranslator.cpp:346 msgid "Darmstadtium" msgstr "Darmstadtium (鐽)" #: qtgui/elementtranslator.cpp:349 msgid "Roentgenium" msgstr "Roentgenium (錀)" #: qtgui/elementtranslator.cpp:352 msgid "Copernicium" msgstr "Copernicium (鎶)" #: qtgui/elementtranslator.cpp:355 msgid "Nihonium" msgstr "" #: qtgui/elementtranslator.cpp:358 msgid "Flerovium" msgstr "" #: qtgui/elementtranslator.cpp:361 msgid "Moscovium" msgstr "" #: qtgui/elementtranslator.cpp:364 msgid "Livermorium" msgstr "" #: qtgui/elementtranslator.cpp:367 msgid "Tennessine" msgstr "" #: qtgui/elementtranslator.cpp:370 msgid "Oganesson" msgstr "" #: qtgui/filebrowsewidget.cpp:23 #, fuzzy msgid "Browse" msgstr "瀏覽" #: qtgui/filebrowsewidget.cpp:96 msgid "Select file:" msgstr "" #: qtgui/filebrowsewidget.cpp:99 msgid "Select executable:" msgstr "" #: qtgui/fileformatdialog.cpp:52 msgid "Unable to find a suitable file reader for the selected file." msgstr "" #: qtgui/fileformatdialog.cpp:100 msgid "" "The file extension is missing, so the format cannot be determined. Do you " "want to add it?" msgstr "" #: qtgui/fileformatdialog.cpp:114 msgid "Unable to find a suitable file writer for the selected format." msgstr "" #: qtgui/fileformatdialog.cpp:163 msgctxt "File handlers" msgid "handlers" msgstr "" #: qtgui/fileformatdialog.cpp:164 msgctxt "e.g. file handlers that can 'handle' this file." msgid "handle" msgstr "" #: qtgui/fileformatdialog.cpp:168 msgctxt "File readers" msgid "readers" msgstr "" #: qtgui/fileformatdialog.cpp:169 msgctxt "e.g. file readers that can 'read' this file." msgid "read" msgstr "" #: qtgui/fileformatdialog.cpp:173 msgctxt "File writers" msgid "writers" msgstr "" #: qtgui/fileformatdialog.cpp:174 msgctxt "e.g. file writers that can 'write' this file." msgid "write" msgstr "" #: qtgui/fileformatdialog.cpp:179 #, qt-format msgid "Multiple %1 found that can %2 this format. Which should be used?" msgstr "" #: qtgui/fileformatdialog.cpp:279 #, fuzzy #| msgid "All Files" msgid "All files" msgstr "所以的檔案" #: qtgui/fileformatdialog.cpp:282 msgid "All supported formats" msgstr "" #: qtgui/interfacescript.cpp:227 #, qt-format msgid "Error reading molecule representation: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:295 #, qt-format msgid "%1 Message" msgstr "" #: qtgui/interfacescript.cpp:538 #, qt-format msgid "" "Error writing molecule representation to string: Unrecognized file format: %1" msgstr "" #: qtgui/interfacescript.cpp:546 #, qt-format msgid "Error writing molecule representation to string: %1" msgstr "" #: qtgui/jsonwidget.cpp:86 msgid "'userOptions' missing." msgstr "" #: qtgui/jsonwidget.cpp:117 #, qt-format msgid "Option '%1' does not refer to an object." msgstr "" #: qtgui/jsonwidget.cpp:124 #, qt-format msgid "'type' is not a string for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:131 #, qt-format msgid "Could not find option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:185 #, qt-format msgid "Tab %1" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:53 #. i18n: ectx: property (text), widget (QLineEdit, titleLine) #: qtgui/jsonwidget.cpp:208:691 msgid "Title" msgstr "標題" #: qtgui/jsonwidget.cpp:212 msgid "Filename Base" msgstr "" #: qtgui/jsonwidget.cpp:217 msgid "Processor Cores" msgstr "" #: qtgui/jsonwidget.cpp:222 msgid "Calculation Type" msgstr "" #: qtgui/jsonwidget.cpp:226 msgid "Theory" msgstr "理論" #: qtgui/jsonwidget.cpp:226 msgid "Basis" msgstr "Basis" #: qtgui/jsonwidget.cpp:231 qtgui/jsonwidget.cpp:235 msgid "Charge" msgstr "" #: qtgui/jsonwidget.cpp:232 qtgui/jsonwidget.cpp:237 msgid "Multiplicity" msgstr "" #: qtgui/jsonwidget.cpp:589 #, qt-format msgid "Error: value must be object for key '%1'." msgstr "" #: qtgui/jsonwidget.cpp:622 #, qt-format msgid "Unrecognized option type '%1' for option '%2'." msgstr "" #: qtgui/jsonwidget.cpp:631 qtgui/jsonwidget.cpp:666 qtgui/jsonwidget.cpp:687 #: qtgui/jsonwidget.cpp:709 qtgui/jsonwidget.cpp:730 qtgui/jsonwidget.cpp:752 #: qtgui/jsonwidget.cpp:773 #, qt-format msgid "Error setting default for option '%1'. Bad widget type." msgstr "" #: qtgui/jsonwidget.cpp:638 qtgui/jsonwidget.cpp:673 qtgui/jsonwidget.cpp:694 #: qtgui/jsonwidget.cpp:716 qtgui/jsonwidget.cpp:737 qtgui/jsonwidget.cpp:759 #: qtgui/jsonwidget.cpp:780 #, qt-format msgid "Error setting default for option '%1'. Bad default value:" msgstr "" #: qtgui/jsonwidget.cpp:652 #, qt-format msgid "" "Error setting default for option '%1'. Could not find valid combo entry " "index from value:" msgstr "" #: qtgui/jsonwidget.cpp:841 #, qt-format msgid "Unhandled widget in collectOptions for option '%1'." msgstr "" #: qtgui/jsonwidget.cpp:886 qtplugins/cp2kinput/cp2kinputdialog.cpp:455 #: qtplugins/gamessinput/gamessinputdialog.cpp:391 #, fuzzy msgid "[no molecule]" msgstr "[沒有設定分子]" #: qtgui/layermodel.cpp:85 #, qt-format msgid "Layer %1" msgstr "" #: qtgui/layermodel.cpp:136 qtplugins/ballandstick/ballandstick.h:28 msgid "Ball and Stick" msgstr "球與棒 (原子與鍵)" #: qtgui/layermodel.cpp:138 qtplugins/cartoons/cartoons.h:31 #, fuzzy msgctxt "protein ribbon / cartoon rendering" msgid "Cartoons" msgstr "卡通" #: qtgui/layermodel.cpp:140 qtplugins/closecontacts/closecontacts.h:31 msgctxt "rendering of non-covalent close contacts" msgid "Close Contacts" msgstr "" #: qtgui/layermodel.cpp:142 qtplugins/crystal/crystalscene.h:31 msgid "Crystal Lattice" msgstr "" #: qtgui/layermodel.cpp:144 qtplugins/dipole/dipole.h:29 msgid "Dipole Moment" msgstr "偶極距" #: qtgui/layermodel.cpp:146 qtplugins/force/force.h:28 msgid "Force" msgstr "力" #: qtgui/layermodel.cpp:148 qtplugins/label/label.h:25 #, fuzzy msgid "Labels" msgstr "標記" #: qtgui/layermodel.cpp:150 qtplugins/licorice/licorice.h:31 msgctxt "stick / licorice rendering" msgid "Licorice" msgstr "" #: qtgui/layermodel.cpp:152 qtplugins/meshes/meshes.h:29 #: qtplugins/surfaces/orbitals.cpp:525 qtplugins/surfaces/surfaces.cpp:842 msgid "Meshes" msgstr "" #: qtgui/layermodel.cpp:154 qtplugins/noncovalent/noncovalent.h:30 msgid "Non-Covalent" msgstr "" #: qtgui/layermodel.cpp:156 #, fuzzy #| msgid "QTAIM" msgctxt "quantum theory of atoms in molecules" msgid "QTAIM" msgstr "QTAIM" #: qtgui/layermodel.cpp:158 qtplugins/symmetry/symmetryscene.h:33 msgid "Symmetry Elements" msgstr "" #: qtgui/layermodel.cpp:160 qtplugins/surfaces/surfacedialog.cpp:25 #: qtplugins/vanderwaals/vanderwaals.h:29 msgid "Van der Waals" msgstr "凡得瓦" #: qtgui/layermodel.cpp:162 qtplugins/wireframe/wireframe.h:28 msgid "Wireframe" msgstr "網架" #: qtgui/moleculemodel.cpp:92 msgid "Untitled" msgstr "未命名" #: qtgui/multiviewwidget.cpp:191 msgid "Create a new view" msgstr "" #: qtgui/periodictableview.cpp:31 msgid "Periodic Table" msgstr "週期表" #: qtgui/pythonscript.cpp:104 qtgui/pythonscript.cpp:192 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for start (%3)." msgstr "" #: qtgui/pythonscript.cpp:114 qtgui/pythonscript.cpp:202 #, qt-format msgid "" "Error running script '%1 %2': failed to write to stdin (len=%3, wrote %4 " "bytes, QProcess error: %5)." msgstr "" #: qtgui/pythonscript.cpp:127 #, qt-format msgid "Error running script '%1 %2': Timed out waiting for finish (%3)." msgstr "" #: qtgui/pythonscript.cpp:136 #, qt-format msgid "" "Error running script '%1 %2': Abnormal exit status %3 (%4: %5)\n" "\n" "Output:\n" "%6" msgstr "" #: qtgui/pythonscript.cpp:145 #, qt-format msgid "Warning '%1'" msgstr "" #: qtgui/pythonscript.cpp:267 msgid "Script failed to start." msgstr "" #: qtgui/pythonscript.cpp:270 msgid "Script crashed." msgstr "" #: qtgui/pythonscript.cpp:273 msgid "Script timed out." msgstr "" #: qtgui/pythonscript.cpp:276 msgid "Read error." msgstr "" #: qtgui/pythonscript.cpp:279 msgid "Write error." msgstr "" #: qtgui/pythonscript.cpp:283 msgid "Unknown error." msgstr "" #: qtgui/rwlayermanager.cpp:32 qtgui/rwlayermanager.cpp:106 #: qtgui/rwlayermanager.cpp:132 msgid "Modify Layers" msgstr "" #: qtgui/rwlayermanager.cpp:196 msgid "Remove Layer" msgstr "" #: qtgui/rwlayermanager.cpp:203 msgid "Remove Layer Info" msgstr "" #: qtgui/rwlayermanager.cpp:212 msgid "Add Layer" msgstr "" #: qtgui/rwlayermanager.cpp:215 msgid "Add Layer Info" msgstr "" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:39 #. i18n: ectx: property (text), widget (QLabel, label) #: qtgui/rwlayermanager.cpp:222 qtgui/rwlayermanager.cpp:225 #: qtplugins/select/select.cpp:564 #: qtplugins/selectiontool/selectiontool.cpp:263:1640 msgid "Change Layer" msgstr "" #: qtgui/rwmolecule.cpp:39 qtgui/rwmolecule.cpp:48 msgid "Add Atom" msgstr "新增原子" #: qtgui/rwmolecule.cpp:70 qtgui/rwmolecule.cpp:85 #: qtplugins/editor/editor.cpp:133 msgid "Remove Atom" msgstr "移除原子" #: qtgui/rwmolecule.cpp:95 msgid "Clear Atoms" msgstr "" #. i18n: file: qtplugins/editor/editortoolwidget.ui:43 #. i18n: ectx: property (text), widget (QCheckBox, adjustHydrogens) #: qtgui/rwmolecule.cpp:107 qtgui/rwmolecule.cpp:115:484 msgid "Adjust Hydrogens" msgstr "自動加上氫原子" #: qtgui/rwmolecule.cpp:143 qtplugins/alchemy/alchemy.cpp:74 #, fuzzy msgid "Change Elements" msgstr "變更元素" #: qtgui/rwmolecule.cpp:155 msgid "Change Element" msgstr "變更元素" #: qtgui/rwmolecule.cpp:236 msgid "Change Atom Hybridization" msgstr "" #: qtgui/rwmolecule.cpp:248 msgid "Change Atom Formal Charge" msgstr "" #: qtgui/rwmolecule.cpp:260 msgid "Change Atom Color" msgstr "" #: qtgui/rwmolecule.cpp:272 msgid "Change Atom Layer" msgstr "" #: qtgui/rwmolecule.cpp:288 msgid "Add Bond" msgstr "新增鍵" #: qtgui/rwmolecule.cpp:314 msgid "Removed Bond" msgstr "" #: qtgui/rwmolecule.cpp:321 #, fuzzy msgid "Clear Bonds" msgstr "刪除鍵" #: qtgui/rwmolecule.cpp:335 #, fuzzy msgid "Set Bond Orders" msgstr "鍵的級數" #: qtgui/rwmolecule.cpp:347 msgid "Change Bond Order" msgstr "改變鍵級" #: qtgui/rwmolecule.cpp:369 msgid "Update Bonds" msgstr "更新鍵" #: qtgui/rwmolecule.cpp:388 msgid "Update Bond" msgstr "" #: qtgui/rwmolecule.cpp:407 msgid "Add Unit Cell…" msgstr "" #: qtgui/rwmolecule.cpp:419 #, fuzzy msgid "Remove Unit Cell" msgstr "移除單位晶格" #: qtgui/rwmolecule.cpp:483 msgid "Edit Unit Cell" msgstr "" #: qtgui/rwmolecule.cpp:499 msgid "Wrap Atoms to Cell" msgstr "" #: qtgui/rwmolecule.cpp:522 msgid "Scale Cell Volume" msgstr "" #: qtgui/rwmolecule.cpp:542 #, fuzzy msgid "Build Super Cell" msgstr "超級晶格" #: qtgui/rwmolecule.cpp:566 msgid "Niggli Reduction" msgstr "" #: qtgui/rwmolecule.cpp:588 msgid "Rotate to Standard Orientation" msgstr "" #: qtgui/rwmolecule.cpp:613 qtplugins/spacegroup/spacegroup.cpp:56 msgid "Reduce to Primitive" msgstr "" #: qtgui/rwmolecule.cpp:638 qtplugins/spacegroup/spacegroup.cpp:62 #: qtplugins/spacegroup/spacegroup.cpp:259 msgid "Conventionalize Cell" msgstr "" #: qtgui/rwmolecule.cpp:663 qtplugins/spacegroup/spacegroup.cpp:284 msgid "Symmetrize Cell" msgstr "" #: qtgui/rwmolecule.cpp:682 msgid "Fill Unit Cell" msgstr "填入單位晶胞" #: qtgui/rwmolecule.cpp:702 msgid "Reduce Cell to Asymmetric Unit" msgstr "" #: qtgui/rwmolecule.h:214 #, fuzzy msgid "Change Atom Positions" msgstr "改變原子位置" #: qtgui/rwmolecule.h:224 #, fuzzy msgid "Change Atom Position" msgstr "改變原子位置" #: qtgui/rwmolecule.h:242 msgid "Change Atom Label" msgstr "" #: qtgui/rwmolecule.h:260 msgid "Change Bond Label" msgstr "" #: qtgui/rwmolecule.h:266 msgid "Change Selection" msgstr "" #: qtgui/rwmolecule_undo.h:31 msgid "Modify Molecule" msgstr "" #: qtgui/scenepluginmodel.cpp:92 msgid "Settings" msgstr "設定" #: qtgui/scriptloader.cpp:33 #, qt-format msgid "Cannot load script %1" msgstr "" #: qtgui/scriptloader.cpp:69 #, qt-format msgid "Checking for %1 scripts in path %2" msgstr "" #: qtplugins/3dmol/3dmol.cpp:37 msgid "3DMol HTML Block." msgstr "" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/fetchpdb/fetchpdb.cpp:41 #: qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&File" msgstr "檔案" #: qtplugins/3dmol/3dmol.cpp:47 qtplugins/ply/ply.cpp:46 #: qtplugins/povray/povray.cpp:46 qtplugins/svg/svg.cpp:45 #: qtplugins/vrml/vrml.cpp:46 msgid "&Export" msgstr "&匯出" #: qtplugins/3dmol/3dmol.h:42 msgid "ThreeDMol" msgstr "" #: qtplugins/alchemy/alchemy.cpp:25 msgid "Change Elements…" msgstr "" #: qtplugins/alchemy/alchemy.cpp:42 qtplugins/bonding/bonding.cpp:61 #: qtplugins/centroid/centroid.cpp:45 #: qtplugins/coordinateeditor/coordinateeditor.cpp:34 #: qtplugins/customelements/customelements.cpp:42 #: qtplugins/hydrogens/hydrogens.cpp:59 qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Build" msgstr "建立" #. i18n: file: qtplugins/editor/editortoolwidget.ui:23 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, elementLabel) #: qtplugins/alchemy/alchemy.cpp:74:478 rc.cpp:1953 msgid "Element:" msgstr "元素：" #: qtplugins/alchemy/alchemy.h:31 msgid "Alchemy" msgstr "" #: qtplugins/alchemy/alchemy.h:35 msgid "Change elements of atoms." msgstr "" #: qtplugins/aligntool/aligntool.cpp:49 qtplugins/aligntool/aligntool.cpp:92 msgid "Align" msgstr "排列" #: qtplugins/aligntool/aligntool.cpp:51 msgid "" "Align Molecules\n" "\n" "Left Mouse: \tSelect up to two atoms.\n" "\tThe first atom is centered at the origin.\n" "\tThe second atom is aligned to the selected axis.\n" "Right Mouse: \tReset alignment.\n" "Double-Click: \tCenter the atom at the origin." msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:262 #. i18n: ectx: property (text), widget (QLabel, label_6) #: qtplugins/aligntool/aligntool.cpp:79:1691 msgid "Axis:" msgstr "軸：" #: qtplugins/aligntool/aligntool.cpp:156 msgid "Align at Origin" msgstr "" #: qtplugins/aligntool/aligntool.cpp:192 msgid "Align to Axis" msgstr "" #: qtplugins/aligntool/aligntool.cpp:308 msgid "Center the atom at the origin." msgstr "" #: qtplugins/aligntool/aligntool.cpp:311 msgid "Rotate the molecule to align the atom to the specified axis." msgstr "" #: qtplugins/aligntool/aligntool.h:29 msgid "Align tool" msgstr "" #: qtplugins/aligntool/aligntool.h:32 msgid "Align molecules to a Cartesian axis" msgstr "將分子排到直角座標的軸" #: qtplugins/apbs/apbs.cpp:32 msgid "Run APBS…" msgstr "" #: qtplugins/apbs/apbs.cpp:37 msgid "Open Output File…" msgstr "" #: qtplugins/apbs/apbs.cpp:50 qtplugins/cp2kinput/cp2kinput.cpp:49 #: qtplugins/gamessinput/gamessinput.cpp:50 #: qtplugins/lammpsinput/lammpsinput.cpp:48 #: qtplugins/openmminput/openmminput.cpp:46 #: qtplugins/quantuminput/quantuminput.cpp:64 msgid "&Input" msgstr "" #: qtplugins/apbs/apbs.cpp:50 msgid "&APBS" msgstr "" #: qtplugins/apbs/apbs.cpp:62 qtplugins/cp2kinput/cp2kinput.cpp:69 #: qtplugins/gamessinput/gamessinput.cpp:70 #: qtplugins/quantuminput/quantuminput.cpp:88 msgid "Open Output File" msgstr "" #: qtplugins/apbs/apbs.cpp:63 msgid "OpenDX File (*.dx)" msgstr "" #: qtplugins/apbs/apbs.cpp:116 #, fuzzy msgid "IO Error" msgstr "錯誤" #: qtplugins/apbs/apbs.cpp:117 #, qt-format msgid "Error reading structure file (%1)." msgstr "" #: qtplugins/apbs/apbs.cpp:137 qtplugins/apbs/apbs.cpp:144 msgid "OpenDX Error" msgstr "" #: qtplugins/apbs/apbs.cpp:138 #, qt-format msgid "Error reading OpenDX file: %1" msgstr "" #: qtplugins/apbs/apbs.cpp:145 msgid "Error reading OpenDX file: No cube found" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsDialog) #: qtplugins/apbs/apbs.h:30:96 msgid "APBS" msgstr "" #: qtplugins/apbs/apbs.h:33 msgid "Interact with APBS utilities." msgstr "" #: qtplugins/apbs/apbsdialog.cpp:79 msgid "Open PDB File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:80 msgid "PDB Files (*.pdb)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:90 msgid "Open PQR File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:91 msgid "PQR Files (*.pqr)" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:131 qtplugins/apbs/apbsdialog.cpp:141 #: qtplugins/commandscripts/command.cpp:139 #: qtplugins/cp2kinput/cp2kinput.cpp:85 #: qtplugins/gamessinput/gamessinput.cpp:86 #: qtplugins/insertfragment/insertfragment.cpp:107 #: qtplugins/lammpsinput/lammpsinput.cpp:64 #: qtplugins/molecularproperties/molecularview.cpp:158 #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/openbabel/openbabel.cpp:208 qtplugins/openbabel/openbabel.cpp:217 #: qtplugins/openbabel/openbabel.cpp:227 qtplugins/openbabel/openbabel.cpp:369 #: qtplugins/openbabel/openbabel.cpp:397 qtplugins/openbabel/openbabel.cpp:422 #: qtplugins/openbabel/openbabel.cpp:431 qtplugins/openbabel/openbabel.cpp:485 #: qtplugins/openbabel/openbabel.cpp:535 qtplugins/openbabel/openbabel.cpp:548 #: qtplugins/openbabel/openbabel.cpp:567 qtplugins/openbabel/openbabel.cpp:576 #: qtplugins/openbabel/openbabel.cpp:636 qtplugins/openbabel/openbabel.cpp:686 #: qtplugins/openbabel/openbabel.cpp:699 qtplugins/openbabel/openbabel.cpp:734 #: qtplugins/openbabel/openbabel.cpp:748 qtplugins/openbabel/openbabel.cpp:777 #: qtplugins/openbabel/openbabel.cpp:789 qtplugins/openbabel/openbabel.cpp:835 #: qtplugins/openbabel/openbabel.cpp:885 qtplugins/openbabel/openbabel.cpp:927 #: qtplugins/openbabel/openbabel.cpp:959 #: qtplugins/openmminput/openmminput.cpp:62 #: qtplugins/plugindownloader/downloaderwidget.cpp:99 #: qtplugins/plugindownloader/downloaderwidget.cpp:105 #: qtplugins/propertytables/propertyview.cpp:260 #: qtplugins/propertytables/propertyview.cpp:293 #: qtplugins/quantuminput/quantuminput.cpp:104 msgid "Error" msgstr "錯誤" #: qtplugins/apbs/apbsdialog.cpp:132 #, qt-format msgid "Error running APBS: %1" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:141 msgid "Please specify PDB file" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "Save APBS Input File" msgstr "" #: qtplugins/apbs/apbsdialog.cpp:174 msgid "APBS Input (*.in)" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ApbsOutputDialog) #: qtplugins/apbs/apbsdialog.cpp:178:156 #, fuzzy msgid "Success" msgstr "成功了" #: qtplugins/apbs/apbsdialog.cpp:179 #, qt-format msgid "Input file written to '%1'" msgstr "" #: qtplugins/applycolors/applycolors.cpp:46 #: qtplugins/applycolors/applycolors.cpp:67 msgid "By Custom Color…" msgstr "自訂顏色…" #: qtplugins/applycolors/applycolors.cpp:51 msgid "By Atomic Index…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:56 msgid "By Distance…" msgstr "" #: qtplugins/applycolors/applycolors.cpp:61 #, fuzzy msgid "By Element" msgstr "元素" #: qtplugins/applycolors/applycolors.cpp:72 msgid "By Chain" msgstr "" #: qtplugins/applycolors/applycolors.cpp:77 msgid "By Partial Charge…" msgstr "部份電荷…" #: qtplugins/applycolors/applycolors.cpp:82 #, fuzzy msgid "By Secondary Structure" msgstr "二級結構" #: qtplugins/applycolors/applycolors.cpp:87 #, fuzzy msgid "By Amino Acid" msgstr "胺基酸" #: qtplugins/applycolors/applycolors.cpp:92 msgid "By Shapely Scheme" msgstr "" #: qtplugins/applycolors/applycolors.cpp:107 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:762 msgctxt "colormap" msgid "Parula" msgstr "" #: qtplugins/applycolors/applycolors.cpp:109 #: qtplugins/surfaces/surfaces.cpp:764 msgctxt "colormap" msgid "Heat" msgstr "" #: qtplugins/applycolors/applycolors.cpp:111 #: qtplugins/surfaces/surfaces.cpp:766 msgctxt "colormap" msgid "Hot" msgstr "" #: qtplugins/applycolors/applycolors.cpp:113 #: qtplugins/surfaces/surfaces.cpp:768 msgctxt "colormap" msgid "Gray" msgstr "" #: qtplugins/applycolors/applycolors.cpp:115 #: qtplugins/applycolors/applycolors.cpp:210 #: qtplugins/applycolors/applycolors.cpp:308 #: qtplugins/surfaces/surfaces.cpp:770 msgctxt "colormap" msgid "Magma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:117 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:772 msgctxt "colormap" msgid "Inferno" msgstr "" #: qtplugins/applycolors/applycolors.cpp:119 #: qtplugins/applycolors/applycolors.cpp:211 #: qtplugins/applycolors/applycolors.cpp:309 #: qtplugins/surfaces/surfaces.cpp:774 msgctxt "colormap" msgid "Plasma" msgstr "" #: qtplugins/applycolors/applycolors.cpp:121 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:776 msgctxt "colormap" msgid "Viridis" msgstr "" #: qtplugins/applycolors/applycolors.cpp:123 #: qtplugins/applycolors/applycolors.cpp:212 #: qtplugins/applycolors/applycolors.cpp:310 #: qtplugins/surfaces/surfaces.cpp:778 msgctxt "colormap" msgid "Cividis" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:50 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:174 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:125 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:780:183 rc.cpp:1824 #, fuzzy #| msgid "Spectra" msgctxt "colormap" msgid "Spectral" msgstr "光譜" #. i18n: file: qtplugins/applycolors/chargedialog.ui:45 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:169 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:127 #: qtplugins/surfaces/surfaces.cpp:782:180 rc.cpp:1821 msgctxt "colormap" msgid "Coolwarm" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:35 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:159 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:129 #: qtplugins/surfaces/surfaces.cpp:784:174 rc.cpp:1815 msgctxt "colormap" msgid "Balance" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:40 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:164 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:131 #: qtplugins/surfaces/surfaces.cpp:786:177 rc.cpp:1818 msgctxt "colormap" msgid "Blue-DarkRed" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:55 #. i18n: ectx: property (text), item, widget (QComboBox, colorMapCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:179 #. i18n: ectx: property (text), item, widget (QComboBox, colormapCombo) #: qtplugins/applycolors/applycolors.cpp:133 #: qtplugins/applycolors/applycolors.cpp:213 #: qtplugins/applycolors/applycolors.cpp:311 #: qtplugins/surfaces/surfaces.cpp:788:186 rc.cpp:1827 msgctxt "colormap" msgid "Turbo" msgstr "" #: qtplugins/applycolors/applycolors.cpp:141 msgid "Apply color schemes to atoms and residues." msgstr "" #: qtplugins/applycolors/applycolors.cpp:152 #: qtplugins/applycolors/applycolors.cpp:154 qtplugins/focus/focus.cpp:42 #: qtplugins/overlayaxes/overlayaxes.cpp:265 #: qtplugins/resetview/resetview.cpp:76 msgid "&View" msgstr "檢視" #: qtplugins/applycolors/applycolors.cpp:152 #, fuzzy msgid "Color Atoms" msgstr "顏色" #: qtplugins/applycolors/applycolors.cpp:154 #, fuzzy msgid "Color Residues" msgstr "依照殘基上顏色" #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314 msgid "Select Colormap" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, colormapLabel) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_7) #: qtplugins/applycolors/applycolors.cpp:216 #: qtplugins/applycolors/applycolors.cpp:314:171 rc.cpp:1812 msgid "Colormap:" msgstr "" #: qtplugins/applycolors/applycolors.h:29 msgid "ApplyColors" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:107 msgid "Atom scale" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:116 msgid "Bond scale" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:96 #. i18n: ectx: property (text), widget (QLabel, label_5) #: qtplugins/ballandstick/ballandstick.cpp:125:222 msgid "Opacity" msgstr "" #: qtplugins/ballandstick/ballandstick.cpp:129 #: qtplugins/wireframe/wireframe.cpp:100 #, fuzzy msgid "Show multiple bonds" msgstr "顯示多個鍵" #: qtplugins/ballandstick/ballandstick.cpp:135 #: qtplugins/wireframe/wireframe.cpp:106 #, fuzzy msgid "Show hydrogens" msgstr "显示氫" #: qtplugins/ballandstick/ballandstick.h:32 msgid "Render atoms as spheres and bonds as cylinders." msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:117 msgctxt "control-key 7" msgid "Ctrl+7" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:118 #, fuzzy msgid "Bond-Centric Manipulation" msgstr "鍵中心調整" #: qtplugins/bondcentrictool/bondcentrictool.cpp:120 #, qt-format msgid "" "Bond Centric Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" "Double-Click: \tReset the view.\n" "\n" "Left Click & Drag on a Bond to set the Manipulation Plane:\n" "Left Click & Drag one of the Atoms in the Bond to change the angle\n" "Right Click & Drag one of the Atoms in the Bond to change the length" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:781 #: qtplugins/bondcentrictool/bondcentrictool.cpp:869 #: qtplugins/measuretool/measuretool.cpp:208 #: qtplugins/measuretool/measuretool.cpp:216 #: qtplugins/measuretool/measuretool.cpp:217 #, qt-format msgid "%L1°" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.cpp:803 #: qtplugins/editor/editor.cpp:270 qtplugins/measuretool/measuretool.cpp:224 #: qtplugins/measuretool/measuretool.cpp:225 #: qtplugins/measuretool/measuretool.cpp:227 #, qt-format msgid "%L1 Å" msgstr "" #: qtplugins/bondcentrictool/bondcentrictool.h:169 #, fuzzy msgid "Bond centric manipulation tool." msgstr "鍵中心調整" #: qtplugins/bondcentrictool/bondcentrictool.h:174 msgid "" "Tool used to edit molecular geometry by changing bond lengths and angles." msgstr "" #: qtplugins/bonding/bonding.cpp:28 msgid "Bond Atoms" msgstr "" #: qtplugins/bonding/bonding.cpp:29 #, fuzzy msgid "Perceive Bond Orders" msgstr "理解鍵嗎" #: qtplugins/bonding/bonding.cpp:30 msgid "Remove Bonds" msgstr "" #: qtplugins/bonding/bonding.cpp:31 msgid "Configure Bonding…" msgstr "" #: qtplugins/bonding/bonding.cpp:32 #, fuzzy #| msgid "Fix Selected Atoms" msgid "Bond Selected Atoms" msgstr "鍵所選的原子" #: qtplugins/bonding/bonding.cpp:61 #: qtplugins/propertytables/propertymodel.cpp:543 #, fuzzy msgid "Bond" msgstr "鍵" #: qtplugins/bonding/bonding.cpp:72 msgid "Remove bonds from all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:74 msgid "Create bonds between all or selected atoms." msgstr "" #: qtplugins/bonding/bonding.cpp:75 #, fuzzy msgid "Perceive bond orders." msgstr "理解鍵嗎" #: qtplugins/bonding/bonding.h:30 msgid "Bonding" msgstr "" #: qtplugins/bonding/bonding.h:34 msgid "Perform bonding operations." msgstr "" #: qtplugins/cartoons/cartoons.cpp:92 #, fuzzy msgctxt "protein rendering style" msgid "Backbone" msgstr "骨幹" #: qtplugins/cartoons/cartoons.cpp:93 msgctxt "protein rendering style" msgid "Trace" msgstr "" #: qtplugins/cartoons/cartoons.cpp:94 msgctxt "protein rendering style" msgid "Tube" msgstr "" #: qtplugins/cartoons/cartoons.cpp:95 #, fuzzy msgctxt "protein rendering style" msgid "Ribbon" msgstr "帶狀" #: qtplugins/cartoons/cartoons.cpp:96 #, fuzzy msgctxt "protein rendering style" msgid "Simple Cartoon" msgstr "卡通" #: qtplugins/cartoons/cartoons.cpp:97 #, fuzzy msgctxt "protein rendering style" msgid "Cartoon" msgstr "卡通" #: qtplugins/cartoons/cartoons.cpp:98 msgctxt "protein rendering style" msgid "Rope" msgstr "" #: qtplugins/cartoons/cartoons.h:36 msgid "Display of biomolecule ribbons / cartoons." msgstr "" #: qtplugins/centroid/centroid.cpp:21 msgid "Add Centroid" msgstr "" #: qtplugins/centroid/centroid.cpp:22 msgid "Add Center of Mass" msgstr "" #: qtplugins/centroid/centroid.cpp:24 msgctxt "add a point normal to the plane of the molecule" msgid "Add Perpendicular" msgstr "" #: qtplugins/centroid/centroid.h:24 msgid "Centroid" msgstr "" #: qtplugins/centroid/centroid.h:28 msgid "Add centroids and center-of-mass." msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:41 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, toleranceSpinBox) #. i18n: file: qtplugins/bonding/bondingdialog.ui:60 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, minimumSpinBox) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:40 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, a) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:72 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, b) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:104 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, c) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:25 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:44 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yTranslateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:63 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zTranslateSpinBox) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:30 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxRadius) #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:59 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_step) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:100 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_wavelength) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:265 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, resolutionDoubleSpinBox) #: qtplugins/closecontacts/closecontacts.cpp:212 #: qtplugins/noncovalent/noncovalent.cpp:351:201 rc.cpp:204 rc.cpp:406 msgid " Å" msgstr "" #: qtplugins/closecontacts/closecontacts.cpp:229 #: qtplugins/noncovalent/noncovalent.cpp:369 #, fuzzy msgid "Maximum distance:" msgstr "最大距離:" #: qtplugins/closecontacts/closecontacts.cpp:230 #: qtplugins/crystal/crystalscene.cpp:174 #: qtplugins/noncovalent/noncovalent.cpp:370 #: qtplugins/wireframe/wireframe.cpp:96 msgid "Line width:" msgstr "" #: qtplugins/closecontacts/closecontacts.h:36 msgid "Render close contacts between atoms." msgstr "" #: qtplugins/closecontacts/closecontacts.h:54 msgid "Contact" msgstr "" #: qtplugins/closecontacts/closecontacts.h:55 msgid "Salt Bridge" msgstr "" #: qtplugins/closecontacts/closecontacts.h:56 msgid "Repulsive" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:66 msgid "Edit Color Opacity Map…" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.cpp:84 #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #: qtplugins/configurepython/configurepython.cpp:99 #: qtplugins/forcefield/forcefield.cpp:152 #: qtplugins/forcefield/forcefield.cpp:154 #: qtplugins/openbabel/openbabel.cpp:112 #: qtplugins/plugindownloader/plugindownloader.cpp:41 #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Extensions" msgstr "&延伸功能" #: qtplugins/coloropacitymap/coloropacitymap.h:24 msgid "ColorOpacityMap" msgstr "" #: qtplugins/coloropacitymap/coloropacitymap.h:59 msgid "Edit color opacity maps, primarily for volume rendering." msgstr "" #: qtplugins/commandscripts/command.cpp:64 #: qtplugins/commandscripts/command.cpp:83 #, fuzzy msgid "Scripts" msgstr "程式語法" #: qtplugins/commandscripts/command.cpp:140 #: qtplugins/cp2kinput/cp2kinput.cpp:86 #: qtplugins/gamessinput/gamessinput.cpp:87 #: qtplugins/lammpsinput/lammpsinput.cpp:65 #: qtplugins/openmminput/openmminput.cpp:63 #: qtplugins/quantuminput/quantuminput.cpp:105 #, qt-format msgid "" "Error reading output file '%1':\n" "%2" msgstr "" #: qtplugins/commandscripts/command.cpp:229 #, qt-format msgid "Processing %1" msgstr "" #: qtplugins/commandscripts/command.cpp:284 msgid "Set path to Python interpreter:" msgstr "" #: qtplugins/commandscripts/command.cpp:286 msgid "" "Select the python interpreter to run external scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #: qtplugins/commandscripts/command.h:43 msgid "Command scripts" msgstr "" #: qtplugins/commandscripts/command.h:47 msgid "Run external script commands" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CondaDialog) #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ConfigurePythonDialog) #: qtplugins/configurepython/configurepython.cpp:32:225 rc.cpp:240 msgid "Python Settings…" msgstr "" #: qtplugins/configurepython/configurepython.cpp:46 msgid "Install Python" msgstr "" #: qtplugins/configurepython/configurepython.cpp:47 msgid "" "Python is used for many Avogadro features. Do you want to download Python?" msgstr "" #: qtplugins/configurepython/configurepython.h:26 msgid "ConfigurePython" msgstr "" #: qtplugins/configurepython/configurepython.h:29 msgid "Configure Python environments." msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) #: qtplugins/configurepython/configurepythondialog.cpp:203 #: qtplugins/editor/editortoolwidget.cpp:129 #: qtplugins/templatetool/templatetoolwidget.cpp:321 #: qtplugins/templatetool/templatetoolwidget.cpp:334 #: qtplugins/templatetool/templatetoolwidget.cpp:342 #: qtplugins/templatetool/templatetoolwidget.cpp:350 #: qtplugins/templatetool/templatetoolwidget.cpp:358 #: qtplugins/templatetool/templatetoolwidget.cpp:366 #: qtplugins/templatetool/templatetoolwidget.cpp:429:2097 msgid "Other…" msgstr "其他…" #: qtplugins/coordinateeditor/coordinateeditor.cpp:17 msgid "Atomic &Coordinate Editor…" msgstr "直角坐標編輯器（&C）…" #: qtplugins/coordinateeditor/coordinateeditor.h:28 #, fuzzy msgid "Coordinate editor" msgstr "坐標編輯器" #: qtplugins/coordinateeditor/coordinateeditor.h:32 msgid "Text editing of atomic coordinates." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:228 msgid "Overwrite changes?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:229 msgid "" "The text document has been modified. Would you like to discard your changes " "and revert to the current molecule?" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:356 msgid "Too few entries on line." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:372 msgid "Invalid element name." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:374 #, fuzzy msgid "Element name." msgstr "元素名稱" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:386 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:409 msgid "Invalid element symbol." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:388 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:411 #, fuzzy msgid "Element symbol." msgstr "元素符號" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:402 msgid "Invalid atom label." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:420 msgid "Invalid atomic index." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:422 #, fuzzy msgid "Atomic index." msgstr "原子指數" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:432 msgid "Invalid atomic number." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:434 #, fuzzy msgid "Atomic number." msgstr "原子數" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:443 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:454 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:465 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:476 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:487 #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:498 msgid "Invalid coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:445 #, fuzzy msgid "X coordinate." msgstr "X坐標" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:456 #, fuzzy msgid "Y coordinate." msgstr "Y坐標" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:467 #, fuzzy msgid "Z coordinate." msgstr "Z坐標" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:478 msgid "'a' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:489 msgid "'b' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:500 msgid "'c' lattice coordinate." msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:584 msgid "Error applying geometry" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:585 msgid "" "Could not parse geometry specification. Fix the highlighted errors and try " "again.\n" "\n" "(Hint: Hold the mouse over red text for a description of the error.)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:620 msgid "Edit Atomic Coordinates" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:254 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:390 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:638 #: qtplugins/label/label.cpp:190 qtplugins/label/label.cpp:213:1854 msgid "Custom" msgstr "自訂" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:639 msgid "XYZ format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:640 msgid "XYZ format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:641 msgid "XYZ format (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:642 msgid "Lattice coordinates (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:643 msgid "Lattice coordinates (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:644 msgid "Lattice coordinates (atomic numbers)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:646 msgid "GAMESS format (symbols)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:647 msgid "GAMESS format (names)" msgstr "" #: qtplugins/coordinateeditor/coordinateeditordialog.cpp:648 #, fuzzy msgid "Turbomole format" msgstr "Turbomole 輸入" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:108 #. i18n: ectx: property (text), widget (QToolButton, copy) #: qtplugins/copypaste/copypaste.cpp:30 #: qtplugins/molecularproperties/molecularview.cpp:199 #: qtplugins/propertytables/propertyview.cpp:300:277 #, fuzzy msgid "Copy" msgstr "複製" #: qtplugins/copypaste/copypaste.cpp:31 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:46 #, fuzzy msgid "SMILES" msgstr "SMILES 文字化學式" #: qtplugins/copypaste/copypaste.cpp:32 qtplugins/copypaste/copypaste.cpp:78 #: qtplugins/lineformatinput/lineformatinput.cpp:45 msgid "InChI" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:101 #. i18n: ectx: property (text), widget (QToolButton, cut) #: qtplugins/copypaste/copypaste.cpp:33:274 msgid "Cut" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, clear) #: qtplugins/copypaste/copypaste.cpp:34:286 #, fuzzy msgid "Clear" msgstr "清除" #: qtplugins/copypaste/copypaste.cpp:35 msgid "&Paste" msgstr "" #: qtplugins/copypaste/copypaste.cpp:79 qtplugins/copypaste/copypaste.cpp:81 msgid "&Edit" msgstr "" #: qtplugins/copypaste/copypaste.cpp:81 #, fuzzy msgid "Copy As" msgstr "複製" #: qtplugins/copypaste/copypaste.cpp:150 msgid "Error Clipping Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:151 msgid "Error generating clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:152 #, qt-format msgctxt "file format" msgid "" "Output format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.cpp:156 qtplugins/copypaste/copypaste.cpp:277 #, qt-format msgid "" "Reader error:\n" "%1" msgstr "" #: qtplugins/copypaste/copypaste.cpp:238 qtplugins/copypaste/copypaste.cpp:271 msgid "Error Pasting Molecule" msgstr "" #: qtplugins/copypaste/copypaste.cpp:239 msgid "Cannot paste molecule: Clipboard empty!" msgstr "" #: qtplugins/copypaste/copypaste.cpp:272 msgid "Error reading clipboard data." msgstr "" #: qtplugins/copypaste/copypaste.cpp:273 #, qt-format msgctxt "file format description" msgid "" "Detected format: %1\n" "%2" msgstr "" #: qtplugins/copypaste/copypaste.h:31 msgid "Copy and paste" msgstr "" #: qtplugins/copypaste/copypaste.h:35 msgid "Interact with the clipboard." msgstr "" #: qtplugins/cp2kinput/cp2kinput.cpp:33 msgid "&CP2K…" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:34 msgid "CP2K input" msgstr "" #: qtplugins/cp2kinput/cp2kinput.h:36 msgid "Generate input for CP2K." msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:196 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:260 #: qtplugins/forcefield/forcefield.cpp:80:1184 msgid "Energy" msgstr "能量" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:263 msgid "Energy and Forces" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:266 msgid "Molecular Dynamics" msgstr "分子動力學" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:269 #, fuzzy msgid "Geometry Optimization" msgstr "幾何最佳化" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:338 msgid "Electronic structure methods (DFT)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:341 #, fuzzy msgid "Molecular Mechanics" msgstr "分子力學" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:344 msgid "Hybrid quantum classical (Not yet supported)" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:359 msgid "EWALD" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:152 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:362 #: qtplugins/cp2kinput/cp2kinputdialog.cpp:397:744 msgid "NONE" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:303 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) #: qtplugins/cp2kinput/cp2kinputdialog.cpp:365:1364 msgid "PME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:368 msgid "SPME" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:382 msgid "ATOMIC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:385 msgid "CORE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:388 msgid "DENSITIES" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:391 msgid "HISTORY_RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:394 msgid "MOPAC" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:400 msgid "RANDOM" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:403 msgid "RESTART" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:406 msgid "SPARSE" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:420 msgid "BROYDEN" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:423 #, fuzzy msgid "Conjugate Gradients" msgstr "共軛梯度" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:426 msgid "DIIS" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:429 #, fuzzy msgid "Steepest descent" msgstr "Steepest Descent (最陡下降)" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:533 #: qtplugins/gamessinput/gamessinputdialog.cpp:414 msgid "" "The input file has been modified. Would you like to overwrite your changes " "to reflect the new geometry or job options?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:537 #: qtplugins/gamessinput/gamessinputdialog.cpp:418 msgid "Overwrite modified input file?" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:957 msgid "Save CP2K input file" msgstr "" #: qtplugins/cp2kinput/cp2kinputdialog.cpp:1006 msgid "Submit CP2K Calculation" msgstr "" #: qtplugins/crystal/crystal.cpp:40 msgid "Import Crystal from Clipboard…" msgstr "" #: qtplugins/crystal/crystal.cpp:47 msgid "Toggle Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:52 msgid "Edit Unit Cell…" msgstr "加入單位晶格…" #: qtplugins/crystal/crystal.cpp:57 msgid "&Wrap Atoms to Unit Cell" msgstr "" #: qtplugins/crystal/crystal.cpp:63 msgid "Rotate to Standard &Orientation" msgstr "" #: qtplugins/crystal/crystal.cpp:69 msgid "Scale Cell &Volume…" msgstr "" #: qtplugins/crystal/crystal.cpp:74 msgid "Build &Supercell…" msgstr "超級晶格（&S）…" #: qtplugins/crystal/crystal.cpp:79 msgid "Reduce Cell (&Niggli)" msgstr "" #: qtplugins/crystal/crystal.cpp:103 qtplugins/plotpdf/plotpdf.cpp:55 #: qtplugins/plotrmsd/plotrmsd.cpp:48 qtplugins/plotxrd/plotxrd.cpp:53 #: qtplugins/spacegroup/spacegroup.cpp:105 #, fuzzy msgid "&Crystal" msgstr "結晶 (&C)" #: qtplugins/crystal/crystal.cpp:149 msgid "Remove &Unit Cell" msgstr "移除單位晶格 (&U)" #: qtplugins/crystal/crystal.cpp:156 msgid "Add &Unit Cell" msgstr "加入單位晶格 (&U)" #: qtplugins/crystal/crystal.cpp:168 msgid "Import Crystal from Clipboard" msgstr "" #: qtplugins/crystal/crystal.cpp:175 msgid "Wrap atoms into the unit cell." msgstr "" #: qtplugins/crystal/crystal.cpp:177 msgid "Rotate the unit cell to the standard orientation." msgstr "" #: qtplugins/crystal/crystal.cpp:215 msgid "Niggli Reduce Crystal" msgstr "" #: qtplugins/crystal/crystal.cpp:216 msgid "The unit cell is already reduced." msgstr "" #: qtplugins/crystal/crystal.h:25 #, fuzzy msgid "Crystal" msgstr "結晶" #: qtplugins/crystal/crystal.h:69 msgid "Tools for crystal-specific editing/analysis." msgstr "" #: qtplugins/crystal/crystalscene.cpp:178 msgid "Color axes:" msgstr "" #: qtplugins/crystal/crystalscene.cpp:184 msgid "Line color:" msgstr "" #: qtplugins/crystal/crystalscene.h:35 msgid "Render the unit cell boundaries." msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:68 msgid "Cannot Parse Text" msgstr "" #: qtplugins/crystal/importcrystaldialog.cpp:69 msgid "Failed to read the data with the supplied format." msgstr "" #: qtplugins/crystal/unitcelldialog.cpp:249 #: qtplugins/crystal/unitcelldialog.cpp:262 msgid "No unit cell present." msgstr "" #: qtplugins/customelements/customelements.cpp:19 msgid "Reassign &Custom Elements…" msgstr "" #: qtplugins/customelements/customelements.cpp:32 msgid "Manipulate custom element types in the current molecule." msgstr "" #: qtplugins/customelements/customelements.h:24 msgid "Custom Elements" msgstr "" #: qtplugins/dipole/dipole.h:33 msgid "Render the dipole moment of the molecule." msgstr "" #: qtplugins/editor/editor.cpp:71 msgctxt "control-key 2" msgid "Ctrl+2" msgstr "" #: qtplugins/editor/editor.cpp:72 qtplugins/editor/editor.cpp:120 msgid "Draw" msgstr "繪圖" #: qtplugins/editor/editor.cpp:74 #, qt-format msgid "" "Draw Tool \t(%1)\n" "\n" "Left Mouse: \tClick and Drag to create Atoms and Bond\n" "Right Mouse: \tDelete Atom" msgstr "" #: qtplugins/editor/editor.cpp:114 msgid "Draw Atom" msgstr "繪製原子" #: qtplugins/editor/editor.cpp:124 msgid "Change Bond Type" msgstr "" #: qtplugins/editor/editor.cpp:137 msgid "Remove Bond" msgstr "" #: qtplugins/editor/editor.cpp:265 qtplugins/measuretool/measuretool.cpp:198 #: qtplugins/measuretool/measuretool.cpp:223 #, fuzzy msgid "Distance:" msgstr "距離：" #: qtplugins/editor/editor.cpp:268 #, qt-format msgid "%1 %L2" msgstr "" #: qtplugins/editor/editor.h:34 qtplugins/editor/editor.h:35 msgid "Editor tool" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:217 #. i18n: ectx: property (currentText), widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:249 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #: qtplugins/editor/editortoolwidget.cpp:208:1833 rc.cpp:1851 msgid "Automatic" msgstr "" #: qtplugins/editor/editortoolwidget.cpp:209 msgid "Single" msgstr "單鍵" #: qtplugins/editor/editortoolwidget.cpp:210 msgid "Double" msgstr "雙鍵" #: qtplugins/editor/editortoolwidget.cpp:211 msgid "Triple" msgstr "三鍵" #: qtplugins/fetchpdb/fetchpdb.cpp:41 qtplugins/importpqr/importpqr.cpp:59 #: qtplugins/insertfragment/insertfragment.cpp:58 #: qtplugins/networkdatabases/networkdatabases.cpp:41 msgid "&Import" msgstr "&匯入" #: qtplugins/fetchpdb/fetchpdb.cpp:61 #, fuzzy msgid "Fetch PDB" msgstr "取 PDB (蛋白質資料庫)" #: qtplugins/fetchpdb/fetchpdb.cpp:62 #, qt-format msgid "Could not read the PDB molecule: %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:72 msgid "PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:73 #: qtplugins/networkdatabases/networkdatabases.cpp:76 msgid "Chemical structure to download." msgstr "下載化學結構." #: qtplugins/fetchpdb/fetchpdb.cpp:81 qtplugins/fetchpdb/fetchpdb.cpp:89 msgid "Invalid PDB Code" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:82 msgid "The PDB code must be exactly 4 characters long." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:90 msgid "The first character of the PDB code must be 1-9." msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:109 #: qtplugins/networkdatabases/networkdatabases.cpp:88 #, qt-format msgid "Querying for %1" msgstr "" #: qtplugins/fetchpdb/fetchpdb.cpp:120 qtplugins/fetchpdb/fetchpdb.cpp:133 #: qtplugins/networkdatabases/networkdatabases.cpp:99 #: qtplugins/networkdatabases/networkdatabases.cpp:110 msgid "Network Download Failed" msgstr "網路下載失敗" #: qtplugins/fetchpdb/fetchpdb.cpp:121 #: qtplugins/networkdatabases/networkdatabases.cpp:100 msgid "Network timeout or other error." msgstr "連線逾時或是其他錯誤" #: qtplugins/fetchpdb/fetchpdb.cpp:134 #: qtplugins/networkdatabases/networkdatabases.cpp:111 #, qt-format msgid "Specified molecule could not be found: %1" msgstr "找不到指定的分子: %1" #: qtplugins/fetchpdb/fetchpdb.h:35 #, fuzzy msgid "Fetch from PDB" msgstr "取自 PDB (蛋白質資料庫)" #: qtplugins/fetchpdb/fetchpdb.h:39 msgid "Download PDB models from the Protein Data Bank" msgstr "" #: qtplugins/focus/focus.cpp:22 msgid "Focus Selection" msgstr "" #: qtplugins/focus/focus.cpp:23 msgid "Unfocus" msgstr "" #: qtplugins/focus/focus.h:27 msgid "Focus" msgstr "" #: qtplugins/focus/focus.h:30 msgid "Focus the view on specific features." msgstr "" #: qtplugins/force/force.h:33 msgid "Render the force field visualizations for the atoms of the molecule." msgstr "" #: qtplugins/forcefield/forcefield.cpp:71 #: qtplugins/forcefield/forcefield.cpp:300 #: qtplugins/forcefield/forcefield.cpp:354 qtplugins/openbabel/openbabel.cpp:47 #: qtplugins/openbabel/openbabel.cpp:559 #, fuzzy msgid "Optimize Geometry" msgstr "最佳化幾何結構" #: qtplugins/forcefield/forcefield.cpp:88 msgid "Forces" msgstr "" #: qtplugins/forcefield/forcefield.cpp:96 msgid "Configure…" msgstr "設定力場…" #: qtplugins/forcefield/forcefield.cpp:108 msgid "Freeze Selected Atoms" msgstr "固定所選的原子" #: qtplugins/forcefield/forcefield.cpp:115 msgid "Unfreeze Selected Atoms" msgstr "" #: qtplugins/forcefield/forcefield.cpp:154 #, fuzzy #| msgid "Calculate" msgid "&Calculate" msgstr "計算 (&C)" #: qtplugins/forcefield/forcefield.cpp:247 #: qtplugins/forcefield/forcefield.cpp:393 #: qtplugins/forcefield/forcefield.cpp:439 #: qtplugins/playertool/playertool.cpp:348 #: qtplugins/playertool/playertool.cpp:380 qtplugins/surfaces/surfaces.cpp:916 #: qtplugins/surfaces/surfaces.cpp:960 qtplugins/surfaces/surfaces.cpp:972 #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Avogadro" msgstr "Avogadro 亞佛加厥" #: qtplugins/forcefield/forcefield.cpp:248 msgid "No atoms provided for optimization" msgstr "" #: qtplugins/forcefield/forcefield.cpp:317 #, qt-format msgctxt "force field energy" msgid "Energy: %L1" msgstr "" #: qtplugins/forcefield/forcefield.cpp:392 #, fuzzy, qt-format #| msgid "Energy = %L1 %2" msgid "%1 Energy = %L2" msgstr "%1 能量 = %L2" #: qtplugins/forcefield/forcefield.cpp:438 #, qt-format msgid "%1 Force Norm = %L2" msgstr "" #: qtplugins/forcefield/forcefield.h:46 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield optimization" msgstr "力埸最佳化" #: qtplugins/forcefield/forcefield.h:50 #, fuzzy #| msgid "Forcefield Optimization" msgid "Forcefield minimization, including scripts" msgstr "力埸最佳化" #: qtplugins/forcefield/forcefielddialog.cpp:119 #: qtplugins/openbabel/obforcefielddialog.cpp:319 #, qt-format msgid "Autodetect (%1)" msgstr "" #: qtplugins/forcefield/obenergy.cpp:101 qtplugins/forcefield/obmmenergy.cpp:33 msgid "Universal Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:106 qtplugins/forcefield/obmmenergy.cpp:38 msgid "Generalized Amber Force Field" msgstr "" #: qtplugins/forcefield/obenergy.cpp:120 qtplugins/forcefield/obmmenergy.cpp:52 msgid "Merck Molecular Force Field 94" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:251 #, qt-format msgid "Error retrieving metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:261 #, qt-format msgid "Error parsing metadata for energy script: %1" msgstr "" #: qtplugins/forcefield/scriptenergy.cpp:269 #, qt-format msgid "" "Error parsing metadata for energy script: %1\n" "Result is not a JSON object.\n" msgstr "" #: qtplugins/gamessinput/gamessinput.cpp:34 msgid "&GAMESS…" msgstr "GAMESS（原子分子之電子結構系統）（&G）…" #: qtplugins/gamessinput/gamessinput.h:34 #, fuzzy msgid "GAMESS input" msgstr "GAMESS (原子分子之電子結構系統) 輸入" #: qtplugins/gamessinput/gamessinput.h:38 msgid "Generate input for GAMESS." msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:221 #, fuzzy msgid "Single Point" msgstr "單點能量" #: qtplugins/gamessinput/gamessinputdialog.cpp:224 msgid "Equilibrium Geometry" msgstr "Equilibrium Geometry" #: qtplugins/gamessinput/gamessinputdialog.cpp:227 msgid "Transition State" msgstr "過渡狀態" #: qtplugins/gamessinput/gamessinputdialog.cpp:230 msgid "Frequencies" msgstr "頻率" #: qtplugins/gamessinput/gamessinputdialog.cpp:299 msgid "Core Potential" msgstr "Core Potential" #: qtplugins/gamessinput/gamessinputdialog.cpp:314 msgid "Gas" msgstr "氣體" #: qtplugins/gamessinput/gamessinputdialog.cpp:317 msgid "Water" msgstr "水" #: qtplugins/gamessinput/gamessinputdialog.cpp:332 msgid "Singlet" msgstr "Singlet" #: qtplugins/gamessinput/gamessinputdialog.cpp:335 msgid "Doublet" msgstr "Doublet" #: qtplugins/gamessinput/gamessinputdialog.cpp:338 msgid "Triplet" msgstr "Triplet" #: qtplugins/gamessinput/gamessinputdialog.cpp:353 msgid "Dication" msgstr "Dication" #: qtplugins/gamessinput/gamessinputdialog.cpp:356 msgid "Cation" msgstr "陽離子" #: qtplugins/gamessinput/gamessinputdialog.cpp:359 msgid "Neutral" msgstr "中性" #: qtplugins/gamessinput/gamessinputdialog.cpp:362 msgid "Anion" msgstr "陰離子" #: qtplugins/gamessinput/gamessinputdialog.cpp:365 msgid "Dianion" msgstr "Dianion" #: qtplugins/gamessinput/gamessinputdialog.cpp:650 msgid "Save GAMESS input file" msgstr "" #: qtplugins/gamessinput/gamessinputdialog.cpp:700 msgid "Submit GAMESS Calculation" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:21 #, fuzzy msgid "&Adjust Hydrogens" msgstr "自動加上氫原子" #: qtplugins/hydrogens/hydrogens.cpp:27 qtplugins/openbabel/openbabel.cpp:71 msgid "Add Hydrogens" msgstr "加上氫" #: qtplugins/hydrogens/hydrogens.cpp:32 #, fuzzy msgid "Remove E&xtra Hydrogens" msgstr "移除氫" #: qtplugins/hydrogens/hydrogens.cpp:37 msgid "&Remove All Hydrogens" msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:49 msgid "Add/remove hydrogens from the current molecule." msgstr "" #: qtplugins/hydrogens/hydrogens.cpp:59 #, fuzzy msgid "&Hydrogens" msgstr "氫" #: qtplugins/hydrogens/hydrogens.h:24 msgid "Hydrogens" msgstr "氫" #: qtplugins/importpqr/importpqr.cpp:25 msgid "&Search PQR…" msgstr "" #: qtplugins/importpqr/importpqr.h:35 msgid "Import From PQR" msgstr "" #: qtplugins/importpqr/importpqr.h:39 msgid "Download a molecule from PQR." msgstr "" #: qtplugins/insertdna/insertdna.cpp:43 msgid "DNA/RNA…" msgstr "" #: qtplugins/insertdna/insertdna.cpp:62 #: qtplugins/insertfragment/insertfragment.cpp:60 #: qtplugins/lineformatinput/lineformatinput.cpp:61 msgid "&Insert" msgstr "插入" #: qtplugins/insertdna/insertdna.cpp:79 msgid "Insert DNA/RNA…" msgstr "插入 DNA／RNA…" #: qtplugins/insertdna/insertdna.cpp:159 msgctxt "uracil" msgid "U" msgstr "" #: qtplugins/insertdna/insertdna.cpp:160 msgid "Uracil" msgstr "" #: qtplugins/insertdna/insertdna.cpp:166 #, fuzzy #| msgid "T" msgctxt "thymine" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:79 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_TU) #: qtplugins/insertdna/insertdna.cpp:167:637 msgid "Thymine" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::LineFormatInputDialog) #: qtplugins/insertdna/insertdna.cpp:200 #: qtplugins/lineformatinput/lineformatinput.cpp:108 #: qtplugins/lineformatinput/lineformatinput.cpp:123:1046 msgid "Insert Molecule…" msgstr "加入分子…" #: qtplugins/insertdna/insertdna.cpp:201 #: qtplugins/lineformatinput/lineformatinput.cpp:124 msgid "Generating 3D molecule…" msgstr "" #: qtplugins/insertdna/insertdna.h:33 #, fuzzy #| msgid "&Insert" msgid "InsertDNA" msgstr "插入 DNA" #: qtplugins/insertdna/insertdna.h:63 msgid "Insert DNA / RNA fragments through a dialog." msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:32 msgid "Molecule…" msgstr "分子…" #: qtplugins/insertfragment/insertfragment.cpp:38 msgid "Crystal…" msgstr "結晶…" #: qtplugins/insertfragment/insertfragment.cpp:108 #, qt-format msgid "Error reading file (%1)." msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ImportCrystalDialog) #: qtplugins/insertfragment/insertfragment.cpp:117:379 msgid "Import Crystal" msgstr "" #: qtplugins/insertfragment/insertfragment.cpp:121 msgid "Insert Fragment" msgstr "插入片斷" #: qtplugins/insertfragment/insertfragment.h:35 #, fuzzy msgid "InsertFragment" msgstr "插入片斷" #: qtplugins/insertfragment/insertfragment.h:60 #, fuzzy msgid "Insert molecular fragments for building larger molecules." msgstr "插入片斷以建立更大的分子" #: qtplugins/label/label.cpp:160 qtplugins/meshes/meshes.cpp:177 #: qtplugins/meshes/meshes.cpp:183 msgid "Color:" msgstr "顏色:" #: qtplugins/label/label.cpp:170 msgid "Distance from center:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:345 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:640 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:108 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:370 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) #: qtplugins/label/label.cpp:180 qtplugins/label/label.cpp:210 #: qtplugins/label/label.cpp:223:1373 rc.cpp:1466 rc.cpp:1806 msgid "None" msgstr "無" #: qtplugins/label/label.cpp:181 qtplugins/label/label.cpp:212 msgid "Index" msgstr "" #: qtplugins/label/label.cpp:182 msgid "Unique ID" msgstr "單一的 ID" #: qtplugins/label/label.cpp:183 qtplugins/propertytables/propertymodel.cpp:499 #: qtplugins/symmetry/operationstablemodel.cpp:63 msgid "Element" msgstr "元素" #: qtplugins/label/label.cpp:184 msgid "Element & Number" msgstr "" #: qtplugins/label/label.cpp:186 msgid "Element & ID" msgstr "" #: qtplugins/label/label.cpp:188 msgctxt "atomic partial charge" msgid "Partial Charge" msgstr "" #: qtplugins/label/label.cpp:203 #, fuzzy msgid "Atom Label:" msgstr "原子標示" #: qtplugins/label/label.cpp:211 msgid "Length" msgstr "" #: qtplugins/label/label.cpp:217 msgid "Bond Label:" msgstr "" #: qtplugins/label/label.cpp:228 qtplugins/propertytables/propertymodel.cpp:552 msgid "ID" msgstr "" #: qtplugins/label/label.cpp:232 #: qtplugins/plugindownloader/downloaderwidget.cpp:63 #: qtplugins/propertytables/propertymodel.cpp:550 msgid "Name" msgstr "" #: qtplugins/label/label.cpp:236 msgid " & " msgstr "" #: qtplugins/label/label.cpp:248 #, fuzzy msgid "Residue Label:" msgstr "殘基名稱" #: qtplugins/label/label.h:29 msgid "Display labels on ball and stick style." msgstr "" #: qtplugins/label/labeleditor.cpp:31 msgctxt "control-key 4" msgid "Ctrl+4" msgstr "" #: qtplugins/label/labeleditor.cpp:32 msgid "Edit Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:34 #, qt-format msgid "" "Atom Label Tool \t(%1)\n" "\n" "Left Mouse: \tClick on Atoms to add Custom Labels" msgstr "" #: qtplugins/label/labeleditor.cpp:81 msgid "Create Label" msgstr "" #: qtplugins/label/labeleditor.h:23 qtplugins/label/labeleditor.h:24 msgid "Label editor tool" msgstr "" #: qtplugins/lammpsinput/lammpsinput.cpp:30 msgid "&LAMMPS…" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:31 msgid "LAMMPS input" msgstr "" #: qtplugins/lammpsinput/lammpsinput.h:35 msgid "Generate input for LAMMPS." msgstr "" #: qtplugins/lammpsinput/lammpsinputdialog.cpp:144 #, fuzzy msgid "" "Would you like to update the preview text, losing all changes made in the " "Lammps input deck preview pane?" msgstr "您希望更新預覽的文字嗎? 將會失去所有在 Lammps 輸入工作區預覽框中的變更" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:157 #. i18n: ectx: property (text), widget (QLabel, opacitySliderLabel) #: qtplugins/licorice/licorice.cpp:78 qtplugins/meshes/meshes.cpp:171 #: qtplugins/vanderwaals/vanderwaals.cpp:75:1631 msgid "Opacity:" msgstr "不透明度:" #: qtplugins/licorice/licorice.h:36 msgid "Render atoms as licorice / sticks." msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:31 msgid "SMILES…" msgstr "SMILES 文字化學式…" #: qtplugins/lineformatinput/lineformatinput.cpp:37 msgid "InChI…" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:88 #: qtplugins/lineformatinput/lineformatinput.cpp:112 #, fuzzy msgid "No descriptors found!" msgstr "沒有描述" #: qtplugins/lineformatinput/lineformatinput.cpp:89 msgid "No line format readers found!" msgstr "" #: qtplugins/lineformatinput/lineformatinput.cpp:113 msgid "Unable to load requested format reader." msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:31 msgid "LineFormatInput" msgstr "" #: qtplugins/lineformatinput/lineformatinput.h:54 msgid "Load single-line molecule descriptors through an input dialog." msgstr "" #: qtplugins/manipulator/manipulator.cpp:49 msgctxt "control-key 6" msgid "Ctrl+6" msgstr "" #: qtplugins/manipulator/manipulator.cpp:50 msgid "Manipulate" msgstr "調整" #: qtplugins/manipulator/manipulator.cpp:52 #, qt-format msgid "" "Manipulation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to move atoms\n" "Right Mouse: \tClick and drag to rotate atoms.\n" msgstr "" #: qtplugins/manipulator/manipulator.h:36 #: qtplugins/manipulator/manipulator.h:37 msgid "Manipulate tool" msgstr "" #: qtplugins/measuretool/measuretool.cpp:49 msgctxt "control-key 8" msgid "Ctrl+8" msgstr "" #: qtplugins/measuretool/measuretool.cpp:50 msgid "Measure" msgstr "測量" #: qtplugins/measuretool/measuretool.cpp:52 #, qt-format msgid "" "Measure Tool \t(%1)\n" "\n" "Left Mouse: \tSelect up to four Atoms.\n" "\tDistances are measured between 1-2 and 2-3\n" "\tAngle is measured between 1-3 using 2 as the common point\n" "\tDihedral is measured between 1-2-3-4\n" "Right Mouse: \tReset the measurements." msgstr "" #: qtplugins/measuretool/measuretool.cpp:196 #: qtplugins/measuretool/measuretool.cpp:207 msgid "Dihedral:" msgstr "二面體" #: qtplugins/measuretool/measuretool.cpp:197 msgid "Angle:" msgstr "角度：" #: qtplugins/measuretool/measuretool.cpp:215 #, fuzzy msgid "Angles:" msgstr "角度：" #: qtplugins/measuretool/measuretool.h:33 #: qtplugins/measuretool/measuretool.h:34 msgid "Measure tool" msgstr "" #: qtplugins/meshes/meshes.h:31 msgid "Render polygon meshes." msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:77 msgctxt "asking server for molecule name" msgid "(pending)" msgstr "(未決)" #: qtplugins/molecularproperties/molecularmodel.cpp:108 #: qtplugins/molecularproperties/molecularmodel.cpp:116 #: qtplugins/molecularproperties/molecularmodel.cpp:132 #, fuzzy msgid "unknown molecule" msgstr "不明分子" #: qtplugins/molecularproperties/molecularmodel.cpp:293 #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Property" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:300 msgid "Molecule Name" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:302 msgid "Molecular Mass (g/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:304 msgid "Chemical Formula" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:306 msgid "Number of Atoms" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:308 msgid "Number of Bonds" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:310 msgid "Coordinate Sets" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:312 msgid "Number of Residues" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:314 msgid "Number of Chains" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:316 msgid "Net Charge" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:318 msgid "Net Spin Multiplicity" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:320 msgid "Dipole Moment (Debye)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:322 msgctxt "highest occupied molecular orbital" msgid "HOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:324 msgctxt "lowest unoccupied molecular orbital" msgid "LUMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:326 msgctxt "singly-occupied molecular orbital" msgid "SOMO Energy (eV)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:328 msgctxt "total electronic energy in Hartrees" msgid "Total Energy (Hartree)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:331 msgctxt "zero point vibrational energy" msgid "Zero Point Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:334 msgid "Enthalpy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:336 msgid "Entropy (kcal/mol•K)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:338 msgid "Gibbs Free Energy (kcal/mol)" msgstr "" #: qtplugins/molecularproperties/molecularmodel.cpp:340 msgctxt "point group symmetry" msgid "Point Group" msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:27 msgid "&Molecular…" msgstr "分子的（&M）…" #: qtplugins/molecularproperties/molecularproperties.cpp:37 msgid "View general properties of a molecule." msgstr "" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/qtaim/qtaimextension.cpp:68 qtplugins/spectra/spectra.cpp:43 #: qtplugins/surfaces/orbitals.cpp:63 qtplugins/surfaces/surfaces.cpp:263 #: qtplugins/symmetry/symmetry.cpp:82 qtplugins/vibrations/vibrations.cpp:42 #, fuzzy msgid "&Analysis" msgstr "分析" #: qtplugins/molecularproperties/molecularproperties.cpp:47 #: qtplugins/propertytables/propertytables.cpp:86 #: qtplugins/symmetry/symmetry.cpp:82 msgid "&Properties" msgstr "性質" #: qtplugins/molecularproperties/molecularproperties.h:30 msgid "Molecular Properties" msgstr "分子性質" #: qtplugins/molecularproperties/molecularview.cpp:39 #: qtplugins/propertytables/propertyview.cpp:62 msgid "Molecule Properties" msgstr "分子性質" #: qtplugins/molecularproperties/molecularview.cpp:146 #: qtplugins/propertytables/propertyview.cpp:248 #, fuzzy #| msgid "&Export" msgid "Export CSV" msgstr "匯出CSV" #: qtplugins/molecularproperties/molecularview.cpp:147 #: qtplugins/propertytables/propertyview.cpp:249 #, fuzzy #| msgid "WFN files (*.wfn);;All files (*.*)" msgid "CSV Files (*.csv);;All Files (*)" msgstr "CSV 檔 (*.csv);;所有檔案 (*)" #: qtplugins/molecularproperties/molecularview.cpp:159 #: qtplugins/propertytables/propertyview.cpp:261 #, fuzzy #| msgid "Could not open file '%1' for writing." msgid "Could not open the file for writing." msgstr "無法開啟檔案 '%1' 以進行寫入" #: qtplugins/molecularproperties/molecularview.cpp:192 #: qtplugins/propertytables/propertyview.cpp:293 msgid "Error writing to the file." msgstr "" #: qtplugins/molecularproperties/molecularview.cpp:204 #: qtplugins/propertytables/propertyview.cpp:305 msgid "Export…" msgstr "匯出…" #: qtplugins/navigator/navigator.cpp:39 msgctxt "control-key 1" msgid "Ctrl+1" msgstr "" #: qtplugins/navigator/navigator.cpp:40 msgid "Navigate" msgstr "導覽" #: qtplugins/navigator/navigator.cpp:42 #, qt-format msgid "" "Navigation Tool \t(%1)\n" "\n" "Left Mouse: \tClick and drag to rotate the view.\n" "Middle Mouse: \tClick and drag to zoom in or out.\n" "Right Mouse: \tClick and drag to move the view.\n" msgstr "" #: qtplugins/navigator/navigator.cpp:62 msgid "Rotate the scene along the x, y, or z axes." msgstr "" #: qtplugins/navigator/navigator.cpp:63 msgid "Zoom the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:64 msgid "Translate the scene." msgstr "" #: qtplugins/navigator/navigator.cpp:105 msgid "Reverse Direction of Zoom on Scroll" msgstr "" #: qtplugins/navigator/navigator.cpp:107 msgid "" "Default:\t Scroll down to shrink, scroll up to zoom\n" "Reversed:\t Scroll up to shrink, scroll down to zoom" msgstr "" #: qtplugins/navigator/navigator.h:31 qtplugins/navigator/navigator.h:32 msgid "Navigate tool" msgstr "導覽工具" #: qtplugins/networkdatabases/networkdatabases.cpp:75 msgid "Chemical Name" msgstr "化合物名稱" #: qtplugins/networkdatabases/networkdatabases.h:35 msgid "Network Databases" msgstr "" #: qtplugins/networkdatabases/networkdatabases.h:39 msgid "Interact with online databases, query structures etc." msgstr "" #: qtplugins/noncovalent/noncovalent.cpp:340 msgid " °" msgstr " °" #: qtplugins/noncovalent/noncovalent.cpp:368 msgid "Angle tolerance:" msgstr "" #: qtplugins/noncovalent/noncovalent.h:34 msgid "Render a few non-covalent interactions." msgstr "" #: qtplugins/noncovalent/noncovalent.h:54 msgid "Halogen" msgstr "" #: qtplugins/noncovalent/noncovalent.h:55 msgid "Chalcogen" msgstr "" #: qtplugins/openbabel/openbabel.cpp:53 msgid "Configure Force Field…" msgstr "設定力場…" #: qtplugins/openbabel/openbabel.cpp:59 msgid "Conformer Search…" msgstr "找尋構形異構物…" #: qtplugins/openbabel/openbabel.cpp:65 #, fuzzy msgid "Perceive Bonds" msgstr "理解鍵嗎" #: qtplugins/openbabel/openbabel.cpp:77 msgid "Add Hydrogens for pH…" msgstr "依照 pH 加上氫…" #: qtplugins/openbabel/openbabel.cpp:83 #, fuzzy msgid "Remove Hydrogens" msgstr "移除氫" #: qtplugins/openbabel/openbabel.cpp:94 #, qt-format msgid "%1 not found! Disabling Open Babel plugin actions." msgstr "" #: qtplugins/openbabel/openbabel.cpp:112 msgid "&Open Babel" msgstr "" #: qtplugins/openbabel/openbabel.cpp:119 msgid "The Open Babel file formats are not ready to be added." msgstr "" #: qtplugins/openbabel/openbabel.cpp:203 msgid "Loading molecule from Open Babel…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:209 msgid "" "An internal error occurred: OpenBabel::readMolecule called, but no obabel " "output is available to parse!" msgstr "" #: qtplugins/openbabel/openbabel.cpp:218 #, qt-format msgid "An error occurred while running Open Babel (%1)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:228 msgid "Error parsing openbabel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:370 qtplugins/openbabel/openbabel.cpp:398 #: qtplugins/openbabel/openbabel.cpp:432 qtplugins/openbabel/openbabel.cpp:577 #, qt-format msgid "" "An error occurred while retrieving the list of supported forcefields. (using " "'%1')." msgstr "" #: qtplugins/openbabel/openbabel.cpp:423 msgid "Molecule invalid. Cannot optimize geometry." msgstr "" #: qtplugins/openbabel/openbabel.cpp:441 msgid "Cannot optimize geometry with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:466 #, fuzzy msgid "Optimizing Geometry (Open Babel)" msgstr "最佳化幾何結構 (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:467 qtplugins/openbabel/openbabel.cpp:620 msgid "Generating…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:486 qtplugins/openbabel/openbabel.cpp:637 msgid "" "An internal error occurred while generating an Open Babel representation of " "the current molecule." msgstr "" #: qtplugins/openbabel/openbabel.cpp:492 qtplugins/openbabel/openbabel.cpp:643 #, qt-format msgctxt "arg is an executable file." msgid "Starting %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:506 qtplugins/openbabel/openbabel.cpp:514 #: qtplugins/openbabel/openbabel.cpp:657 qtplugins/openbabel/openbabel.cpp:665 #, qt-format msgid "" "Step %1 of %2\n" "Current energy: %3\n" "dE: %4" msgstr "" #: qtplugins/openbabel/openbabel.cpp:528 qtplugins/openbabel/openbabel.cpp:679 msgid "Updating molecule…" msgstr "正在更新分子…" #: qtplugins/openbabel/openbabel.cpp:536 qtplugins/openbabel/openbabel.cpp:687 #: qtplugins/openbabel/openbabel.cpp:778 qtplugins/openbabel/openbabel.cpp:960 msgid "Error interpreting Open Babel output." msgstr "" #: qtplugins/openbabel/openbabel.cpp:549 qtplugins/openbabel/openbabel.cpp:700 #: qtplugins/openbabel/openbabel.cpp:790 #, qt-format msgid "" "Number of atoms in obabel output (%1) does not match the number of atoms in " "the original molecule (%2)." msgstr "" #: qtplugins/openbabel/openbabel.cpp:568 msgid "Molecule invalid. Cannot generate conformers." msgstr "" #: qtplugins/openbabel/openbabel.cpp:586 msgid "Cannot generate conformers with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:619 msgid "Generating Conformers (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:710 msgid "Generate Conformers" msgstr "" #: qtplugins/openbabel/openbabel.cpp:729 msgid "Cannot open file with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:735 msgid "Invalid molecule: Cannot perceive bonds." msgstr "" #: qtplugins/openbabel/openbabel.cpp:741 msgid "Perceiving Bonds (Open Babel)" msgstr "" #: qtplugins/openbabel/openbabel.cpp:742 msgid "Generating XYZ representation…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:749 msgid "Error generating XYZ string." msgstr "" #: qtplugins/openbabel/openbabel.cpp:760 #, qt-format msgid "Converting XYZ to Open Babel with %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:770 msgid "Updating molecule from Open Babel…" msgstr "正在從 Open Babel 更新分子…" #: qtplugins/openbabel/openbabel.cpp:822 qtplugins/openbabel/openbabel.cpp:864 msgid "Cannot add hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:827 qtplugins/openbabel/openbabel.cpp:877 #, fuzzy msgid "Adding Hydrogens (Open Babel)" msgstr "加上氫 (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:828 msgid "Generating Open Babel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:836 qtplugins/openbabel/openbabel.cpp:886 msgid "Error generating Open Babel input." msgstr "" #: qtplugins/openbabel/openbabel.cpp:849 qtplugins/openbabel/openbabel.cpp:899 #: qtplugins/openbabel/openbabel.cpp:941 #, qt-format msgid "Running %1…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "Add hydrogens for pH" msgstr "依照 pH 加上氫" #: qtplugins/openbabel/openbabel.cpp:871 #, fuzzy msgid "pH:" msgstr "pH" #: qtplugins/openbabel/openbabel.cpp:878 qtplugins/openbabel/openbabel.cpp:920 msgid "Generating obabel input…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:914 msgid "Cannot remove hydrogens with Open Babel." msgstr "" #: qtplugins/openbabel/openbabel.cpp:919 #, fuzzy msgid "Removing Hydrogens (Open Babel)" msgstr "移除氫 (Open Babel)" #: qtplugins/openbabel/openbabel.cpp:928 msgid "Error generating Open Babel data." msgstr "" #: qtplugins/openbabel/openbabel.cpp:951 msgid "Reading obabel output…" msgstr "" #: qtplugins/openbabel/openbabel.cpp:1014 msgid "" "Already running Open Babel. Wait for the other operation to complete and try " "again." msgstr "" #: qtplugins/openbabel/openbabel.h:38 msgid "OpenBabel" msgstr "" #: qtplugins/openbabel/openbabel.h:42 msgid "Interact with OpenBabel utilities." msgstr "" #: qtplugins/openmminput/openmminput.cpp:30 msgid "&OpenMM Script…" msgstr "" #: qtplugins/openmminput/openmminput.h:31 msgid "OpenMM input" msgstr "" #: qtplugins/openmminput/openmminput.h:35 msgid "Generate input for OpenMM." msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:201 msgid "" "Would you like to update the preview text, losing all changes made in the " "OpenMM input deck preview pane?" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:496 #: qtplugins/openmminput/openmminputdialog.cpp:522 #: qtplugins/openmminput/openmminputdialog.cpp:933 #: qtplugins/openmminput/openmminputdialog.cpp:1051 msgid "inpcrd" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:493 #: qtplugins/openmminput/openmminputdialog.cpp:498 #: qtplugins/openmminput/openmminputdialog.cpp:526 #: qtplugins/openmminput/openmminputdialog.cpp:942 #: qtplugins/openmminput/openmminputdialog.cpp:1053 msgid "gro" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:81 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputTopEdit) #: qtplugins/openmminput/openmminputdialog.cpp:497:1274 msgid "input.prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:499 msgid "input.top" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:502 #: qtplugins/openmminput/openmminputdialog.cpp:926 #: qtplugins/openmminput/openmminputdialog.cpp:1042 #: qtplugins/openmminput/openmminputdialog.cpp:1049 msgid "pdb" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:523 msgid "prmtop" msgstr "" #: qtplugins/openmminput/openmminputdialog.cpp:527 msgid "top" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:452 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:808 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) #: qtplugins/openmminput/openmminputdialog.cpp:1060 #: qtplugins/openmminput/openmminputdialog.cpp:1069:1391 rc.cpp:1406 msgid "True" msgstr "" #: qtplugins/overlayaxes/overlayaxes.cpp:237 msgid "Reference Axes" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:30 msgid "Reference Axes Overlay" msgstr "" #: qtplugins/overlayaxes/overlayaxes.h:33 msgid "Render reference axes in the corner of the display." msgstr "" #: qtplugins/playertool/playertool.cpp:47 msgctxt "control-key 9" msgid "Ctrl+9" msgstr "" #: qtplugins/playertool/playertool.cpp:48 msgid "Player" msgstr "" #: qtplugins/playertool/playertool.cpp:49 #, qt-format msgid "Animation Tool \t(%1)" msgstr "" #: qtplugins/playertool/playertool.cpp:74 msgid "Play" msgstr "" #: qtplugins/playertool/playertool.cpp:77 msgid "Stop" msgstr "停止" #: qtplugins/playertool/playertool.cpp:88 msgid "Frame rate:" msgstr "" #: qtplugins/playertool/playertool.cpp:94 msgctxt "frames per second" msgid " FPS" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:432 #. i18n: ectx: property (text), widget (QLabel, frameLabel) #: qtplugins/playertool/playertool.cpp:118:1887 msgid "Frame:" msgstr "" #: qtplugins/playertool/playertool.cpp:125 #: qtplugins/playertool/playertool.cpp:416 #: qtplugins/surfaces/surfacedialog.cpp:230 #, qt-format msgid " of %0" msgstr "" #: qtplugins/playertool/playertool.cpp:136 #, fuzzy msgid "Dynamic bonding?" msgstr "Dynamic Bonds (動態的鍵)" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:528 #. i18n: ectx: property (text), widget (QPushButton, recordButton) #: qtplugins/playertool/playertool.cpp:144:1893 msgid "Record Movie…" msgstr "" #: qtplugins/playertool/playertool.cpp:248 #: qtplugins/playertool/playertool.cpp:353 msgid "Movie (*.mp4)" msgstr "" #: qtplugins/playertool/playertool.cpp:250 msgid "Export Bitmap Graphics" msgstr "" #: qtplugins/playertool/playertool.cpp:251 msgid "Movie (*.mp4);;Movie (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:265 qtplugins/surfaces/surfaces.cpp:888 msgid "GIF (*.gif)" msgstr "" #: qtplugins/playertool/playertool.cpp:271 msgid "GIF FPS support warning" msgstr "" #: qtplugins/playertool/playertool.cpp:272 msgid "The GIF file format does not support frame rates over 100 FPS." msgstr "" #: qtplugins/playertool/playertool.cpp:317 #, fuzzy msgid "Movie (*.avi)" msgstr "影片檔 (*.avi)" #: qtplugins/playertool/playertool.cpp:349 qtplugins/surfaces/surfaces.cpp:961 msgid "Error: cannot add frame to video." msgstr "" #: qtplugins/playertool/playertool.cpp:381 qtplugins/surfaces/surfaces.cpp:973 #, qt-format msgid "Cannot save file %1." msgstr "" #: qtplugins/playertool/playertool.h:35 msgid "Player tool" msgstr "" #: qtplugins/playertool/playertool.h:36 msgid "Play back trajectories" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:37 msgid "Plot Pair Distribution Function…" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:121 msgid "Failed to generate PDF pattern" msgstr "" #: qtplugins/plotpdf/plotpdf.cpp:122 qtplugins/plotxrd/plotxrd.cpp:121 msgid "Error message: " msgstr "" #: qtplugins/plotpdf/plotpdf.h:33 msgid "PlotPdf" msgstr "" #: qtplugins/plotpdf/plotpdf.h:68 msgid "Generate and plot a Pair Distribution Function curve." msgstr "" #: qtplugins/plotrmsd/plotrmsd.cpp:30 msgid "Plot RMSD curve…" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:34 msgid "PlotRmsd" msgstr "" #: qtplugins/plotrmsd/plotrmsd.h:64 msgid "Generate and plot an RMSD curve." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:35 msgid "Plot Theoretical XRD Pattern…" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:120 msgid "Failed to generate XRD pattern" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:157 msgid "Failed to convert molecule to CIF format." msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:192 msgid "Data read from genXrdPattern appears to be corrupt!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:230 msgid "Error: could not find genXrdPattern executable!" msgstr "" #: qtplugins/plotxrd/plotxrd.cpp:240 qtplugins/plotxrd/plotxrd.cpp:252 #: qtplugins/plotxrd/plotxrd.cpp:263 qtplugins/plotxrd/plotxrd.cpp:270 #: qtplugins/yaehmop/yaehmop.cpp:555 msgid "Error: " msgstr "" #: qtplugins/plotxrd/plotxrd.h:38 msgid "PlotXrd" msgstr "" #: qtplugins/plotxrd/plotxrd.h:86 msgid "Generate and plot a theoretical XRD pattern using ObjCryst++." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Update" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:63 msgid "Version" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:64 msgid "Description" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:100 msgid "Error downloading plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:105 msgid "Error parsing plugin data." msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:306 msgid "" "This plugin requires certain packages to be installed.\n" "Do you want to install them?" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:314 msgid "Always" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:315 msgid "Never" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:358 #: qtplugins/plugindownloader/downloaderwidget.cpp:368 #, qt-format msgctxt "" "After an HTTP request; %1 is a URL, %2 is the HTTP status code, %3 is the " "error message (if any)" msgid "Failed to download from %1: status code %2, %3\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:400 #, qt-format msgid "Downloading %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:413 #, qt-format msgid "Extracting %1 to %2\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:416 #, qt-format msgid "Finished %1 files\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:420 msgid "Extraction successful\n" msgstr "" #: qtplugins/plugindownloader/downloaderwidget.cpp:496 #, qt-format msgid "Error while extracting: %1" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, DownloaderWidget) #: qtplugins/plugindownloader/plugindownloader.cpp:27:1613 msgid "Download Plugins…" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:37 msgid "Download Plugins" msgstr "" #: qtplugins/plugindownloader/plugindownloader.h:41 msgid "Download plugins from GitHub repositories." msgstr "" #: qtplugins/ply/ply.cpp:29 msgid "PLY Render…" msgstr "PLY 渲染…" #: qtplugins/ply/ply.cpp:70 qtplugins/povray/povray.cpp:70 #: qtplugins/svg/svg.cpp:257 qtplugins/vrml/vrml.cpp:70 #, fuzzy msgid "Save File" msgstr "儲存影片檔" #: qtplugins/ply/ply.cpp:71 msgid "PLY (*.ply);;Text file (*.txt)" msgstr "" #: qtplugins/ply/ply.h:25 msgid "PLY" msgstr "" #: qtplugins/ply/ply.h:29 msgid "Render the scene using PLY." msgstr "" #: qtplugins/povray/povray.cpp:29 msgid "POV-Ray Render…" msgstr "POV-Ray 渲染…" #: qtplugins/povray/povray.cpp:71 msgid "POV-Ray (*.pov);;Text file (*.txt)" msgstr "" #: qtplugins/povray/povray.h:25 msgid "POVRay" msgstr "" #: qtplugins/povray/povray.h:29 msgid "Render the scene using POV-Ray." msgstr "" #: qtplugins/propertytables/propertymodel.cpp:501 msgid "Valence" msgstr "價" #: qtplugins/propertytables/propertymodel.cpp:503 #, fuzzy #| msgid "Partial Charge" msgid "Formal Charge" msgstr "形式電荷" #: qtplugins/propertytables/propertymodel.cpp:506 #, qt-format msgctxt "e.g. MMFF94 Partial Charge or Gasteiger Partial Charge" msgid "%1 Partial Charge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:511 msgid "X (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:513 msgid "Y (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:515 msgid "Z (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:517 #: qtplugins/propertytables/propertymodel.cpp:537 msgid "Label" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:519 #: qtplugins/propertytables/propertymodel.cpp:560 #, fuzzy msgid "Color" msgstr "顏色" #: qtplugins/propertytables/propertymodel.cpp:522 msgid "Atom" msgstr "原子" #: qtplugins/propertytables/propertymodel.cpp:529 #: qtplugins/propertytables/propertymodel.cpp:570 #: qtplugins/propertytables/propertymodel.cpp:587 #: qtplugins/symmetry/operationstablemodel.cpp:59 msgid "Type" msgstr "種類" #: qtplugins/propertytables/propertymodel.cpp:531 msgid "Start Atom" msgstr "起始原子" #: qtplugins/propertytables/propertymodel.cpp:533 #, fuzzy msgid "End Atom" msgstr "終止原子" #: qtplugins/propertytables/propertymodel.cpp:535 #, fuzzy msgid "Bond Order" msgstr "鍵的級數" #: qtplugins/propertytables/propertymodel.cpp:539 #, fuzzy msgctxt "in Angstrom" msgid "Length (Å)" msgstr "長度 (Å)" #: qtplugins/propertytables/propertymodel.cpp:554 msgid "Chain" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:556 #, fuzzy msgid "Secondary Structure" msgstr "二級結構" #: qtplugins/propertytables/propertymodel.cpp:558 msgid "Heterogen" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:572 #: qtplugins/propertytables/propertymodel.cpp:589 #, fuzzy msgid "Atom 1" msgstr "原子 1" #: qtplugins/propertytables/propertymodel.cpp:574 msgid "Vertex" msgstr "頂點" #: qtplugins/propertytables/propertymodel.cpp:576 #: qtplugins/propertytables/propertymodel.cpp:593 #, fuzzy msgid "Atom 3" msgstr "原子 3" #: qtplugins/propertytables/propertymodel.cpp:578 #: qtplugins/propertytables/propertymodel.cpp:597 #, fuzzy msgid "Angle (°)" msgstr "角度 (°)" #: qtplugins/propertytables/propertymodel.cpp:591 #, fuzzy msgid "Atom 2" msgstr "原子 2" #: qtplugins/propertytables/propertymodel.cpp:595 #, fuzzy msgid "Atom 4" msgstr "原子 4" #: qtplugins/propertytables/propertymodel.cpp:608 msgctxt "root mean squared displacement in Angstrom" msgid "RMSD (Å)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:611 msgid "Energy (kcal/mol)" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:807 msgid "Adjust Fragment" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:933 #, fuzzy msgctxt "pi helix" msgid "π Helix" msgstr "π 螺旋" #: qtplugins/propertytables/propertymodel.cpp:935 msgctxt "protein bend secondary structure" msgid "Bend" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:937 #, fuzzy msgctxt "alpha helix" msgid "α Helix" msgstr "α 螺旋" #: qtplugins/propertytables/propertymodel.cpp:939 #, fuzzy msgctxt "beta sheet" msgid "β Sheet" msgstr "β 平板" #: qtplugins/propertytables/propertymodel.cpp:941 #, fuzzy msgctxt "3-10 helix" msgid "3-10 helix" msgstr "3-10 螺旋" #: qtplugins/propertytables/propertymodel.cpp:943 msgctxt "beta bridge" msgid "β Bridge" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:945 msgctxt "protein turn secondary structure" msgid "Turn" msgstr "" #: qtplugins/propertytables/propertymodel.cpp:947 msgctxt "protein coil secondary structure" msgid "Coil" msgstr "" #: qtplugins/propertytables/propertytables.cpp:27 msgid "Atom Properties…" msgstr "原子的性質…" #: qtplugins/propertytables/propertytables.cpp:34 msgid "Bond Properties…" msgstr "鍵的性質…" #: qtplugins/propertytables/propertytables.cpp:41 msgid "Angle Properties…" msgstr "鍵角的性質…" #: qtplugins/propertytables/propertytables.cpp:48 msgid "Torsion Properties…" msgstr "扭力的性質…" #: qtplugins/propertytables/propertytables.cpp:55 msgid "Residue Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:63 msgid "Conformer Properties…" msgstr "" #: qtplugins/propertytables/propertytables.cpp:75 #, fuzzy msgid "" "Tables for displaying and editng atom, bond, angle and torsion properties." msgstr "這些視窗可以用來顯示原子, 鍵, 鍵角, 及扭力性質等." #: qtplugins/propertytables/propertytables.h:29 msgid "PropertyTables" msgstr "" #: qtplugins/propertytables/propertyview.cpp:44 msgid "Atom Properties" msgstr "原子的性質" #: qtplugins/propertytables/propertyview.cpp:47 msgid "Bond Properties" msgstr "鍵的性質" #: qtplugins/propertytables/propertyview.cpp:50 msgid "Angle Properties" msgstr "鍵角的性質" #: qtplugins/propertytables/propertyview.cpp:53 msgid "Torsion Properties" msgstr "扭力的性質" #: qtplugins/propertytables/propertyview.cpp:56 msgid "Conformer Properties" msgstr "異構物性質" #: qtplugins/propertytables/propertyview.cpp:59 #, fuzzy msgid "Residue Properties" msgstr "殘基性質" #: qtplugins/qtaim/qtaimengine.h:25 qtplugins/qtaim/qtaimextension.cpp:68 #: qtplugins/qtaim/qtaimextension.h:22 msgid "QTAIM" msgstr "QTAIM" #: qtplugins/qtaim/qtaimengine.h:29 msgid "Renders primitives using QTAIM properties" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:41 #, fuzzy msgid "Molecular Graph…" msgstr "分子軌域…" #: qtplugins/qtaim/qtaimextension.cpp:48 msgid "Molecular Graph with Lone Pairs…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:55 msgid "Atomic Charge…" msgstr "" #: qtplugins/qtaim/qtaimextension.cpp:93 msgid "Open WFN File" msgstr "開啟 WFN 檔" #: qtplugins/qtaim/qtaimextension.cpp:94 msgid "WFN files (*.wfn);;All files (*.*)" msgstr "WFN 檔 (*.wfn);;所有檔案 (*.*)" #: qtplugins/qtaim/qtaimextension.h:23 msgid "QTAIM extension" msgstr "QTAIM 延伸" #: qtplugins/quantuminput/quantuminput.h:42 msgid "Quantum input" msgstr "" #: qtplugins/quantuminput/quantuminput.h:46 msgid "Generate input for quantum codes." msgstr "" #: qtplugins/resetview/resetview.cpp:38 msgid "Center" msgstr "" #: qtplugins/resetview/resetview.cpp:39 msgid "Align View to Axes" msgstr "" #: qtplugins/resetview/resetview.cpp:52 msgid "Align view to axes." msgstr "" #: qtplugins/resetview/resetview.h:26 #, fuzzy msgid "Reset view" msgstr "重設" #: qtplugins/resetview/resetview.h:29 msgid "Manipulate the view camera." msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:32 msgid "Script Charge Models" msgstr "" #: qtplugins/scriptcharges/scriptcharges.h:36 msgid "Load electrostatic models from external scripts." msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:28 msgid "Script File Formats" msgstr "" #: qtplugins/scriptfileformats/scriptfileformats.h:32 msgid "Load file reader/writers from external scripts." msgstr "" #: qtplugins/select/select.cpp:31 msgid "Select All" msgstr "" #: qtplugins/select/select.cpp:37 msgid "Select None" msgstr "" #: qtplugins/select/select.cpp:48 qtplugins/select/select.cpp:553 msgid "Invert Selection" msgstr "" #: qtplugins/select/select.cpp:53 msgid "Select by Element…" msgstr "依元素選擇…" #: qtplugins/select/select.cpp:58 msgid "Select by Atom Index…" msgstr "" #: qtplugins/select/select.cpp:63 #, fuzzy #| msgid "Select by Residue..." msgid "Select by Residue…" msgstr "依照殘基來選擇" #: qtplugins/select/select.cpp:68 msgid "Select Backbone Atoms…" msgstr "" #: qtplugins/select/select.cpp:73 msgid "Select Sidechain Atoms…" msgstr "" #: qtplugins/select/select.cpp:78 qtplugins/select/select.cpp:217 msgid "Select Water" msgstr "" #: qtplugins/select/select.cpp:88 qtplugins/select/select.cpp:377 msgid "Enlarge Selection" msgstr "" #: qtplugins/select/select.cpp:93 qtplugins/select/select.cpp:416 msgid "Shrink Selection" msgstr "" #: qtplugins/select/select.cpp:103 msgid "Create New Layer from Selection" msgstr "" #: qtplugins/select/select.cpp:117 msgid "Change selections" msgstr "" #: qtplugins/select/select.cpp:127 msgid "&Select" msgstr "選取" #: qtplugins/select/select.cpp:180 #, fuzzy #| msgid "Color by Element" msgid "Select Element" msgstr "所選元素" #: qtplugins/select/select.cpp:269 msgid "Select Backbone" msgstr "" #: qtplugins/select/select.cpp:308 msgid "Select Sidechain" msgstr "" #: qtplugins/select/select.cpp:440 msgid "Select Atoms by Index" msgstr "" #: qtplugins/select/select.cpp:441 msgid "Atoms to Select:" msgstr "" #: qtplugins/select/select.cpp:446 #, fuzzy #| msgid "Delete Atom" msgid "Select Atom" msgstr "選擇原子" #: qtplugins/select/select.cpp:485 msgid "Select Atoms by Residue" msgstr "" #: qtplugins/select/select.cpp:486 msgid "Residues to Select:" msgstr "" #: qtplugins/select/select.cpp:491 #, fuzzy #| msgid "Select by Residue..." msgid "Select Residue" msgstr "選擇殘基" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:186 #. i18n: ectx: property (text), widget (QPushButton, selectSubgroupButton) #: qtplugins/select/select.h:30:1926 #, fuzzy msgid "Select" msgstr "選取" #: qtplugins/selectiontool/selectiontool.cpp:50 msgctxt "control-key 5" msgid "Ctrl+5" msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:51 msgid "Selection" msgstr "選擇" #: qtplugins/selectiontool/selectiontool.cpp:53 #, qt-format msgid "" "Selection Tool \t(%1)\n" "\n" "Left Mouse: \tClick to pick individual atoms, residues, or fragments\n" "\tDrag to select a range of atoms\n" "Right Mouse: \tClick outside the molecule to clear selection\n" "Use Ctrl to toggle the selection and shift to add to the selection.\n" "Double-Click: \tSelect an entire fragment." msgstr "" #: qtplugins/selectiontool/selectiontool.cpp:247 msgid "Paint Atoms" msgstr "" #: qtplugins/selectiontool/selectiontool.h:32 #: qtplugins/selectiontool/selectiontool.h:33 msgid "Selection tool" msgstr "" #: qtplugins/selectiontool/selectiontoolwidget.cpp:35 msgid "New Layer" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:50 msgid "Perceive Space Group…" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:99 #. i18n: ectx: property (text), widget (QPushButton, symmetrizeMoleculeButton) #: qtplugins/spacegroup/spacegroup.cpp:68:1911 msgid "Symmetrize" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:73 #, fuzzy #| msgid "Fill Unit Cell" msgid "Fill Unit Cell…" msgstr "填入單位晶胞" #: qtplugins/spacegroup/spacegroup.cpp:78 #: qtplugins/spacegroup/spacegroup.cpp:334 msgid "Reduce to Asymmetric Unit" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:84 msgid "Set Tolerance…" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:105 msgid "Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:112 msgid "Fill symmetric atoms based on the crystal space group." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:187 msgid "Perceive Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:188 #, qt-format msgid "" "The space group is already set to: %1.\n" "Would you like to overwrite it?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:218 msgid "Failure" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:219 msgid "" "Space group perception failed.\n" "Would you like to try again with a different tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:234 msgid "Primitive Reduction" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:235 #: qtplugins/spacegroup/spacegroup.cpp:260 #: qtplugins/spacegroup/spacegroup.cpp:285 #, qt-format msgid "" "The tolerance is currently set to: %1.\n" "Proceed with this tolerance?" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:248 msgid "" "Primitive reduction failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:273 msgid "" "Conventionalize cell failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:297 msgid "" "Symmetrization failed.\n" "Please check your crystal and try again with a different tolerance." msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:355 qtplugins/yaehmop/yaehmop.cpp:208 #: qtplugins/yaehmop/yaehmop.cpp:298 qtplugins/yaehmop/yaehmop.cpp:310 #: qtplugins/yaehmop/yaehmop.cpp:323 qtplugins/yaehmop/yaehmop.cpp:432 #, fuzzy msgid "Avogadro2" msgstr "Avogadro2 亞佛加厥2" #: qtplugins/spacegroup/spacegroup.cpp:356 msgid "Select tolerance in Å:" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "International" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hall" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:372 msgid "Hermann-Mauguin" msgstr "" #: qtplugins/spacegroup/spacegroup.cpp:385 msgid "Select Space Group" msgstr "" #: qtplugins/spacegroup/spacegroup.h:24 msgid "SpaceGroup" msgstr "" #: qtplugins/spacegroup/spacegroup.h:70 msgid "Space group features for crystals." msgstr "" #: qtplugins/spectra/spectra.cpp:29 msgid "Plot Spectra…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:39 #. i18n: ectx: attribute (title), widget (QWidget, tab_spectra) #: qtplugins/spectra/spectra.h:36:1646 #, fuzzy #| msgid "Spectra" msgid "Spectra" msgstr "光譜" #: qtplugins/spectra/spectra.h:38 msgid "Display spectra plots." msgstr "" #: qtplugins/spectra/spectradialog.cpp:436 #, fuzzy #| msgctxt "Infrared spectra option" #| msgid "Infrared" msgid "Infrared" msgstr "紅外線" #: qtplugins/spectra/spectradialog.cpp:440 #, fuzzy #| msgctxt "Raman spectrum" #| msgid "Raman" msgid "Raman" msgstr "拉曼" #: qtplugins/spectra/spectradialog.cpp:443 msgid "NMR" msgstr "NMR" #: qtplugins/spectra/spectradialog.cpp:446 #, fuzzy #| msgid "Electron Density" msgid "Electronic" msgstr "電子" #: qtplugins/spectra/spectradialog.cpp:450 msgid "Circular Dichroism" msgstr "" #: qtplugins/spectra/spectradialog.cpp:454 #: qtplugins/spectra/spectradialog.cpp:653 #, fuzzy #| msgid "&Density Of States Settings" msgid "Density of States" msgstr "態密度" #: qtplugins/spectra/spectradialog.cpp:496 msgid "Select Background Color" msgstr "選擇背景顏色" #: qtplugins/spectra/spectradialog.cpp:509 msgid "Select Foreground Color" msgstr "選擇前景顏色" #: qtplugins/spectra/spectradialog.cpp:522 msgid "Select Calculated Spectra Color" msgstr "選擇計算的光譜之顏色" #: qtplugins/spectra/spectradialog.cpp:534 msgid "Select Imported Spectra Color" msgstr "選擇匯入的光譜之顏色" #: qtplugins/spectra/spectradialog.cpp:580 msgid "Wavelength (nm)" msgstr "" #: qtplugins/spectra/spectradialog.cpp:586 #, fuzzy msgid "Vibrational Spectra" msgstr "振動光譜" #: qtplugins/spectra/spectradialog.cpp:587 #: qtplugins/spectra/spectradialog.cpp:601 msgid "Wavenumbers (cm⁻¹)" msgstr "波數 (cm⁻¹)" #: qtplugins/spectra/spectradialog.cpp:588 msgid "Transmission" msgstr "" #: qtplugins/spectra/spectradialog.cpp:600 #, fuzzy #| msgid "Import Spectra" msgid "Raman Spectra" msgstr "拉曼光譜" #: qtplugins/spectra/spectradialog.cpp:602 #: qtplugins/spectra/spectradialog.cpp:615 #: qtplugins/spectra/spectradialog.cpp:629 #: qtplugins/spectra/spectradialog.cpp:642 msgid "Intensity" msgstr "強度" #: qtplugins/spectra/spectradialog.cpp:613 #, fuzzy #| msgid "Spectra" msgid "NMR Spectra" msgstr "NMR光譜" #: qtplugins/spectra/spectradialog.cpp:614 #, fuzzy #| msgid "Shift (ppm)" msgid "Chemical Shift (ppm)" msgstr "化學位移 (ppm)" #: qtplugins/spectra/spectradialog.cpp:627 #, fuzzy #| msgid "Electron Density" msgid "Electronic Spectra" msgstr "電子光譜" #: qtplugins/spectra/spectradialog.cpp:628 #: qtplugins/spectra/spectradialog.cpp:641 #: qtplugins/spectra/spectradialog.cpp:654 #: qtplugins/surfaces/orbitaltablemodel.cpp:108 msgid "Energy (eV)" msgstr "能量 (eV)" #: qtplugins/spectra/spectradialog.cpp:640 msgid "Circular Dichroism Spectra" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:938 #. i18n: ectx: property (text), widget (QCheckBox, densityCheck) #: qtplugins/spectra/spectradialog.cpp:655:1544 msgid "Density" msgstr "" #: qtplugins/surfaces/orbitals.cpp:35 msgid "Molecular Orbitals…" msgstr "" #: qtplugins/surfaces/orbitals.h:48 msgid "Orbital Window" msgstr "" #: qtplugins/surfaces/orbitals.h:49 msgid "Display orbital lists." msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:106 msgid "Orbital" msgstr "軌域" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SymmetryWidget) #: qtplugins/surfaces/orbitaltablemodel.cpp:110 #: qtplugins/symmetry/symmetry.h:34:1896 msgid "Symmetry" msgstr "" #: qtplugins/surfaces/orbitaltablemodel.cpp:112 msgid "Status" msgstr "狀態" #: qtplugins/surfaces/orbitaltablemodel.cpp:124 #: qtplugins/surfaces/orbitaltablemodel.cpp:186 msgctxt "Highest Occupied MO" msgid "HOMO" msgstr "HOMO" #: qtplugins/surfaces/orbitaltablemodel.cpp:133 #: qtplugins/surfaces/orbitaltablemodel.cpp:187 msgctxt "Lowest Unoccupied MO" msgid "LUMO" msgstr "LUMO" #: qtplugins/surfaces/orbitalwidget.cpp:26 msgid "Molecular Orbitals" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:26 msgid "Solvent Accessible" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:28 msgid "Solvent Excluded" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:163 #, fuzzy msgid "Molecular Orbital" msgstr "分子軌域" #: qtplugins/surfaces/surfacedialog.cpp:166 msgid "Electron Density" msgstr "電子密度" #: qtplugins/surfaces/surfacedialog.cpp:173 msgid "Spin Density" msgstr "" #: qtplugins/surfaces/surfacedialog.cpp:185 #, fuzzy, qt-format msgctxt "Molecular orbital" msgid "MO %L1" msgstr "MO %L1" #: qtplugins/surfaces/surfacedialog.cpp:187 #, fuzzy msgctxt "Highest occupied molecular orbital" msgid "(HOMO)" msgstr "(HOMO, 最高被佔有軌域)" #: qtplugins/surfaces/surfacedialog.cpp:189 #, fuzzy msgctxt "Lowest unoccupied molecular orbital" msgid "(LUMO)" msgstr "(LUMO, 最低未被佔有軌域)" #: qtplugins/surfaces/surfacedialog.cpp:204 msgid "From File" msgstr "" #: qtplugins/surfaces/surfaces.cpp:84 #, fuzzy #| msgid "Create Surfaces" msgid "Create Surfaces…" msgstr "產生外觀" #: qtplugins/surfaces/surfaces.cpp:112 msgid "Render the van der Waals surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:114 msgid "Render the van der Waals molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:116 msgid "Render the solvent-accessible molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:118 msgid "Render the solvent-excluded molecular surface." msgstr "" #: qtplugins/surfaces/surfaces.cpp:119 qtplugins/surfaces/surfaces.cpp:120 #, fuzzy msgid "Render a molecular orbital." msgstr "渲染分子軌域" #: qtplugins/surfaces/surfaces.cpp:122 #, fuzzy msgid "Render the electron density." msgstr "渲染電子密度" #: qtplugins/surfaces/surfaces.cpp:123 msgid "Render the spin density." msgstr "" #: qtplugins/surfaces/surfaces.cpp:125 msgid "Render a cube supplied with the file." msgstr "" #: qtplugins/surfaces/surfaces.cpp:586 #, fuzzy msgid "Calculating electron density" msgstr "計算電子密度" #: qtplugins/surfaces/surfaces.cpp:595 msgid "Calculating spin density" msgstr "" #: qtplugins/surfaces/surfaces.cpp:604 #, qt-format msgid "Calculating molecular orbital %L1" msgstr "" #: qtplugins/surfaces/surfaces.cpp:865 qtplugins/surfaces/surfaces.cpp:893 msgid "Movie AVI (*.avi)" msgstr "" #: qtplugins/surfaces/surfaces.cpp:867 msgid "Export Movie" msgstr "" #: qtplugins/surfaces/surfaces.cpp:868 msgid "Movie MP4 (*.mp4);;Movie AVI (*.avi);;GIF (*.gif)" msgstr "" #: qtplugins/surfaces/surfaces.h:71 msgid "Surfaces" msgstr "表面/曲面" #: qtplugins/surfaces/surfaces.h:74 msgid "Read and render surfaces." msgstr "" #: qtplugins/svg/svg.cpp:30 msgid "&SVG…" msgstr "" #: qtplugins/svg/svg.cpp:258 msgid "SVG (*.svg)" msgstr "" #: qtplugins/svg/svg.h:27 msgid "SVG" msgstr "SVG" #: qtplugins/svg/svg.h:31 msgid "Render the scene in a SVG file." msgstr "" #: qtplugins/symmetry/operationstablemodel.cpp:61 msgid "Class" msgstr "" #: qtplugins/symmetry/symmetry.cpp:41 msgid "Symmetry…" msgstr "" #: qtplugins/symmetry/symmetry.h:67 msgid "Provide symmetry functionality." msgstr "" #: qtplugins/symmetry/symmetryscene.h:37 msgid "Render symmetry elements." msgstr "" #: qtplugins/symmetry/symmetryutil.cpp:36 msgid "∞" msgstr "" #: qtplugins/symmetry/symmetrywidget.cpp:331 #, fuzzy, qt-format msgid "Group %1" msgstr "群組 %1" #: qtplugins/symmetry/symmetrywidget.cpp:339 #, qt-format msgid "%1 %2" msgstr "" #: qtplugins/templatetool/templatetool.cpp:81 msgctxt "control-key 3" msgid "Ctrl+3" msgstr "" #: qtplugins/templatetool/templatetool.cpp:82 msgid "Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:84 #, qt-format msgid "" "Template Tool \t(%1)\n" "\n" "Insert fragments, including metal centers.\n" "Select an element and coordination geometry,then click to insert a " "fragment.\n" "\n" "Select a ligand or functional group and clickon a hydrogen atom to attach it." msgstr "" #: qtplugins/templatetool/templatetool.cpp:316 #: qtplugins/templatetool/templatetool.cpp:484 msgid "Clipboard" msgstr "" #: qtplugins/templatetool/templatetool.cpp:404 msgid "Insert Template" msgstr "" #: qtplugins/templatetool/templatetool.cpp:679 msgid "Insert Ligand" msgstr "" #: qtplugins/templatetool/templatetool.h:35 #: qtplugins/templatetool/templatetool.h:36 msgid "Template tool" msgstr "" #: qtplugins/vanderwaals/vanderwaals.h:33 msgid "Simple display of VdW spheres." msgstr "" #: qtplugins/vibrations/vibrations.cpp:27 msgid "Vibrational Modes…" msgstr "" #: qtplugins/vibrations/vibrations.cpp:90 msgid "Show the vibrational modes dialog." msgstr "" #: qtplugins/vibrations/vibrations.cpp:91 msgid "Set the vibrational mode." msgstr "" #: qtplugins/vibrations/vibrations.cpp:93 msgid "Set the vibrational amplitude." msgstr "" #: qtplugins/vibrations/vibrations.cpp:95 msgid "Start the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.cpp:97 msgid "Stop the vibrational animation." msgstr "" #: qtplugins/vibrations/vibrations.h:33 #, fuzzy #| msgid "Vibration" msgid "Vibrations" msgstr "振動" #: qtplugins/vibrations/vibrations.h:37 msgid "Display vibrational modes." msgstr "" #: qtplugins/vrml/vrml.cpp:29 msgid "VRML Render…" msgstr "" #: qtplugins/vrml/vrml.cpp:71 msgid "VRML (*.wrl);;Text file (*.txt)" msgstr "" #: qtplugins/vrml/vrml.h:25 msgid "VRML" msgstr "" #: qtplugins/vrml/vrml.h:29 msgid "Render the scene using VRML." msgstr "" #: qtplugins/wireframe/wireframe.h:32 msgid "Render the molecule as a wireframe." msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:90 msgid "Calculate Band Structure…" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:111 msgid "&Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:209 qtplugins/yaehmop/yaehmop.cpp:433 msgid "Cannot calculate band structure: no unit cell!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:299 #, qt-format msgid "" "Yaehmop execution failed with the following error:\n" "%1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:309 msgid "Failed to read band structure output from Yaehmop!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:321 msgid "" "Only one special k point was found in Yaehmop output! Two or more are " "required!" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:367 #, qt-format msgid "Band %1" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:387 msgid "Fermi Level" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:533 msgid "Cannot find Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.cpp:544 #, fuzzy, qt-format #| msgid "MOPAC failed to start." msgid "Error: %1 failed to start" msgstr "無法啟動 %1" #: qtplugins/yaehmop/yaehmop.cpp:595 msgid "Yaehmop Input" msgstr "" #: qtplugins/yaehmop/yaehmop.h:35 msgid "Yaehmop" msgstr "" #: qtplugins/yaehmop/yaehmop.h:84 msgid "Perform extended Hückel calculations with yaehmop." msgstr "" #. i18n: file: molequeue/inputgeneratordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::InputGeneratorDialog) #. i18n: file: molequeue/molequeuedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::MoleQueue::MoleQueueDialog) msgid "Dialog" msgstr "對話框" #. i18n: file: molequeue/inputgeneratorwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::InputGeneratorWidget) #. i18n: file: molequeue/molequeuewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::MoleQueue::MoleQueueWidget) #. i18n: file: qtplugins/bonding/bondingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, BondingDialog) #. i18n: file: qtplugins/editor/editortoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::EditorToolWidget) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, ManipulateWidget) #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:14 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::SelectionToolWidget) #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, OrbitalWidget) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, Avogadro::QtPlugins::TemplateToolWidget) msgid "Form" msgstr "Form (表格/形成)" #. i18n: file: molequeue/inputgeneratorwidget.ui:26 #. i18n: ectx: property (title), widget (QGroupBox, groupBox2) msgid "Calculation Settings" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:69 #. i18n: ectx: property (text), widget (QPushButton, warningTextButton) msgid "Placeholder text…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:86 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:918 #. i18n: ectx: property (text), widget (QPushButton, resetButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:982 #. i18n: ectx: property (text), widget (QPushButton, resetButton) msgid "Reset" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:93 #. i18n: ectx: property (text), widget (QCheckBox, debugCheckBox) msgid "Debug Script…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:116 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:52 #. i18n: ectx: property (text), widget (QPushButton, computeButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:288 #. i18n: ectx: property (text), widget (QPushButton, computeButton) msgid "Submit Calculation…" msgstr "" #. i18n: file: molequeue/inputgeneratorwidget.ui:123 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Save Input…" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:30 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Queue and Program:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:50 #. i18n: ectx: property (text), widget (QToolButton, refreshProgramsButton) msgid "Refresh" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:85 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) msgid "" "

      Number of processor cores to reserve for this job." msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Processor cores:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:125 #. i18n: ectx: property (toolTip), widget (QLabel, label) msgid "" "

      Delete remote working files upon job completion. " "Results will still be copied to the local MoleQueue job cache first.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:128 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Delete remote files when finished:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:145 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) msgid "" "

      Check to prevent this job from showing up in the " "MoleQueue GUI by default.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:148 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Hide job in MoleQueue:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:158 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) msgid "" "

      Show a system popup notification when the job's status " "changes.

      " msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:161 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Show progress notifications:" msgstr "" #. i18n: file: molequeue/molequeuewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, openOutputLabel) msgid "Open output when finished:" msgstr "" #. i18n: file: qtgui/customelementdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::CustomElementDialog) msgid "Rename Elements" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtGui::InsertFragmentDialog) #, fuzzy #| msgid "Insert Fragment" msgid "Insert Fragment…" msgstr "插入片斷…" #. i18n: file: qtgui/insertfragmentdialog.ui:22 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Filter:" msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:29 #. i18n: ectx: property (toolTip), widget (QLineEdit, filterLineEdit) msgid "Type a name or part of a name to show only matching files." msgstr "" #. i18n: file: qtgui/insertfragmentdialog.ui:86 #. i18n: ectx: property (text), widget (QPushButton, insertFragmentButton) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:227 #. i18n: ectx: property (text), widget (QPushButton, insertButton) msgid "Insert" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:17 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ThreeDMolDialog) msgid "3DMol HTML Snippet" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:34 #. i18n: ectx: property (text), widget (QPushButton, copyButton) msgid "&Copy to Clipboard" msgstr "" #. i18n: file: qtplugins/3dmol/3dmoldialog.ui:37 #. i18n: ectx: property (shortcut), widget (QPushButton, copyButton) msgid "Ctrl+C" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Structure Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:28 #. i18n: ectx: property (text), widget (QRadioButton, generateFromPdbButton) msgid "Generate Input From PDB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, pdbFileLabel) msgid "PDB File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:50 #. i18n: ectx: property (text), widget (QPushButton, openPdbFileButton) #. i18n: file: qtplugins/apbs/apbsdialog.ui:142 #. i18n: ectx: property (text), widget (QPushButton, openPqrFileButton) msgid "..." msgstr "..." #. i18n: file: qtplugins/apbs/apbsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force Field:" msgstr "力場" #. i18n: file: qtplugins/apbs/apbsdialog.ui:75 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "AMBER" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:80 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "CHARMM" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:85 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PARSE" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:90 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "TYL06" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:95 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "PEOEPB" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:100 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldComboBox) msgid "SWANSON" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:114 #. i18n: ectx: property (text), widget (QPushButton, runPdb2PqrButton) msgid "Run PDB2PQR" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:123 #. i18n: ectx: property (text), widget (QRadioButton, loadFromPqrButton) msgid "Load Existing PQR File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, pqrFileLabel) msgid "PQR File:" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:156 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "APBS Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:170 #. i18n: ectx: property (text), widget (QPushButton, saveInputFileButton) msgid "Save Input File" msgstr "" #. i18n: file: qtplugins/apbs/apbsdialog.ui:177 #. i18n: ectx: property (text), widget (QPushButton, runApbsButton) msgid "Run APBS" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Success!" msgstr "成功了!" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:27 #. i18n: ectx: property (text), widget (QCheckBox, loadStructureCheckBox) msgid "Load Structure File" msgstr "" #. i18n: file: qtplugins/apbs/apbsoutputdialog.ui:37 #. i18n: ectx: property (text), widget (QCheckBox, loadCubeCheckBox) msgid "Load Cube File" msgstr "" #. i18n: file: qtplugins/applycolors/chargedialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ChargeDialog) #, fuzzy #| msgid "Partial charge" msgid "Partial Charges" msgstr "部份電荷" #. i18n: file: qtplugins/applycolors/chargedialog.ui:66 #. i18n: ectx: property (text), widget (QLabel, chargeModelLabel) msgid "Charge Model:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Distance Tolerance:" msgstr "" #. i18n: file: qtplugins/bonding/bondingdialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Minimum Distance:" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ComDialog) msgid "Volume Rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:32 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Cube" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Enable volume rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Enable surface rendering" msgstr "" #. i18n: file: qtplugins/coloropacitymap/comdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Isovalue" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:29 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Only the “base” conda environment exists.\n" "Would you like to create a new environment for Avogadro?\n" "This will make a copy of your base environment.\n" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment name:" msgstr "" #. i18n: file: qtplugins/configurepython/condadialog.ui:45 #. i18n: ectx: property (placeholderText), widget (QLineEdit, environmentName) msgid "avogadro" msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, textLabel) msgid "" "Select the Python version used to run scripts.\n" "Avogadro must be restarted for any changes to take effect." msgstr "" #. i18n: file: qtplugins/configurepython/configurepythondialog.ui:36 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Environment:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::CoordinateEditorDialog) msgid "Coordinate Editor" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Preset:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:35 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Distance Unit:" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:46 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Angstrom" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, distanceUnit) msgid "Bohr" msgstr "Bohr" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_2) #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:31 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Format:" msgstr "格式:" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:71 #. i18n: ectx: property (toolTip), widget (QLineEdit, spec) msgid "" "

      Specification of format. Each character indicates a " "value to write per atom:

      # - " "Atom index (1, 2, ..., numAtoms)
      Z - Atomic number (e.g. \"6\" for carbon)
      G - GAMESS-style atomic number (e.g. \"6.0\" for " "carbon)
      N - Element name (e.g. " "\"Carbon\")
      S - Element symbol " "(e.g. \"C\" for carbon)
      L - " "Atom label (e.g., \"C2\" for second carbon atom, \"H1\" for first hydrogen) " "
      x - X position coordinate
      y - Y position coordinate
      z - Z position coordinate
      a - 'a' lattice coordinate " "(crystals only)
      b - 'b' lattice " "coordinate (crystals only)
      c - " "'c' lattice coordinate (crystals only)
      _ - A literal space (\" \"), useful for alignment
      0 - A literal 0 (\"0\"), useful for " "optimization flags
      1 - A " "literal 1 (\"1\"), useful for optimization flags

      " msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:78 #. i18n: ectx: property (text), widget (QToolButton, help) msgid "Help…" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:115 #. i18n: ectx: property (text), widget (QToolButton, paste) msgid "Paste" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:135 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "Revert" msgstr "" #. i18n: file: qtplugins/coordinateeditor/coordinateeditordialog.ui:149 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "Apply" msgstr "套用" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Cp2kInputDialog) msgid "CP2K Input" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:22 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:258 #. i18n: ectx: property (text), widget (QPushButton, resetAllButton) msgid "Reset All" msgstr "恢復預設值" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:29 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:265 #. i18n: ectx: property (text), widget (QPushButton, defaultsButton) msgid "Defaults" msgstr "預設值" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:59 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:295 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #, fuzzy msgid "Save File…" msgstr "儲存影片檔" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:95 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:34 #. i18n: ectx: attribute (title), widget (QWidget, basicWidget) msgid "&Basic Setup" msgstr "建立" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:101 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_8) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Title:" msgstr "標題:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:235 #. i18n: ectx: property (text), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Filename Base:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:124 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:245 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:70 #. i18n: ectx: property (placeholderText), widget (QLineEdit, baseNameEdit) msgid "job" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:209 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Calculate:" msgstr "計算:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:164 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Method:" msgstr "方式:" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:197 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Basis set:" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:215 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Functional" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:258 #. i18n: ectx: attribute (title), widget (QWidget, tab) msgid "MM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:264 #. i18n: ectx: property (text), widget (QLabel, emaxSplineSpin_label) msgid "FF Emax Spline Spin" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:304 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "FF RCUT NB" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:341 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Poisson EWALD type" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Poisson EWALD Alpha" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:399 #. i18n: ectx: property (text), widget (QLabel, label_23) msgid "Poisson EWALD GMAX" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:434 #. i18n: ectx: attribute (title), widget (QWidget, tab_2) msgid "QM" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:440 #. i18n: ectx: property (text), widget (QLabel, LSD_label) msgid "LSD" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:449 #. i18n: ectx: property (text), widget (QCheckBox, lsdcheckBox) msgid "TRUE" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:471 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:505 #. i18n: ectx: property (text), widget (QLabel, label_14) msgid "EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:539 #. i18n: ectx: property (text), widget (QLabel, label_13) msgid "SCF GUESS" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:566 #. i18n: ectx: property (text), widget (QLabel, label_24) msgid "OUTER MAX SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:600 #. i18n: ectx: property (text), widget (QLabel, label_25) msgid "OUTER EPS SCF" msgstr "" #. i18n: file: qtplugins/cp2kinput/cp2kinputdialog.ui:634 #. i18n: ectx: property (text), widget (QLabel, label_26) msgid "OT T MINIMIZER" msgstr "" #. i18n: file: qtplugins/crystal/importcrystaldialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "File extension for Open Babel conversion (default - Avogadro::POSCAR):" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::SupercellDialog) msgid "Supercell Parameters" msgstr "" #. i18n: file: qtplugins/crystal/supercelldialog.ui:22 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "Super Cell Options" msgstr "超級晶格選項" #. i18n: file: qtplugins/crystal/supercelldialog.ui:28 #. i18n: ectx: property (text), widget (QLabel, aRepeatLabel) msgid "A repeat:" msgstr "A 重複:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:42 #. i18n: ectx: property (text), widget (QLabel, bRepeatLabel) msgid "B repeat:" msgstr "B 重複:" #. i18n: file: qtplugins/crystal/supercelldialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, cRepeatLabel) msgid "C repeat:" msgstr "C 重複:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::UnitCellDialog) msgid "Unit Cell Editor" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:27 #. i18n: ectx: property (text), widget (QLabel, label) msgid "A:" msgstr "A:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:62 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "B:" msgstr "B:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:94 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "C:" msgstr "C:" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "α:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:143 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "β:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:153 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "γ:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, alpha) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:182 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, gamma) #. i18n: file: qtplugins/crystal/unitcelldialog.ui:201 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, beta) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, xRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:163 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, yRotateSpinBox) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:179 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, zRotateSpinBox) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:26 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_max2Theta) #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:48 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_peakWidth) msgid "°" msgstr "°" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:231 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Cell Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:248 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Fractional Matrix:" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:278 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:114 #. i18n: ectx: property (text), widget (QCheckBox, transformAtoms) msgid "&Transform Atoms" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:300 #. i18n: ectx: property (text), widget (QPushButton, apply) msgid "&Apply" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:307 #. i18n: ectx: property (text), widget (QPushButton, revert) msgid "&Revert" msgstr "" #. i18n: file: qtplugins/crystal/unitcelldialog.ui:314 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Hide" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::VolumeScalingDialog) msgid "Scale Unit Cell Volume" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:25 #. i18n: ectx: property (text), widget (QLabel, label) msgid "New &Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:38 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "&Scaling Factor:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:51 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Current Volume:" msgstr "" #. i18n: file: qtplugins/crystal/volumescalingdialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, currentVolume) msgid "TextLabel" msgstr "文字標籤" #. i18n: file: qtplugins/editor/editortoolwidget.ui:33 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Bond Order:" msgstr "鍵的級數:" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::ForceFieldDialog) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::OBForceFieldDialog) msgid "Geometry Optimization Parameters" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:207 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_3) msgid "Convergence Criteria" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Energy convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_5) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Step limit:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:59 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:104 #. i18n: ectx: property (suffix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:227 #. i18n: ectx: property (suffix), widget (QSpinBox, energyConv) msgid " units" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:62 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:107 #. i18n: ectx: property (prefix), widget (QSpinBox, gradConv) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:230 #. i18n: ectx: property (prefix), widget (QSpinBox, energyConv) msgid "10^" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:78 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:75 #. i18n: ectx: property (suffix), widget (QSpinBox, optimizationStepsSpinBox) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:185 #. i18n: ectx: property (suffix), widget (QSpinBox, pairFreq) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:246 #. i18n: ectx: property (suffix), widget (QSpinBox, stepLimit) msgid " steps" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Gradient convergence:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:126 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:39 #. i18n: ectx: property (title), widget (QGroupBox, groupBox_2) msgid "Optimization Method" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:45 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Force field:" msgstr "" #. i18n: file: qtplugins/forcefield/forcefielddialog.ui:142 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:97 #. i18n: ectx: property (text), widget (QCheckBox, useRecommended) msgid "Autodetect" msgstr "" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, GamessInputDialog) msgid "GAMESS Input" msgstr "GAMESS (原子分子之電子結構系統) 輸入" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:60 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "In:" msgstr "In:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:73 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Multiplicity:" msgstr "多重性" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "With:" msgstr "With:" #. i18n: file: qtplugins/gamessinput/gamessinputdialog.ui:176 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Charge:" msgstr "電荷:" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:20 #. i18n: ectx: property (windowTitle), widget (QWidget, PQRWidget) msgid "Import From PQR…" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:34 #. i18n: ectx: property (text), widget (QPushButton, searchButton) msgid "Search" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:51 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "name" msgstr "名稱" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:56 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "tag" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:61 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "synonym" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:66 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "formula" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:71 #. i18n: ectx: property (text), item, widget (QComboBox, searchTypeBox) msgid "inchi" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:85 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Search By: " msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Formula:" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:132 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download" msgstr "" #. i18n: file: qtplugins/importpqr/pqrwidget.ui:139 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Name:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, InsertDNADialog) msgid "Insert Nucleic Acids" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, groupBox) msgid "DNA/RNA Builder" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:27 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "DNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:32 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "RNA" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:40 #. i18n: ectx: property (text), widget (QLabel, label_6) #, fuzzy #| msgid "Nucleus:" msgid "Nucleic Acids:" msgstr "核酸:" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:49 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_A) msgid "Adenine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:52 #. i18n: ectx: property (text), widget (QToolButton, toolButton_A) #, fuzzy #| msgid "A" msgctxt "adenine (A)" msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:59 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_C) msgid "Cytosine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:62 #. i18n: ectx: property (text), widget (QToolButton, toolButton_C) #, fuzzy #| msgid "C" msgctxt "cytosine (C)" msgid "C" msgstr "C" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:69 #. i18n: ectx: property (toolTip), widget (QToolButton, toolButton_G) msgid "Guanine" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:72 #. i18n: ectx: property (text), widget (QToolButton, toolButton_G) #, fuzzy #| msgid "G" msgctxt "guanine (G)" msgid "G" msgstr "G" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:82 #. i18n: ectx: property (text), widget (QToolButton, toolButton_TU) #, fuzzy #| msgid "T" msgctxt "thymine (T)" msgid "T" msgstr "T" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:104 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Sequence:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:120 #. i18n: ectx: property (toolTip), widget (QComboBox, bpCombo) #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:150 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, bpTurnsSpin) msgid "the number of base pairs per helix turn" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "A" msgstr "A" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) msgid "B" msgstr "B" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:137 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:93 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Z" msgstr "Z" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:142 #. i18n: ectx: property (text), item, widget (QComboBox, bpCombo) #, fuzzy #| msgid "Other" msgid "Other" msgstr "其他" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:172 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Bases Per Turn:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Strands:" msgstr "" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:190 #. i18n: ectx: property (text), widget (QRadioButton, singleStrandRadio) #, fuzzy #| msgid "Single" msgctxt "single-strand DNA" msgid "Single" msgstr "單鍵" #. i18n: file: qtplugins/insertdna/insertdnadialog.ui:197 #. i18n: ectx: property (text), widget (QRadioButton, doubleStrandRadio) #, fuzzy #| msgid "Double" msgctxt "double-strand DNA" msgid "Double" msgstr "雙鍵" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, LammpsInputDialog) msgid "LAMMPS Input" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:37 #. i18n: ectx: property (toolTip), widget (QLabel, label_7) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:50 #. i18n: ectx: property (toolTip), widget (QLineEdit, titleLine) msgid "Input file comments" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:77 #. i18n: ectx: property (toolTip), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QComboBox, unitsCombo) msgid "Select the unit style to be used during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:84 #. i18n: ectx: property (whatsThis), widget (QLabel, label_units) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:104 #. i18n: ectx: property (whatsThis), widget (QComboBox, unitsCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/units.html

      " msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label_units) msgid "Units" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:111 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "lj" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:116 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "real" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:121 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "metal" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:126 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "si" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:131 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) msgid "cgs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:136 #. i18n: ectx: property (text), item, widget (QComboBox, unitsCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:236 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "electron" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:144 #. i18n: ectx: property (text), widget (QLabel, label_waterPotential) msgid "Water Potential" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:157 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) msgid "SPC" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:162 #. i18n: ectx: property (text), item, widget (QComboBox, waterPotentialCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:140 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "SPC/E" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:177 #. i18n: ectx: property (toolTip), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:197 #. i18n: ectx: property (toolTip), widget (QComboBox, atomStyleCombo) msgid "Select atom_style used by the data file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:184 #. i18n: ectx: property (whatsThis), widget (QLabel, label_atomstyle) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:204 #. i18n: ectx: property (whatsThis), widget (QComboBox, atomStyleCombo) msgid "" "\n" "\n" "

      http://lammps.sandia.gov/doc/atom_style.html" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:187 #. i18n: ectx: property (text), widget (QLabel, label_atomstyle) msgid "Atom Style" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:211 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "angle" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:216 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "atomic" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:221 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "bond" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:226 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "charge" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:231 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "dipole" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:241 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "ellipsoid" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:246 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "full" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:251 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:256 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "meso" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:261 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "molecular" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:266 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "peri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:271 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "sphere" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:276 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "tri" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:281 #. i18n: ectx: property (text), item, widget (QComboBox, atomStyleCombo) msgid "wavepacket" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:289 #. i18n: ectx: property (toolTip), widget (QLabel, label_readdata) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:299 #. i18n: ectx: property (toolTip), widget (QLineEdit, readDataLine) msgid "Specify the name to be used for the coordinate file." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:292 #. i18n: ectx: property (text), widget (QLabel, label_readdata) msgid "Coordinate Data File" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:306 #. i18n: ectx: property (text), widget (QLabel, label_therm) msgid "Ensemble" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:314 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVT" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:319 #. i18n: ectx: property (text), item, widget (QComboBox, ensembleCombo) msgid "NVE" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:327 #. i18n: ectx: property (text), widget (QLabel, label_temp) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:745 #. i18n: ectx: property (text), widget (QLabel, label_9) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:918 #. i18n: ectx: property (text), widget (QCheckBox, temperatureCheck) msgid "Temperature" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:347 #. i18n: ectx: property (toolTip), widget (QLabel, label) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:357 #. i18n: ectx: property (toolTip), widget (QSpinBox, nhChainSpin) msgid "Select the number of Nosé-Hoover chains in the NVT ensemble." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:350 #. i18n: ectx: property (text), widget (QLabel, label) msgid "NH Chains" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:393 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:403 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:534 #. i18n: ectx: property (toolTip), widget (QLabel, label_timestep) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:544 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, stepSpin) msgid "" "Time step for the simulation in units according to \"Units\" specification." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:396 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Time Step" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:416 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:642 #. i18n: ectx: property (toolTip), widget (QLineEdit, dumpXYZEdit) msgid "Filename of the XYZ file to write during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:419 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Dump XYZ" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:433 #. i18n: ectx: property (toolTip), widget (QLabel, label_dimension) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:847 #. i18n: ectx: property (toolTip), widget (QComboBox, dimensionCombo) msgid "Number of dimensions in the system." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:436 #. i18n: ectx: property (text), widget (QLabel, label_dimension) msgid "Dimensions" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:446 #. i18n: ectx: property (toolTip), widget (QComboBox, zBoundaryCombo) msgid "Change Z boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:453 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:493 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:533 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "p" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:458 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:498 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:538 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "s" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:463 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:503 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:543 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "f" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:468 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:508 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:548 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "m" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:473 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:513 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:553 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fs" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:478 #. i18n: ectx: property (text), item, widget (QComboBox, zBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:518 #. i18n: ectx: property (text), item, widget (QComboBox, yBoundaryCombo) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:558 #. i18n: ectx: property (text), item, widget (QComboBox, xBoundaryCombo) msgid "fm" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:486 #. i18n: ectx: property (toolTip), widget (QComboBox, yBoundaryCombo) msgid "Change Y boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:526 #. i18n: ectx: property (toolTip), widget (QComboBox, xBoundaryCombo) msgid "Change X boundary style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:566 #. i18n: ectx: property (toolTip), widget (QLabel, label_boundary) msgid "Select boundary Styles in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:569 #. i18n: ectx: property (text), widget (QLabel, label_boundary) msgid "Boundary" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:589 #. i18n: ectx: property (toolTip), widget (QLabel, label_5) msgid "Number of replicants in X, Y and Z directions." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:592 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Replicate" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:612 #. i18n: ectx: property (toolTip), widget (QSpinBox, xReplicateSpin) msgid "Replicate the X direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:622 #. i18n: ectx: property (toolTip), widget (QSpinBox, yReplicateSpin) msgid "Replicate the Y direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:632 #. i18n: ectx: property (toolTip), widget (QSpinBox, zReplicateSpin) msgid "Replicate the Z direction." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:649 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:659 #. i18n: ectx: property (toolTip), widget (QSpinBox, runSpin) msgid "Total number of timesteps to run the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:652 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Total Steps" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:685 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Dump Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:715 #. i18n: ectx: property (toolTip), widget (QLabel, label_8) msgid "Set the initial atom velocities for the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:718 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Initial Velocities" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:725 #. i18n: ectx: property (toolTip), widget (QComboBox, velocityDistCombo) msgid "Select the distribution of initial atom velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:729 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "gaussian" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:734 #. i18n: ectx: property (text), item, widget (QComboBox, velocityDistCombo) msgid "uniform" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:742 #. i18n: ectx: property (toolTip), widget (QLabel, label_9) #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:752 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, velocityTempSpin) msgid "Set the initial atom velocities to match this temperature." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:768 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroMOMCheck) msgid "Remove system linear momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:771 #. i18n: ectx: property (text), widget (QCheckBox, zeroMOMCheck) msgid "Zero Linear Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:781 #. i18n: ectx: property (toolTip), widget (QCheckBox, zeroLCheck) msgid "Remove system angular momentum from initial velocities." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:784 #. i18n: ectx: property (text), widget (QCheckBox, zeroLCheck) msgid "Zero Angular Momentum" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:807 #. i18n: ectx: property (toolTip), widget (QLabel, label_10) msgid "Control the thermodynamic output during the simulation." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:810 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Output" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:817 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Output Interval" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:854 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "2d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:859 #. i18n: ectx: property (text), item, widget (QComboBox, dimensionCombo) msgid "3d" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:867 #. i18n: ectx: property (toolTip), widget (QComboBox, thermoStyleCombo) msgid "Thermodynamic output style." msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:871 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "One Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:876 #. i18n: ectx: property (text), item, widget (QComboBox, thermoStyleCombo) msgid "Multi Line" msgstr "" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:928 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:992 #. i18n: ectx: property (text), widget (QPushButton, enableFormButton) msgid "Use Form" msgstr "捨用表格" #. i18n: file: qtplugins/lammpsinput/lammpsinputdialog.ui:948 #. i18n: ectx: property (text), widget (QPushButton, generateButton) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:1012 #. i18n: ectx: property (text), widget (QPushButton, generateButton) msgid "Generate…" msgstr "" #. i18n: file: qtplugins/lineformatinput/lineformatinputdialog.ui:41 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Descriptor:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:79 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "X" msgstr "X" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:86 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Y" msgstr "Y" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:100 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Translate by:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:114 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Rotate around:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:122 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) #, fuzzy #| msgid "Origin:" msgid "Origin" msgstr "原點" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:127 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Molecule" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:132 #. i18n: ectx: property (text), item, widget (QComboBox, rotateComboBox) msgid "Center of Selection" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:192 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "X-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Y-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:206 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Z-axis" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:220 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "Move:" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:228 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Selected Atoms" msgstr "" #. i18n: file: qtplugins/manipulator/manipulatewidget.ui:233 #. i18n: ectx: property (text), item, widget (QComboBox, moveComboBox) msgid "Everything Else" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, ConformerSearchDialog) msgid "Conformer Search" msgstr "找尋構形異構物" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:20 #. i18n: ectx: property (title), widget (QGroupBox, systematicOptionsGroupBox) msgid "Method" msgstr "方法" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:26 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy #| msgid "Number of conformers" msgid "Number of conformers:" msgstr "構形異構物的數目：" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:40 #. i18n: ectx: property (text), widget (QRadioButton, systematicRadio) msgid "Systematic rotor search" msgstr "Systematic rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:47 #. i18n: ectx: property (text), widget (QRadioButton, randomRadio) msgid "Random rotor search" msgstr "Random rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:54 #. i18n: ectx: property (text), widget (QRadioButton, weightedRadio) msgid "Weighted rotor search" msgstr "Weighted rotor search" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:61 #. i18n: ectx: property (text), widget (QRadioButton, geneticRadio) msgid "Genetic algorithm search" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:68 #. i18n: ectx: property (text), widget (QLabel, optimizationStepsLabel) msgid "Optimization per conformer:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:94 #. i18n: ectx: property (title), widget (QGroupBox, geneticGroupBox) msgid "Genetic Algorithm Options" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:102 #. i18n: ectx: property (toolTip), widget (QLabel, label_2) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:112 #. i18n: ectx: property (toolTip), widget (QSpinBox, childrenSpinBox) msgid "number of children for each parent geometry" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:105 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Children:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:128 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:138 #. i18n: ectx: property (toolTip), widget (QSpinBox, mutabilitySpinBox) msgid "mutation frequency (lower = more frequent mutations)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:131 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Mutability:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:154 #. i18n: ectx: property (toolTip), widget (QLabel, label_4) #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:164 #. i18n: ectx: property (toolTip), widget (QSpinBox, convergenceSpinBox) msgid "number of identical generations before convergence is reached" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:157 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Convergence:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:180 #. i18n: ectx: property (text), widget (QLabel, label_5) msgid "Scoring method:" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:187 #. i18n: ectx: property (toolTip), widget (QComboBox, scoringComboBox) msgid "" "scoring method for the genetic algorithm (RMSD = geometric distance, energy " "= lowest energies)" msgstr "" #. i18n: file: qtplugins/openbabel/conformersearchdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, scoringComboBox) msgid "RMSD" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:52 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Optimization algorithm:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:59 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Line search technique:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Steepest Descent" msgstr "Steepest Descent (最陡下降)" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, algorithm) msgid "Conjugate Gradient" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Simple" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, lineSearch) msgid "Newton's Method" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:114 #. i18n: ectx: property (title), widget (QGroupBox, enableCutoffs) msgid "Limit Non-Bonded Interactions" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:126 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "Van der Waals cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:133 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Pair update frequency:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:140 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "electrostatic cutoff distance:" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:147 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, vdwCutoff) #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:166 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, eleCutoff) msgid "Å" msgstr "" #. i18n: file: qtplugins/openbabel/obforcefielddialog.ui:213 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "\"Energy\" convergence:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, OpenMMInputDialog) msgid "OpenMM Script Builder" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label_jobScript) msgid "Job script:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:47 #. i18n: ectx: property (placeholderText), widget (QLineEdit, jobScriptEdit) msgid "script" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:54 #. i18n: ectx: property (text), widget (QLabel, label_1) msgid "Input Coords:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:64 #. i18n: ectx: property (placeholderText), widget (QLineEdit, inputCoordEdit) msgid "input.pdb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:71 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Input Topology:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:91 #. i18n: ectx: property (text), widget (QLabel, label_forceField) #, fuzzy msgid "Forcefield:" msgstr "力場" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:99 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER96" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:104 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-ildn" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER99sb-nmr" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER03" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, forceFieldCombo) msgid "AMBER10" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:132 #. i18n: ectx: property (text), widget (QLabel, label_waterModel) msgid "Water Model:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:145 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP3P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:150 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP4P-Ew" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:155 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "TIP5P" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:160 #. i18n: ectx: property (text), item, widget (QComboBox, waterModelCombo) msgid "Implicit Solvent (OBC)" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:168 #. i18n: ectx: property (text), widget (QLabel, label_platform) msgid "Platform:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:176 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) #, fuzzy msgid "Reference" msgstr "參考" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:181 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "OpenCL" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:186 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CPU" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:191 #. i18n: ectx: property (text), item, widget (QComboBox, platformCombo) msgid "CUDA" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:199 #. i18n: ectx: property (text), widget (QLabel, label_precision) msgid "Precision:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "single" msgstr "單鍵" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) msgid "mixed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, precisionCombo) #, fuzzy msgid "double" msgstr "雙鍵" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:225 #. i18n: ectx: property (text), widget (QLabel, label_deviceIndex) msgid "Device Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:245 #. i18n: ectx: property (text), widget (QLabel, label_openCLIndex) msgid "OpenCL Platform Index:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:275 #. i18n: ectx: property (text), widget (QLabel, label_nonbondedMethod) msgid "Nonbonded method:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:283 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "NoCutoff" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:288 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffNonPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:293 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "CutoffPeriodic" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:298 #. i18n: ectx: property (text), item, widget (QComboBox, nonBondedMethodCombo) msgid "Ewald" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:311 #. i18n: ectx: property (text), widget (QLabel, label_ewaldTolerance) msgid "Ewald Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:337 #. i18n: ectx: property (text), widget (QLabel, label_constraints) #, fuzzy msgid "Constraints:" msgstr "約束" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:350 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:355 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "AllBonds" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:360 #. i18n: ectx: property (text), item, widget (QComboBox, constraintsCombo) msgid "HAngles" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:368 #. i18n: ectx: property (text), widget (QLabel, label_constraintTolerance) msgid "Constraint Tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:394 #. i18n: ectx: property (text), widget (QLabel, label_rigidWater) msgid "Rigid water?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, rigidWaterCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:457 #. i18n: ectx: property (text), item, widget (QComboBox, initVelCombo) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:813 #. i18n: ectx: property (text), item, widget (QComboBox, minimizeCombo) msgid "False" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:415 #. i18n: ectx: property (text), widget (QLabel, label_nonBondedCutoff) msgid "Nonbonded cutoff:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:437 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, nonBondedCutoffSpin) msgid " nm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:444 #. i18n: ectx: property (text), widget (QLabel, label_randomInitVel) msgid "Random initial velocity:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:465 #. i18n: ectx: property (text), widget (QLabel, label_generationTemp) msgid "Generation Temp:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:481 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, generationTemperatureSpin) #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:625 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, temperatureSpin) msgid " K" msgstr " K" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:498 #. i18n: ectx: property (text), widget (QLabel, label_integrator) msgid "Integrator:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Langevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Verlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:516 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "Brownian" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:521 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableLangevin" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:526 #. i18n: ectx: property (text), item, widget (QComboBox, integratorCombo) msgid "VariableVerlet" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:537 #. i18n: ectx: property (text), widget (QLabel, label_timestep) msgid "Timestep:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:553 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, stepSpin) msgid " fs" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:560 #. i18n: ectx: property (text), widget (QLabel, label_errorTol) msgid "Error tolerance:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:586 #. i18n: ectx: property (text), widget (QLabel, label_collisionRate) msgid "Collision rate:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:602 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, collisionRateSpin) msgid "/ps" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:609 #. i18n: ectx: property (text), widget (QLabel, label_temperature) msgid "Temperature:" msgstr "溫度：" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:632 #. i18n: ectx: property (text), widget (QLabel, label_barostat) msgid "Barostat:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:645 #. i18n: ectx: property (text), item, widget (QComboBox, barostatCombo) msgid "Monte Carlo" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:653 #. i18n: ectx: property (text), widget (QLabel, label_pressure) msgid "Pressure:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:669 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, pressureSpin) msgid " atm" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:676 #. i18n: ectx: property (text), widget (QLabel, label_barostatInterval) msgid "Barostat Interval" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:703 #. i18n: ectx: property (text), widget (QLabel, label_reporters) msgid "Reporters:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:710 #. i18n: ectx: property (text), widget (QCheckBox, stateDataCheck) msgid "StateData" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:720 #. i18n: ectx: property (text), widget (QCheckBox, dcdCheck) msgid "DCD" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:730 #. i18n: ectx: property (text), widget (QCheckBox, pdbCheck) msgid "PDB" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:740 #. i18n: ectx: property (text), widget (QLabel, label_reportInterval) msgid "Report Interval:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:760 #. i18n: ectx: property (text), widget (QLabel, label_equilibriationSteps) msgid "Equilibration Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:780 #. i18n: ectx: property (text), widget (QLabel, label_productionSteps) msgid "Production Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:800 #. i18n: ectx: property (text), widget (QLabel, label_minimize) msgid "Minimize?" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:821 #. i18n: ectx: property (text), widget (QLabel, label_minimizeSteps) msgid "Max. Minimize Steps:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:841 #. i18n: ectx: property (text), widget (QLabel, label_stateDataOptions) msgid "StateData options:" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:848 #. i18n: ectx: property (text), widget (QCheckBox, stepIndexCheck) msgid "Step Index" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:858 #. i18n: ectx: property (text), widget (QCheckBox, timeCheck) msgid "Time" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:868 #. i18n: ectx: property (text), widget (QCheckBox, speedCheck) msgid "Speed" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:878 #. i18n: ectx: property (text), widget (QCheckBox, progressCheck) msgid "Progress" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:888 #. i18n: ectx: property (text), widget (QCheckBox, potentialEnergyCheck) msgid "Potential Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:898 #. i18n: ectx: property (text), widget (QCheckBox, kineticEnergyCheck) msgid "Kinetic Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:908 #. i18n: ectx: property (text), widget (QCheckBox, totalEnergyCheck) msgid "Total Energy" msgstr "" #. i18n: file: qtplugins/openmminput/openmminputdialog.ui:928 #. i18n: ectx: property (text), widget (QCheckBox, volumeCheck) msgid "Volume" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::PdfOptionsDialog) msgid "PDF Plot Options" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:20 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Maximum Radius:" msgstr "" #. i18n: file: qtplugins/plotpdf/pdfoptionsdialog.ui:49 #. i18n: ectx: property (text), widget (QLabel, label2) msgid "Step (dr):" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "Theoretical XRD Pattern Options" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:17 #. i18n: ectx: property (toolTip), widget (QDialog, Avogadro::QtPlugins::XrdOptionsDialog) msgid "" "

      The broadening of the peak at the base (in degrees)." msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:23 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_max2Theta) msgid "" "

      The max 2theta value in degrees.

      Default: " "162.00°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:45 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_peakWidth) msgid "" "

      The broadening of the peaks at the base in degrees.

      Default: 0.52958°

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:67 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of points:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:77 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Peak width:" msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:87 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Wavelength:" msgstr "波長" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:97 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_wavelength) msgid "" "

      The wavelength of the x-ray in Angstroms.

      Default: 1.50560 Å

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:122 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDataPoints) msgid "" "

      The number of 2theta points to generate.

      Default: 1000

      " msgstr "" #. i18n: file: qtplugins/plotxrd/xrdoptionsdialog.ui:141 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Max 2*theta:" msgstr "" #. i18n: file: qtplugins/plugindownloader/downloaderwidget.ui:20 #. i18n: ectx: property (text), widget (QPushButton, downloadButton) msgid "Download Selected" msgstr "" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:19 #. i18n: ectx: property (text), widget (QLabel, atomRadiusLabel) msgid "Critical Point Radius:" msgstr "臨界點半徑:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, bondRadiusLabel) msgid "Bond Path Radius:" msgstr "鍵路徑之半徑:" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:130 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Covalent" msgstr "共價" #. i18n: file: qtplugins/qtaim/qtaimsettingswidget.ui:135 #. i18n: ectx: property (text), item, widget (QComboBox, combo_radius) msgid "Constant Size" msgstr "固定大小" #. i18n: file: qtplugins/selectiontool/selectiontoolwidget.ui:21 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Apply Color" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:20 #. i18n: ectx: property (windowTitle), widget (QDialog, SpectraDialog) msgid "Spectra Visualization" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:58 #. i18n: ectx: property (text), widget (QLabel, label_11) msgid "Scale Factor:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:75 #. i18n: ectx: property (text), widget (QLabel, label_7) msgid "X-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:82 #. i18n: ectx: property (text), widget (QLabel, label_9) msgid "X-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:99 #. i18n: ectx: property (text), widget (QLabel, label_12) msgid "Offset:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:106 #. i18n: ectx: property (text), widget (QLabel, label_10) msgid "Y-Axis Maximum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:123 #. i18n: ectx: property (text), widget (QLabel, label_8) msgid "Y-Axis Minimum:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:156 #. i18n: ectx: property (text), widget (QLabel, label_13) #, fuzzy #| msgid "Width:" msgid "Peak Width:" msgstr "寬度：" #. i18n: file: qtplugins/spectra/spectradialog.ui:183 #. i18n: ectx: property (text), widget (QLabel, label_27) #, fuzzy #| msgid "Threshold:" msgid "Peak Threshold:" msgstr "臨界值：" #. i18n: file: qtplugins/spectra/spectradialog.ui:190 #. i18n: ectx: property (text), widget (QLabel, unitsLabel) msgid "Units:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:205 #. i18n: ectx: attribute (title), widget (QWidget, tab_appearance) msgid "&Appearance" msgstr "外觀" #. i18n: file: qtplugins/spectra/spectradialog.ui:214 #. i18n: ectx: property (text), widget (QCheckBox, cb_import) #. i18n: file: qtplugins/spectra/spectradialog.ui:285 #. i18n: ectx: property (text), widget (QCheckBox, cb_calculate) msgid "Show" msgstr "顯示" #. i18n: file: qtplugins/spectra/spectradialog.ui:230 #. i18n: ectx: property (toolTip), widget (QPushButton, push_import) msgid "Imports a tsv of experimental spectra to overlay on the plot." msgstr "匯入實驗性光譜的 tsv 以覆蓋圖形" #. i18n: file: qtplugins/spectra/spectradialog.ui:233 #. i18n: ectx: property (text), widget (QPushButton, push_import) msgid "&Import..." msgstr "匯入" #. i18n: file: qtplugins/spectra/spectradialog.ui:249 #. i18n: ectx: property (text), widget (QPushButton, push_colorImported) #. i18n: file: qtplugins/spectra/spectradialog.ui:301 #. i18n: ectx: property (text), widget (QPushButton, push_colorForeground) #. i18n: file: qtplugins/spectra/spectradialog.ui:330 #. i18n: ectx: property (text), widget (QPushButton, push_colorCalculated) #. i18n: file: qtplugins/spectra/spectradialog.ui:369 #. i18n: ectx: property (text), widget (QPushButton, push_colorBackground) msgid "Set Color..." msgstr "設定顏色..." #. i18n: file: qtplugins/spectra/spectradialog.ui:269 #. i18n: ectx: property (text), widget (QLabel, label_4) msgid "Imported Spectra:" msgstr "匯入的光譜:" #. i18n: file: qtplugins/spectra/spectradialog.ui:317 #. i18n: ectx: property (text), widget (QPushButton, push_export) msgid "&Export..." msgstr "匯出:" #. i18n: file: qtplugins/spectra/spectradialog.ui:343 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Background:" msgstr "背景:" #. i18n: file: qtplugins/spectra/spectradialog.ui:356 #. i18n: ectx: property (text), widget (QLabel, label_3) #, fuzzy #| msgid "Export Calculated Spectrum" msgid "Calculated Spectra:" msgstr "計算出來的光譜" #. i18n: file: qtplugins/spectra/spectradialog.ui:376 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Font Size:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:387 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) #, fuzzy #| msgid "10e-" msgid "10" msgstr "10" #. i18n: file: qtplugins/spectra/spectradialog.ui:392 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "12" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:397 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "14" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:402 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "16" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:407 #. i18n: ectx: property (text), item, widget (QComboBox, fontSizeCombo) msgid "18" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:418 #. i18n: ectx: property (text), widget (QLabel, label_5) msgctxt "Size in pixels of the line drawing the spectra" msgid "Line Width:" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:458 #. i18n: ectx: property (text), widget (QPushButton, push_exportData) msgid "Export Data" msgstr "匯出資料" #. i18n: file: qtplugins/spectra/spectradialog.ui:471 #. i18n: ectx: property (text), widget (QPushButton, pushButton) msgid "&Close" msgstr "關閉" #. i18n: file: qtplugins/spectra/spectradialog.ui:484 #. i18n: ectx: property (text), widget (QPushButton, push_options) msgid "&Options…" msgstr "" #. i18n: file: qtplugins/spectra/spectradialog.ui:534 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "x" msgstr "x" #. i18n: file: qtplugins/spectra/spectradialog.ui:539 #. i18n: ectx: property (text), widget (QTableWidget, dataTable) msgid "y" msgstr "y" #. i18n: file: qtplugins/spectra/spectradialog.ui:572 #. i18n: ectx: property (toolTip), widget (Avogadro::VTK::ChartWidget, plot) msgid "" "Controls:\n" "Double left click: Restore default axis limits\n" "Right click + drag: Move plot\n" "Middle click + drag: Zoom to region\n" "Scroll wheel: Zoom to cursor" msgstr "" "控制:\n" "滑鼠左鍵雙擊: 回覆預設的軸限制\n" "右鍵 + 拖曳: 移動圖形\n" "中鍵 + 拖曳: 縮放到區域\n" "滾輪: 縮放到游標" #. i18n: file: qtplugins/spectra/spectradialog.ui:588 #. i18n: ectx: property (text), widget (QPushButton, push_loadSpectra) msgid "&Load data..." msgstr "載入資料" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:65 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Quality: " msgstr "品質: " #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:76 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:224 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very Low" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:81 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:229 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Low" msgstr "低" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:86 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:234 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:380 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Medium" msgstr "中等" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:91 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:239 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "High" msgstr "高" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:96 #. i18n: ectx: property (text), item, widget (QComboBox, combo_quality) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:244 #. i18n: ectx: property (text), item, widget (QComboBox, resolutionCombo) msgid "Very High" msgstr "很高" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:104 #. i18n: ectx: property (text), widget (QPushButton, push_render) msgid "Render" msgstr "" #. i18n: file: qtplugins/surfaces/orbitalwidget.ui:128 #. i18n: ectx: property (text), widget (QPushButton, push_configure) msgid "Configure" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:23 #. i18n: ectx: property (windowTitle), widget (QDialog, SurfaceDialog) msgid "Create Surfaces" msgstr "產生外觀" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:37 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Surface:" msgstr "表面/曲面" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:67 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "alpha" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:72 #. i18n: ectx: property (text), item, widget (QComboBox, spinCombo) msgid "beta" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:95 #. i18n: ectx: property (text), widget (QLabel, label_4) #, fuzzy msgid "Color by:" msgstr "上色是依照:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:113 #. i18n: ectx: property (text), item, widget (QComboBox, propertyCombo) #, fuzzy #| msgctxt "Electrostatic potential surface type" #| msgid "Electrostatic Potential" msgid "Electrostatic Potential" msgstr "靜電位能" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:202 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Resolution:" msgstr "解析度:" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:299 #. i18n: ectx: property (text), widget (QLabel, label_2) #, fuzzy msgid "Isosurface Value:" msgstr "等曲面值" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:311 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, isosurfaceDoubleSpinBox) #, fuzzy #| msgid " K" msgid " " msgstr " " #. i18n: file: qtplugins/surfaces/surfacedialog.ui:348 #. i18n: ectx: property (text), widget (QLabel, label_6) msgid "Smoothing:" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:363 #. i18n: ectx: property (currentText), widget (QComboBox, smoothingCombo) #. i18n: file: qtplugins/surfaces/surfacedialog.ui:375 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Light" msgstr "亮" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:385 #. i18n: ectx: property (text), item, widget (QComboBox, smoothingCombo) msgid "Strong" msgstr "" #. i18n: file: qtplugins/surfaces/surfacedialog.ui:515 #. i18n: ectx: property (text), widget (QPushButton, calculateButton) msgid "Calculate" msgstr "計算" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:28 #. i18n: ectx: property (text), widget (QLabel, pointGroupLabel) msgid "C1" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, esTab) msgid "Molecule" msgstr "分子" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:48 #. i18n: ectx: property (text), widget (QLabel, esLabel) msgid "Symmetrically equivalent atoms:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:79 #. i18n: ectx: property (text), widget (QCheckBox, lockSymmetryCheckBox) msgid "Lock Symmetry" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:109 #. i18n: ectx: attribute (title), widget (QWidget, operationsTab) msgid "Operations" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:115 #. i18n: ectx: property (text), widget (QLabel, operationsLabel) msgid "Symmetry elements:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:145 #. i18n: ectx: attribute (title), widget (QWidget, subgroupsTab) msgid "Subgroups" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:151 #. i18n: ectx: property (text), widget (QLabel, subgroupsLabel) msgid "Subgroups:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:214 #. i18n: ectx: property (text), widget (QLabel, toleranceLabel) msgid "Tolerance:" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:225 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Tight" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:230 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Normal" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:235 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:240 #. i18n: ectx: property (text), item, widget (QComboBox, toleranceCombo) msgid "Very Loose" msgstr "" #. i18n: file: qtplugins/symmetry/symmetrywidget.ui:248 #. i18n: ectx: property (text), widget (QPushButton, detectSymmetryButton) msgid "Detect Symmetry" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:42 #. i18n: ectx: attribute (title), widget (QWidget, centersTab) msgid "Centers" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:99 #. i18n: ectx: property (text), widget (QLabel, formalChargeLabel) #, fuzzy #| msgid "Partial Charge" msgid "Formal Charge:" msgstr "形式電荷" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:109 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "0" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:114 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+1" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:119 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+2" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:124 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+3" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:129 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+4" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:134 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+5" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:139 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+6" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:144 #. i18n: ectx: property (text), item, widget (QComboBox, chargeComboBox) msgid "+7" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:167 #. i18n: ectx: property (text), widget (QLabel, coordinationLabel) msgid "Coordination:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:182 #. i18n: ectx: property (currentText), widget (QComboBox, coordinationComboBox) #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:227 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Octahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:192 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "1: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:197 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "2: Linear" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:202 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "3: Trigonal Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:207 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Tetrahedral" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:212 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "4: Square Planar" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:217 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Trigonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:222 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "5: Square Pyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:232 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "6: Trigonal Prism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:237 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "7: Pentagonal Bipyramidal" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:242 #. i18n: ectx: property (text), item, widget (QComboBox, coordinationComboBox) msgid "8: Square Antiprism" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:315 #. i18n: ectx: attribute (title), widget (QWidget, ligandTab) msgid "Ligands" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:321 #. i18n: ectx: property (text), widget (QLabel, typeLabel) #, fuzzy #| msgid "Type" msgid "Type:" msgstr "種類：" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:331 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Monodentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:336 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Bidentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:341 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tridentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:346 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Tetradentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:351 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Hexadentate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:356 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "Haptic" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:361 #. i18n: ectx: property (text), item, widget (QComboBox, typeComboBox) msgid "From Clipboard" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:384 #. i18n: ectx: property (text), widget (QLabel, ligandLabel) msgid "Ligand:" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:455 #. i18n: ectx: attribute (title), widget (QWidget, tab) #, fuzzy msgid "Groups" msgstr "群組" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:461 #. i18n: ectx: property (text), widget (QLabel, label) #, fuzzy msgid "Group:" msgstr "群組" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:471 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "amide" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:476 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "carboxylate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:481 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ester" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:486 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethylene" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:491 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "ethyne" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:496 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "nitro" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:501 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phenyl" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:506 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "phosphate" msgstr "" #. i18n: file: qtplugins/templatetool/templatetoolwidget.ui:511 #. i18n: ectx: property (text), item, widget (QComboBox, groupComboBox) msgid "sulfonate" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, VibrationDialog) msgid "Vibrational Modes" msgstr "" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:56 #. i18n: ectx: property (text), widget (QLabel, label) msgid "Amplitude:" msgstr "振幅：" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:96 #. i18n: ectx: property (text), widget (QPushButton, startButton) #, fuzzy msgid "Start Animation" msgstr "啟動動畫" #. i18n: file: qtplugins/vibrations/vibrationdialog.ui:103 #. i18n: ectx: property (text), widget (QPushButton, stopButton) #, fuzzy msgid "Stop Animation" msgstr "停止動畫" #. i18n: file: qtplugins/yaehmop/banddialog.ui:14 #. i18n: ectx: property (windowTitle), widget (QDialog, Avogadro::QtPlugins::BandDialog) msgid "Yaehmop Band" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:33 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_minY) msgid "Min y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:36 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_minY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:101 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_maxY) #. i18n: file: qtplugins/yaehmop/banddialog.ui:123 #. i18n: ectx: property (suffix), widget (QDoubleSpinBox, spin_fermi) msgid " eV" msgstr " eV" #. i18n: file: qtplugins/yaehmop/banddialog.ui:52 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_plotFermi) msgid "" "

      The Fermi level should be known before checking this " "box. You can discover the Fermi level by performing a density of states " "calculation and displaying the data (it will be at the top of the data). In " "addition, if a density of states calculation is performed, the Fermi level " "here will automatically be set to what was detected during the density of " "states calculation.

      If this box is checked, be sure the correct Fermi " "level is set in the spinbox on the right.

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:58 #. i18n: ectx: property (text), widget (QCheckBox, cb_plotFermi) msgid "Plot Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:68 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_zeroFermi) msgid "" "

      Adjust the energies so that the zero is the Fermi? " "Only available if we are plotting the Fermi level.


      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:74 #. i18n: ectx: property (text), widget (QCheckBox, cb_zeroFermi) msgid "Zero Fermi?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:81 #. i18n: ectx: property (text), widget (QLabel, label) msgid "# of k-points connecting special k-points:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:88 #. i18n: ectx: property (text), widget (QLabel, label_2) msgid "Special k-points" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:98 #. i18n: ectx: property (prefix), widget (QDoubleSpinBox, spin_maxY) msgid "Max y: " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:120 #. i18n: ectx: property (toolTip), widget (QDoubleSpinBox, spin_fermi) msgid "

      The Fermi Level

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:142 #. i18n: ectx: property (toolTip), widget (QTextEdit, edit_specialKPoints) msgid "" "

      Enter special k-points as such:

      L 0.5 0.5 0.5

      G 0.0 0.0 0.0

      X 0.5 0.0 0.5

      That is, <symbol> <" "x> <y> <z> where x, y, and z are fractional reciprocal space " "coordinates. Lines will be drawn connecting these k-points on the graph in " "the order you put them in. Please note that the orientation of your cell may " "have an effect on the locations of these reciprocal space points.

      If " "the space group of the crystal has been perceived or set, the special k " "points will be automatically filled up with the primitive cell high symmetry " "points for that space group. There are a few space groups will different " "high symmetry points depending on the lattice (such as if a > b or a < " "b) - that is taken into account automatically.

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:149 #. i18n: ectx: property (html), widget (QTextEdit, edit_specialKPoints) msgid "" "\n" "\n" "

      GM 0.0 0.0 0.0

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:156 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numKPoints) msgid "" "

      Enter the number of k-points that will be connecting " "the special k-points. More of these k-points will smooth out the graph, but " "the calculation may take longer.

      Default: 40

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:178 #. i18n: ectx: property (toolTip), widget (QCheckBox, cb_limitY) msgid "" "

      Limit the y-range in the plot?

      Default: off

      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:181 #. i18n: ectx: property (text), widget (QCheckBox, cb_limitY) msgid "Limit y-range?" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:188 #. i18n: ectx: property (toolTip), widget (QLabel, label_3) #. i18n: file: qtplugins/yaehmop/banddialog.ui:204 #. i18n: ectx: property (toolTip), widget (QSpinBox, spin_numDim) msgid "" "

      The number of periodic dimensions.


      If this is set to 1, the material will be periodic only along the A " "vector of the crystal.


      If this is set to 2, the material " "will be periodic along both the A and B vectors of the crystal.


      If this is set to 3, the material will be periodic along the A, B, and " "C vectors of the crystal.


      " msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:194 #. i18n: ectx: property (text), widget (QLabel, label_3) msgid "Number of Dimensions:" msgstr "" #. i18n: file: qtplugins/yaehmop/banddialog.ui:220 #. i18n: ectx: property (text), widget (QCheckBox, cb_displayYaehmopInput) msgid "Display Yaehmop Input?" msgstr "" msgctxt "NAME OF TRANSLATORS" msgid "Your names" msgstr "" ",Launchpad Contributions:,iychiang, ,Launchpad Contributions:,iychiang, ," "Launchpad Contributions:,iychiang, ,Launchpad Contributions:,iychiang, ," "Launchpad Contributions:,iychiang, ,Launchpad Contributions:,iychiang, ," "Launchpad Contributions:,iychiang, ,Launchpad Contributions:,iychiang, ," "Launchpad Contributions:,iychiang, ,Launchpad Contributions:,iychiang, ," "Launchpad Contributions:,iychiang, ,Launchpad Contributions:,iychiang, ," "Launchpad Contributions:,iychiang, ,Launchpad Contributions:,iychiang" msgctxt "EMAIL OF TRANSLATORS" msgid "Your emails" msgstr "" ",,iychiang1809@gmail.com,,,iychiang1809@gmail.com,,,iychiang1809@gmail.com,,," "iychiang1809@gmail.com,,,iychiang1809@gmail.com,,,iychiang1809@gmail.com,,," "iychiang1809@gmail.com,,,iychiang1809@gmail.com,,,iychiang1809@gmail.com,,," "iychiang1809@gmail.com,,,iychiang1809@gmail.com,,,iychiang1809@gmail.com,,," "iychiang1809@gmail.com,,,iychiang1809@gmail.com" #, fuzzy #~ msgid "eV" #~ msgstr "eV" #, fuzzy #~ msgid "eV)" #~ msgstr "eV)" #~ msgid "Partial Charge" #~ msgstr "部份電荷" #, fuzzy #~| msgid "Animation" #~ msgid "Animation Tool" #~ msgstr "動畫" #, fuzzy #~ msgctxt "ambient occlusion" #~ msgid "Van der Waals (AO)" #~ msgstr "凡得瓦" #, fuzzy #~ msgid "Geometry" #~ msgstr "幾何結構" #, fuzzy #~ msgid "Add Unit Cell" #~ msgstr "加入單位晶格 (&U)" #, fuzzy #~ msgid "By Atomic Index" #~ msgstr "原子指數" #, fuzzy #~ msgid "By Distance" #~ msgstr "距離" #, fuzzy #~ msgid "Select Water…" #~ msgstr "原子指數" #, fuzzy #~ msgid "&Copy" #~ msgstr "全部複製" #, fuzzy #~| msgid "IUPAC Molecule Name:" #~ msgid "Molecule Name:" #~ msgstr "IUPAC 分子名稱:" #, fuzzy #~ msgid "Molecular Mass (g/mol):" #~ msgstr "分子量 (g/mol):" #~ msgid "Chemical Formula:" #~ msgstr "化學式:" #~ msgid "Number of Atoms:" #~ msgstr "原子的數目:" #~ msgid "Number of Bonds:" #~ msgstr "鍵的數目:" #~ msgid "TODO" #~ msgstr "TODO" #, fuzzy #~| msgid "Jump Size:" #~ msgid "Line Size:" #~ msgstr "Jump Size:" #, fuzzy #~| msgid "Optimization" #~ msgid "Optimize" #~ msgstr "最適化" #, fuzzy #~ msgid "In." #~ msgstr "In:" #, fuzzy #~| msgid "Fragment..." #~ msgid "Fragment…" #~ msgstr "片斷..." #, fuzzy #~| msgid "DFT Functional:" #~ msgid "Functional Groups" #~ msgstr "DFT Functional:" #~ msgid "Other..." #~ msgstr "其他..." #, fuzzy #~ msgid "Filename" #~ msgstr "檔名:" #, fuzzy #~ msgid "YAeHMOP Band Structure" #~ msgstr "結構" #, fuzzy #~ msgid "Navigate Back" #~ msgstr "導覽" #, fuzzy #~ msgid "Navigate Forward" #~ msgstr "導覽" #~ msgid "OK" #~ msgstr "確定" #~ msgid "Cancel" #~ msgstr "取消" #, fuzzy #~ msgid "Element & Ordinal" #~ msgstr "元素名稱" #, fuzzy #~ msgid "All files (*);;" #~ msgstr "所有檔案" #, fuzzy #~| msgctxt "Lattice type" #~| msgid "Rhombohedral" #~ msgid "octahedral" #~ msgstr "菱形晶系" #, fuzzy #~| msgid "Molecule" #~ msgid "Insert Molecule..." #~ msgstr "分子" #, fuzzy #~ msgid "Generating 3D molecule..." #~ msgstr "沒有設定分子" #, fuzzy #~ msgid "&GAMESS..." #~ msgstr "&GAMESS-UK..." #, fuzzy #~ msgid "Crystal..." #~ msgstr "貼上結晶" #~ msgid "SMILES..." #~ msgstr "SMILES 文字化學式..." #, fuzzy #~ msgid "Add Hydrogens for pH..." #~ msgstr "配合 pH 加上氫" #~ msgid "Atom Properties..." #~ msgstr "原子的特性" #~ msgid "Bond Properties..." #~ msgstr "鍵的特性" #~ msgid "Angle Properties..." #~ msgstr "鍵角性質..." #~ msgid "Torsion Properties..." #~ msgstr "扭轉的特性..." #, fuzzy #~ msgid "Residue Properties..." #~ msgstr "分子性質..." #~ msgid "Create Surfaces..." #~ msgstr "產生外觀..." #~ msgid "Insert Fragment..." #~ msgstr "插入片段..." #~ msgid "Theory:" #~ msgstr "理論:" #, fuzzy #~ msgid "Distance: %L1 Å" #~ msgstr "距離 (1->2): %L1 %2" #~ msgid "Rotatable" #~ msgstr "可旋轉" #, fuzzy #~ msgctxt "in Angstrom" #~ msgid "" #~ "Conformer %1\n" #~ "Length %2" #~ msgstr "構形異構物 %1" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Angle %2" #~ msgstr "構形異構物 %1" #~ msgctxt "Degree symbol" #~ msgid "Angle %1" #~ msgstr "角度 %1" #, fuzzy #~ msgid "Angle" #~ msgstr "角度：" #, fuzzy #~ msgctxt "Degree symbol" #~ msgid "" #~ "Conformer %1\n" #~ "Torsion %2" #~ msgstr "構形異構物 %1" #~ msgctxt "Degree symbol" #~ msgid "Torsion %1" #~ msgstr "扭力 %1" #~ msgid "Torsion" #~ msgstr "扭轉" #, fuzzy #~ msgid "Energy (kJ/mol)" #~ msgstr "能量 (kJ/mol):" #~ msgid "Yes" #~ msgstr "Yes" #~ msgid "No" #~ msgstr "No" #, fuzzy #~ msgid "Input Generators" #~ msgstr "匯入產生器..." #, fuzzy #~ msgid "Import" #~ msgstr "匯入" #~ msgid "Insert SMILES" #~ msgstr "插入 SMILES 文字化學式" #~ msgid "Insert SMILES fragment:" #~ msgstr "插入 SMILES 文字化學式片斷" #, fuzzy #~ msgid "Insert Crystal" #~ msgstr "貼上結晶" #~ msgid "Insert molecular fragments for building larger molecules" #~ msgstr "插入片斷以建立更大的分子" #~ msgid "E&xtensions" #~ msgstr "延伸功能" #, fuzzy #~ msgid "Optimize geometry" #~ msgstr "最佳化幾何結構" #, fuzzy #~ msgid "Configure geometry optimization..." #~ msgstr "幾何構形最適化" #, fuzzy #~ msgid "Add hydrogens" #~ msgstr "加上氫" #, fuzzy #~ msgid "Stopped" #~ msgstr "停止" #, fuzzy #~ msgid "Surface Dialog" #~ msgstr "表面/曲面" #~ msgid "Color by Index" #~ msgstr "依照 index 上顏色" #~ msgid "Color by Index (red, orange, yellow, green, blue, violet)." #~ msgstr "依照 index 上顏色 (紅, 橘, 黃, 綠, 藍, 紫)" #~ msgid "Color by Partial Charge" #~ msgstr "依照部分電荷上顏色" #~ msgid "Color by atomic partial charge (blue = positive, red = negative." #~ msgstr "以不同顏色顯示原子的電荷分佈 (藍色表示正電, 紅色表示負電)" #~ msgid "Custom Color:" #~ msgstr "自訂顏色：" #~ msgid "Set custom colors for objects" #~ msgstr "為物件設定顏色" #~ msgid "Color by Distance" #~ msgstr "以不同顏色表示距離" #~ msgid "Color by distance from the first atom." #~ msgstr "以不同顏色表示與第一個原子的距離" #~ msgid "Color by Element (carbon = grey, oxygen = red, ...)." #~ msgstr "依元素標示顏色 (碳=灰色, 氧=紅色, ...)" #~ msgid "Color by Residue (amino acid type, hydrophobicity, ..." #~ msgstr "依照殘基上顏色 (胺基酸種類, 疏水性等)" #~ msgid "SMARTS Pattern:" #~ msgstr "SMARTS 樣式:" #~ msgid "Highlight Color:" #~ msgstr "重要標示之顏色：" #~ msgid "Color by SMARTS Pattern" #~ msgstr "依照 SMARTS 樣式呈色" #~ msgid "Highlight particular features which match a SMARTS pattern." #~ msgstr "標示出符合 SMARTS 樣式之特色" #~ msgid "Ununtrium" #~ msgstr "Ununtrium" #~ msgid "Ununpentium" #~ msgstr "Ununpentium" #~ msgid "Ununseptium" #~ msgstr "Ununseptium" #~ msgid "Ununoctium" #~ msgstr "Ununoctium" #~ msgid "Engines" #~ msgstr "引擎" #~ msgid "Axes" #~ msgstr "軸" #~ msgid "Renders primitives using Balls (atoms) and Sticks (bonds)" #~ msgstr "使用球 (原子) 及棒 (鍵) 呈現 primitives" #~ msgid "Hydrogen Bond" #~ msgstr "氫鍵" #~ msgid "Renders hydrogen bonds" #~ msgstr "繪出氫的結合鍵" #~ msgid "Select Atom Labels Color" #~ msgstr "選擇原子標示之顏色" #~ msgid "Select Bond Labels Color" #~ msgstr "選擇鍵標示之顏色" #~ msgid "Select Bond Labels Font" #~ msgstr "選擇鍵標示之字型" #~ msgid "Polygon" #~ msgstr "多邊形" #~ msgid "Renders atoms as tetrahedra, octahedra, and other polygons" #~ msgstr "以四面體八面體或其他呈現原子團的形狀" #~ msgid "Renders protein backbones as ribbons" #~ msgstr "以彩帶呈現蛋白質的骨架" #~ msgid "Ring" #~ msgstr "環" #~ msgid "Renders rings with colored planes" #~ msgstr "以彩色平面呈現環狀結構" #~ msgid "Simple Wireframe" #~ msgstr "簡單的框線" #~ msgid "Renders bonds as wires (lines), ideal for large molecules" #~ msgstr "以細線呈現化學鍵, 可用來表達大分子" #~ msgid "Van der Waals Spheres" #~ msgstr "凡得瓦球形" #~ msgid "Stick" #~ msgstr "棒狀" #~ msgctxt "Electron density isosurface with a cutoff of %1" #~ msgid "Electron density, isosurface = %L1" #~ msgstr "電子密度, 等值面 = %L1" #~ msgctxt "%1 is mesh name, %2 is the isosurface cutoff" #~ msgid "%1, isosurface = %L2" #~ msgstr "%1, 等值面 = %L2" #~ msgid "Renders bonds as wires (lines), ideal for very large (bio)molecules" #~ msgstr "以細線呈現化學鍵, 可用來表達大分子或生物大分子" #~ msgid "Trajectory files" #~ msgstr "軌跡檔" #~ msgid "DL-POLY HISTORY files" #~ msgstr "DL-POLY HISTORY 檔" #~ msgid "Open Trajectory File" #~ msgstr "開啟軌跡檔" #~ msgid "%1/%2" #~ msgstr "%1/%2" #~ msgid "Adding .avi extension" #~ msgstr "加上附檔名 .avi" #~ msgid "Animation..." #~ msgstr "動畫" #~ msgid "Cannot read file format of file %1." #~ msgstr "無法讀取檔案 %1 的格式。" #~ msgid "Read trajectory file %1 failed." #~ msgstr "無法讀取軌跡檔 %1" #~ msgid "Must specify a valid .avi file name" #~ msgstr "必須要給定有效的 .avi 檔名" #~ msgid "GL widget was not correctly initialized in order to save video" #~ msgstr "無法正確啟動 GL widget 所以無法儲存影片" #~ msgid "Invalid video filename. Must include full directory path" #~ msgstr "無效的影片檔名. 必須包含完整的路徑" #~ msgid "" #~ "Invalid video filename. Must include full directory path and name, " #~ "ending with .avi" #~ msgstr "無效的影片檔名. 必須包含完整的子目錄名稱與檔名, 結尾是 .avi" #~ msgid "Could not determine format from filename: %1" #~ msgstr "無法從檔名 %1 決定檔案的格式" #~ msgid "Animate trajectories, reactions, and vibrations." #~ msgstr "使軌跡, 反應與振動變成動畫" #~ msgid "Cartesian Editor" #~ msgstr "直角坐標編輯器" #~ msgid "" #~ "No unit cell defined for molecule -- cannot use fractional coordinates." #~ msgstr "尚未為分子定義單位晶格--無法使用比列坐標 (fractional coordinates)" #~ msgid "Cartesian Editor..." #~ msgstr "直角坐標 (笛卡兒坐標) 編輯" #~ msgid "Cartesian editor" #~ msgstr "直角坐標編輯器" #~ msgid "Number of atoms: %1" #~ msgstr "原子的數目: %1" #~ msgid "Number of rotatable bonds: %1" #~ msgstr "可旋轉的鍵的數目: %1" #~ msgid "Add constraint" #~ msgstr "加入限制條件" #~ msgid "Your molecule must contain at least one atom to add a constraint" #~ msgstr "您的分子至少要有一個原子才能加入一限制條件" #~ msgid "" #~ "Your molecule must contain at least two atoms to add a bond constraint" #~ msgstr "您的分子至少要有兩個原子才能加入一化學鍵結的限制條件" #~ msgid "" #~ "Your molecule must contain at least three atoms to add an angle constraint" #~ msgstr "您的分子至少要三個原子才能加入鍵角的限制條件" #~ msgid "" #~ "Your molecule must contain at least four atoms to add a torsion constraint" #~ msgstr "您的分子至少要有四個原子才能加扭曲的限制條件" #~ msgid "&Length Unit" #~ msgstr "長度單位(&L)" #~ msgid "&Angle Unit" #~ msgstr "角度單位(&A)" #~ msgid "Show &Editors" #~ msgstr "顯示編輯者(&E)" #~ msgctxt "Unit cell lattice" #~ msgid "Lattice Type: %1" #~ msgstr "晶格種類: %1" #~ msgid "Unit cell volume: %L1%2" #~ msgstr "單位晶格體積: %L1%2" #~ msgid "Undefined" #~ msgstr "未定義" #~ msgctxt "Lattice type" #~ msgid "Triclinic" #~ msgstr "三斜晶系" #~ msgctxt "Lattice type" #~ msgid "Monoclinic" #~ msgstr "單斜晶系" #~ msgctxt "Lattice type" #~ msgid "Orthorhombic" #~ msgstr "斜方晶系" #~ msgctxt "Lattice type" #~ msgid "Tetragonal" #~ msgstr "四方晶系" #~ msgctxt "Lattice type" #~ msgid "Hexagonal" #~ msgstr "六方晶系" #~ msgctxt "Lattice type" #~ msgid "Cubic" #~ msgstr "立方晶格" #~ msgid "&Nanometer" #~ msgstr "奈米 (&N)" #~ msgid "&Picometer" #~ msgstr "皮米 (picometer)(&P)" #~ msgid "&Degree" #~ msgstr "角度 (&D)" #~ msgid "&Radian" #~ msgstr "弧度 (&R)" #~ msgid "Display &cartesian coordinates" #~ msgstr "顯示直角坐標系 (&c)" #~ msgid "Trajectory..." #~ msgstr "軌跡..." #~ msgid "Open chemical file format" #~ msgstr "開起化學檔案格式" #~ msgid "Chemical files (*.xyz)" #~ msgstr "化學檔案 (*.xyz)" #~ msgid "Open parameter file" #~ msgstr "開啟參數檔案" #~ msgid "Chemical files (*.parm7)" #~ msgstr "化學檔案 (*.parm7)" #~ msgid "Import Trajectory" #~ msgstr "匯入軌跡" #~ msgid "Import trajectory files" #~ msgstr "匯入軌跡檔" #~ msgid "Calculate Energy" #~ msgstr "計算能量" #~ msgid "Conformer Search..." #~ msgstr "尋找構形異構物" #~ msgid "Constraints..." #~ msgstr "限制條件..." #~ msgid "" #~ "Cannot set up the currently selected force field for this molecule. " #~ "Switching to UFF." #~ msgstr "無法在這分子上設定所選的力場. 切換到 UFF." #~ msgid "Systematic Rotor Search" #~ msgstr "Systematic Rotor Search" #~ msgid "Random Rotor Search" #~ msgstr "Random Rotor Search" #~ msgid "Weighted Rotor Search" #~ msgstr "Weighted Rotor Search" #~ msgid "ForceField" #~ msgstr "力場" #~ msgid "" #~ "Optimize molecules and generate conformers using molecular mechanics " #~ "force fields" #~ msgstr "" #~ "使用分子力學力場 (molecular mechanics force fields) 以最適化分子及產生構形" #~ "異構物" #~ msgid "&Vector Graphics..." #~ msgstr "向量圖形..." #~ msgid "Common vector image formats" #~ msgstr "一般向量圖形格式" #~ msgid "EPS" #~ msgstr "EPS" #~ msgid "Vector graphics export" #~ msgstr "向量圖形匯出" #~ msgid "Change H to Methyl" #~ msgstr "把氫原子換成甲基" #~ msgid "H to Methyl" #~ msgstr "氫到甲基" #~ msgid "H2Methyl" #~ msgstr "H2Methyl" #~ msgid "Transform hydrogens to methyl groups" #~ msgstr "把氫原子轉成甲基" #~ msgid "Add or remove hydrogens" #~ msgstr "加入或移除氫" #~ msgid "Peptide..." #~ msgstr "胜肽..." #~ msgid "Insert oligopeptide sequences" #~ msgstr "插入短胜肽序列" #~ msgid "Invert Chirality" #~ msgstr "反轉掌性" #~ msgid "InvertChiral" #~ msgstr "反轉掌性" #~ msgid "Invert chiral centers" #~ msgstr "反轉掌性中心" #~ msgctxt "Unknown molecule name" #~ msgid "unknown" #~ msgstr "未知" #~ msgid "Estimated Dipole Moment (D):" #~ msgstr "估計的偶極矩 (D):" #~ msgid "Fetch by chemical name..." #~ msgstr "依化學名提取..." #~ msgid "Fetch from URL..." #~ msgstr "取自 URL..." #~ msgid "PDB Entry" #~ msgstr "PDB 項目" #~ msgid "PDB entry to download." #~ msgstr "可供下載 PDB 的項目" #~ msgid "URL" #~ msgstr "URL" #~ msgid "URL of molecule to download." #~ msgstr "可供下載分子的 URL" #~ msgid "Specified molecule could not be loaded: %1" #~ msgstr "無法載入指定的分子: %1" #~ msgid "Network Fetch" #~ msgstr "從網路讀取" #~ msgid "Fetch molecule files over the network." #~ msgstr "從網路讀取分子檔" #~ msgid "Show Preview" #~ msgstr "顯示預覽" #~ msgid "Hide Preview" #~ msgstr "取消預覽" #~ msgid "Save POV-Ray rendered image" #~ msgstr "儲存 POV-Ray 呈現影像" #~ msgid "Image files (*.png *.pbm)" #~ msgstr "圖片檔案 (*.png *.pbm)" #~ msgid "POV-Ray..." #~ msgstr "POV-Ray..." #~ msgid "No valid filename was supplied." #~ msgstr "未提供有效檔名檔名." #~ msgid "Does not compute." #~ msgstr "無法計算" #~ msgid "" #~ "You requested no direct rendering using POV-Ray and not to keep the POV-" #~ "Ray file. This will result in no output being saved. Are you sure that is " #~ "what you want?" #~ msgstr "" #~ "您要求非直接 POV-Ray 呈現及無要保存 POV-Ray 檔案. 這將導致無法儲存輸出的檔" #~ "案. 您確定要這樣做嗎?" #~ msgid "" #~ "Cannot write to file %1. Do you have permissions to write to that " #~ "location?" #~ msgstr "無法寫入檔案 %1. 您有寫入該處的權限嗎?" #~ msgid "POV-Ray failed to start." #~ msgstr "無法啟動 POV-Ray." #~ msgid "" #~ "POV-Ray failed to start. May be the path to the executable is not set " #~ "correctly." #~ msgstr "無法啟動 POV-Ray. 可能是沒有正確設定可執行檔的路徑." #~ msgid "" #~ "Create POV-Ray files and render them using the command line POV-Ray " #~ "program." #~ msgstr "產生及使用 POV-Ray 指令模式來呈現 POV-Ray 檔案" #~ msgid "Conformer Properties..." #~ msgstr "構形異構物的性質..." #~ msgid "Python Terminal" #~ msgstr "Python 終端機" #~ msgid "pythonTerminalDock" #~ msgstr "python 程式的小視窗" #~ msgid "Interactive python scripting terminal" #~ msgstr "互動式 python 指令終端機" #~ msgid "Dalton Input File Generator Warning" #~ msgstr "道耳頓輸入檔產生器之警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Dalton input file preview pane?" #~ msgstr "您要更新預覽文字嗎？將會失去在道耳頓輸入檔預覽處所做的改變。" #~ msgid "QM Matches" #~ msgstr "QM 配對" #~ msgctxt "" #~ "Selection to be used as an Effective Fragment Potential in calculations" #~ msgid "EFP Selection..." #~ msgstr "EFP 選項..." #~ msgctxt "Selection to be used for Quantum Mechanical calculations" #~ msgid "QM Selection..." #~ msgstr "QM 選項..." #~ msgid "Delete" #~ msgstr "刪除" #~ msgid "You must make a selection!" #~ msgstr "您必須先選取" #~ msgid "SMILES Conversion Unavailable" #~ msgstr "無法轉換成 SMILES 化學式" #~ msgid "SMILES Format Conversion Not Available!" #~ msgstr "無法使用轉換 SMILES 化學式" #~ msgid " (" #~ msgstr " (" #~ msgid "efp" #~ msgstr "efp" #~ msgid ")" #~ msgstr ")" #~ msgid "GAMESS" #~ msgstr "GAMESS (原子分子之電子結構系統)" #~ msgid "Create input files for the GAMESS quantum chemistry package" #~ msgstr "產生匯入檔給 GAMESS 量子化學套件" #~ msgid "Advanced Settings Changed" #~ msgstr "進階設定已變更" #~ msgid "" #~ "Advanced settings have changed.\n" #~ "Discard?" #~ msgstr "" #~ "進階設定已變更\n" #~ "要忽略嗎?" #~ msgid "Advanced Settings Reset" #~ msgstr "重設進階設定" #~ msgid "" #~ "Are you sure you wish to reset advanced settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "您確定要重設進階設定嗎?\n" #~ "將失去原先的變更!" #~ msgid "Basic Settings Reset" #~ msgstr "重設基本設定" #~ msgid "" #~ "Are you sure you wish to reset basic settings?\n" #~ "All changes will be lost!" #~ msgstr "" #~ "您確定要重新設定所有的基本設定?\n" #~ "將會失去原先的變更!" #~ msgid "GAMESS-UK Input Deck Generator Warning" #~ msgstr "GAMESS-UK 輸入面板產生器警告" #~ msgid "GAMESS-UK Input Deck" #~ msgstr "GAMESS-UK 輸入面板" #~ msgid "Gaussian Input Deck Generator Warning" #~ msgstr "Gaussian 輸入平台產生器警告" #~ msgid "Gaussian Input Deck" #~ msgstr "Gaussian 輸入平台" #~ msgid "Gaussian Running." #~ msgstr "Gaussian 執行中." #~ msgid "" #~ "Gaussian is already running. Wait until the previous calculation is " #~ "finished." #~ msgstr "Gaussian 正在執行中. 請耐心等候到前一個運算結束." #~ msgid "Gaussian Not Installed." #~ msgstr "尚未安裝 Gaussian." #~ msgid "The G03 executable, cannot be found." #~ msgstr "找不到可執行檔的 G03." #~ msgid "G03 did not start. Perhaps it is not installed correctly." #~ msgstr "無法啟動 G03. 可能是安裝不正確." #~ msgid "Running Gaussian calculation..." #~ msgstr "Running Gaussian calculation..." #~ msgid "G03 Crashed." #~ msgstr "G03 當機." #~ msgid "" #~ "Gaussian did not run correctly. Perhaps it is not installed correctly." #~ msgstr "無法順利執行 Gaussian. 可能是安裝不正確." #~ msgid "&Dalton..." #~ msgstr "道耳頓..." #~ msgid "&Gaussian..." #~ msgstr "高斯(&G)..." #~ msgid "&MOLPRO..." #~ msgstr "&MOLPRO..." #~ msgid "&NWChem..." #~ msgstr "&NWChem..." #~ msgid "&Q-Chem..." #~ msgstr "&Q-Chem..." #~ msgid "Molpro Input Deck Generator Warning" #~ msgstr "Moloro 輸入面板產生器警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Molpro input deck preview pane?" #~ msgstr "您想要更新預覽文字嗎, 將會失去在 Molpro 輸入面板預覽方格所作的變更?" #~ msgid "Molpro Input Deck" #~ msgstr "Molpro 輸入面板" #~ msgid "MOPAC Input Warning" #~ msgstr "MOPAC 輸入警告" #~ msgid "MOPAC Input Deck" #~ msgstr "MOPAC 輸入面板" #~ msgid "MOPAC Running." #~ msgstr "MOPAC 執行中." #~ msgid "" #~ "MOPAC is already running. Wait until the previous calculation is finished." #~ msgstr "MOPAC 執行中. 請耐心等候到完成前一個計算." #~ msgid "MOPAC Not Installed." #~ msgstr "尚未安裝 MOPAC." #~ msgid "The MOPAC executable, cannot be found." #~ msgstr "找不到可執行的 MOPAC." #~ msgid "MOPAC did not start. Perhaps it is not installed correctly." #~ msgstr "無法啟動 MOPAC, 可能是安裝不正確" #~ msgid "Running MOPAC calculation..." #~ msgstr "執行 MOPAC 計算..." #~ msgid "MOPAC Crashed." #~ msgstr "MOPAC 當機" #~ msgid "MOPAC did not run correctly. Perhaps it is not installed correctly." #~ msgstr "無法正確執行 MOPAC, 可能是安裝不正確." #~ msgid "NWChem Input Deck Generator Warning" #~ msgstr "NWChem 輸入工作區產生器警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "NWChem input deck preview pane?" #~ msgstr "" #~ "您希望更新預覽的文字嗎? 將會失去所有在 NWChem 輸入工作區預覽框中的變更" #~ msgid "NWChem Input Deck" #~ msgstr "NWChem 輸入面板" #~ msgid "Q-Chem Input Deck Generator Warning" #~ msgstr "Q-Chem 輸入產生器警告" #~ msgid "" #~ "Would you like to update the preview text, losing all changes made in the " #~ "Q-Chem input deck preview pane?" #~ msgstr "您要更新預覽的文字嗎? 將會失去所有在 Q-Chem 工具列所作的變更." #~ msgid "QChem Input Deck" #~ msgstr "QChem 輸入面板" #~ msgid "Select SMARTS..." #~ msgstr "選擇 SMARTS 化學式..." #~ msgid "Add Named Selection..." #~ msgstr "新增命名的選項" #~ msgid "SMARTS Selection" #~ msgstr "SMARTS 化學式選項" #~ msgid "SMARTS pattern to select" #~ msgstr "請輸入需要的 SMARTS 樣式" #~ msgid "There is no current selection." #~ msgstr "目前沒有選項" #~ msgid "Add Named Selection" #~ msgstr "新增命名的選項" #~ msgid "Name cannot be empty." #~ msgstr "名稱不能留空白" #~ msgid "There is already a selection with this name." #~ msgstr "已存在一個同名的選項" #~ msgid "Selections" #~ msgstr "選項" #~ msgid "Select atoms, bonds, residues..." #~ msgstr "選取原子, 鍵,殘基..." #~ msgid "GLSL Shaders..." #~ msgstr "GLSL Shaders (GLSL 幕後工程師)..." #~ msgid "Open a vertex shader source file" #~ msgstr "開啟 vertex shader 來源檔" #~ msgid "Vertex shader files (*.vert)" #~ msgstr "Vertex shader 檔案 (*.vert)" #~ msgid "Open a fragment shader source file" #~ msgstr "開啟 fragment shader 來源檔" #~ msgid "Fragment shader files (*.frag)" #~ msgstr "Fragment shader 檔案 (*.frag)" #~ msgid "Open a shader parameters file" #~ msgstr "Open a shader parameters 檔案" #~ msgid "Shader parameters files (*.params)" #~ msgstr "Shader 參數檔案 (*.params)" #~ msgid "GLSL Shaders" #~ msgstr "GLSL Shaders" #~ msgid "Load and use OpenGL 2.0 GLSL shaders" #~ msgstr "載入及使用 OpenGL 2.0 GLSL shaders" #~ msgid "Intensity (arb. units)" #~ msgstr "強度 (arb. 單位)" #~ msgid "Density of States (states/cell)" #~ msgstr "態密度 (態/晶格)" #~ msgid "Density of States (states/atom)" #~ msgstr "態密度 (態/原子)" #~ msgid "Density of States (states/valence electron)" #~ msgstr "態密度 (態/價電子)" #~ msgid "Transmittance (%)" #~ msgstr "透光度 (%)" #~ msgid "Absorbance (%)" #~ msgstr "吸光度 (%)" #~ msgid "No intensities" #~ msgstr "沒有強度" #~ msgid "" #~ "The vibration data in the molecule you have loaded does not have any " #~ "intensity data. Intensities have been set to an arbitrary value for " #~ "visualization." #~ msgstr "" #~ "您所載入的分子振動資料沒有任何強度的訊息. 為呈現圖形, 強度將設為任意的值." #~ msgid "Activity" #~ msgstr "活性" #~ msgid "X Axis" #~ msgstr "X 軸" #~ msgid "Y Axis" #~ msgstr "Y 軸" #~ msgid "&Infrared Spectra Settings" #~ msgstr "紅外線光譜設定" #~ msgctxt "NMR spectra option" #~ msgid "NMR" #~ msgstr "NMR (核磁共振)" #~ msgid "&NMR Spectra Settings" #~ msgstr "NMR (核磁共振) 光譜設定" #~ msgctxt "Density of States" #~ msgid "DOS" #~ msgstr "DOS" #~ msgid "&UV Settings" #~ msgstr "&UV 設定" #~ msgid "&CD Settings" #~ msgstr "&CD 設定" #~ msgid "&Raman Settings" #~ msgstr "拉曼設定" #~ msgid "No data" #~ msgstr "沒有資料" #~ msgid "Dark" #~ msgstr "暗" #~ msgid "Publication" #~ msgstr "出版" #~ msgid "Handdrawn" #~ msgstr "手繪" #~ msgid "New Scheme" #~ msgstr "新方案" #~ msgid "Confirm Scheme Removal" #~ msgstr "確認方案移除" #~ msgid "Really remove current scheme?" #~ msgstr "真的要移除目前的方案?" #~ msgid "Change Scheme Name" #~ msgstr "改變方案名稱" #~ msgid "Enter new name for current scheme:" #~ msgstr "為目前的方案輸入新名稱" #~ msgid "Tab Separated Values (*.tsv)" #~ msgstr "標上分開的數值 (*.tsv)" #~ msgid "Tab Separated Values" #~ msgstr "標上分開的數值" #~ msgid "Comma Separated Values" #~ msgstr "逗號分開的數值" #~ msgid "JCAMP-DX" #~ msgstr "JCAMP-DX" #~ msgid "Unknown extension: %1" #~ msgstr "未知的附檔名: %1" #~ msgctxt "Do not remove 'IR' or '(*.out)' -- needed for parsing later" #~ msgid "PWscf IR data (*.out)" #~ msgstr "PWscf 紅外線資料 (*.out)" #~ msgctxt "Do not remove 'IR' or '(control)' -- needed for parsing later" #~ msgid "Turbomole IR data (control)" #~ msgstr "Turbomole 紅外線資料 (控制)" #~ msgctxt "Do not remove 'UV' or '(spectrum)' -- needed for parsing later" #~ msgid "Turbomole UV data (spectrum)" #~ msgstr "Turbomole UV 數據 (光譜)" #~ msgctxt "Do not remove 'CD' or '(cdspectrum)' -- needed for parsing later" #~ msgid "Turbomole CD data (cdspectrum)" #~ msgstr "Turbomole CD 數據 (cdspectrum)" #~ msgid "Data Format" #~ msgstr "資料格式" #~ msgctxt "noun, not verb" #~ msgid "Format:" #~ msgstr "格式:" #~ msgid "Load Spectral Data" #~ msgstr "載入光譜資料" #~ msgid "Turbomole CD file is improperly formatted : %1" #~ msgstr "Turbomole CD 檔不是適當的檔案格式: %1" #~ msgid "Portable Network Graphics" #~ msgstr "Portable Network Graphics (PNG 檔)" #~ msgid "jpeg" #~ msgstr "jpeg (jpeg 檔)" #~ msgid "Tagged Image File Format" #~ msgstr "Tagged Image File Format (TIFF 檔)" #~ msgid "Windows Bitmap" #~ msgstr "Windows Bitmap (位元影像圖形)" #~ msgid "Portable Pixmap" #~ msgstr "Portable Pixmap (可攜像素圖格式;PPM格式)" #~ msgid "X11 Bitmap" #~ msgstr "X11 Bitmap (X11 位元影像圖格式)" #~ msgid "X11 Pixmap" #~ msgstr "X11 Pixmap (X11 像素圖格式)" #~ msgid "Save Spectra Image" #~ msgstr "儲存光譜圖形" #~ msgid "&Advanced <<" #~ msgstr "進階 <<" #~ msgid "&Advanced >>" #~ msgstr "進階 >>" #~ msgid "&Spectra..." #~ msgstr "光譜..." #~ msgid "Visualize spectral data from quantum chemistry calculations" #~ msgstr "從量子化學計算顯示光譜的資料" #~ msgid "ε (cm2/mmol)" #~ msgstr "ε (cm2/mmol)" #~ msgid "Vibrational Analysis" #~ msgstr "振動分析" #~ msgid "No vibrational displacements exist." #~ msgstr "振動置換 (vibrational displacements) 不存在" #~ msgid "Visualize vibrational modes from quantum chemistry calculations" #~ msgstr "依照量子化學計算的結果呈現振動的模式" #~ msgid "Sorting %1 vibrations by frequency..." #~ msgstr "依照頻率將 %1 的振動加以分類排序..." #~ msgid "Pause" #~ msgstr "暫停" #~ msgid "Super Cell Builder..." #~ msgstr "超級晶格產生器..." #~ msgid "" #~ "This document is currently an isolated molecule. You need to create a " #~ "unit cell." #~ msgstr "此文件有個單獨的分子. 您需要新增一個單位晶格." #~ msgid "Build and display crystallographic super cells" #~ msgstr "建立及呈現結晶學上的超級晶格" #~ msgid "Molecular Orbitals..." #~ msgstr "分子軌域..." #~ msgid "Orbitals" #~ msgstr "軌域" #~ msgctxt "A cube type of nothing - empty cube" #~ msgid "Nothing" #~ msgstr "無" #~ msgctxt "Van der Waals surface type" #~ msgid "Van der Waals" #~ msgstr "凡得瓦" #~ msgctxt "Electron density surface type" #~ msgid "Electron Density" #~ msgstr "電子密度" #~ msgctxt "Undefined cube type" #~ msgid "Error - undefined type" #~ msgstr "錯誤-未定義之種類" #~ msgid "Calculating VdW Cube" #~ msgstr "計算 VdW 立方" #~ msgctxt "Molecular Orbital" #~ msgid "Calculating MO %L1" #~ msgstr "計算 MO %L1" #~ msgid "VdW" #~ msgstr "VdW" #~ msgid "Calculate molecular orbitals and other surfaces" #~ msgstr "計算分子的軌域及其他表面" #~ msgid "GL widget was not correctly initialized in order to make a video" #~ msgstr "GL widget 沒有被正確的啟動以至無法產生影片" #~ msgid "GL widget has no molecule" #~ msgstr "GL widget 沒有分子" #~ msgid "Building video " #~ msgstr "產生影片中 " #~ msgid "Could not run mencoder." #~ msgstr "無法執行 memcoder" #~ msgid "Set Aspect Ratio" #~ msgstr "Set Aspect Ratio" #~ msgid "" #~ "The current Avogadro scene is %1x%2 pixels large, and therefore has " #~ "aspect ratio %3.\n" #~ "You may keep this value, for example if you intend to use POV-Ray\n" #~ "to produce an image of %4x1000 pixels, or you may enter any other " #~ "positive value,\n" #~ "for example 1 if you intend to use POV-Ray to produce a square image, " #~ "like 1000x1000 pixels." #~ msgstr "" #~ "目前 Avogadro 的工作視窗是 %1x%2 畫素, 而畫面比例是 %3.\n" #~ "您可以保留這設定, 例如, 如果您想要使用 POV-Ray\n" #~ "以產生 %4x1000 畫素的影像, 或者您可以自行設定畫面的大小,\n" #~ "例如範本 1 , 您可以設定成正方形的影像, 大小是 1000x1000 畫素." #~ msgid "Connect" #~ msgstr "連接" #~ msgid "Disconnect" #~ msgstr "斷線" #~ msgid "&WiiTrack" #~ msgstr "WiiTrack" #~ msgid "Wii Tracking" #~ msgstr "Wii 追蹤" #~ msgid "Track motion using Wii remotes" #~ msgstr "使用 Wii 遙控器作追蹤" #~ msgid "" #~ "Invalid OpenGL context.\n" #~ "Either something is completely broken in your OpenGL setup (can you run " #~ "any OpenGL application?), or you found a bug." #~ msgstr "無效的 OpenGL 上下文" #~ msgid "Debug Information" #~ msgstr "除錯訊息" #~ msgid "FPS: %L1" #~ msgstr "FPS: %L1" #~ msgid "View Size: %L1 x %L2" #~ msgstr "可視大小: %L1 x %L2" #~ msgid "Atoms: %L1" #~ msgstr "原子: %L1" #~ msgid "OBMol: index %1 out of reach." #~ msgstr "OBMol: index %1 超出範圍." #~ msgid "File type '%1' is not supported for reading." #~ msgstr "無法讀取 '%1' 這種不支援的檔案格式" #~ msgid "File type for file '%1' is not supported for reading." #~ msgstr "無法讀取 '%1' 這種不支援的檔案" #~ msgid "Reading molecule with index %1 from file '%2' failed." #~ msgstr "從檔案 '%2'使用 index %1 讀取分子失敗." #~ msgid "replaceMolecule: index %1 out of reach." #~ msgstr "取代分子: index %1 超出範圍." #~ msgid "File type '%1' is not supported for writing." #~ msgstr "不支援檔案 '%1'寫入功能" #~ msgid "File type for file '%1' is not supported for writing." #~ msgstr "不支援寫數 '%1' 這種檔案格式" #~ msgid "Could not open file '%1' for reading." #~ msgstr "無法開啟檔案 '%1' 以讀取" #~ msgid "Replacing molecule with index %1 in file '%2' failed." #~ msgstr "在檔案 '%2' 使用 index %1 置換分子失敗." #~ msgid "File %1 cannot be opened for reading." #~ msgstr "無法開啟檔案 '%1' 以讀取" #~ msgid "File %1 can not be opened for writing." #~ msgstr "無法開啟檔案 '%1' 以進行寫入" #~ msgid "Saving molecular file failed - could not rename original file." #~ msgstr "儲存分子檔失敗--無法寫入原始檔." #~ msgid "Saving molecular file failed - could not rename new file." #~ msgstr "儲存分子檔失敗--無法重新命名新檔." #~ msgid "Saving molecular file failed - could not remove old file." #~ msgstr "儲存分子檔失敗--無法移除舊檔." #~ msgid "Writing a molecule to file '%1' failed. OpenBabel function failed." #~ msgstr "寫入分子檔 '%1' 失敗. OpenBabel 功能失效" #~ msgid "File %1 cannot be opened for writing." #~ msgstr "無法開啟檔案 %1 以寫入." #~ msgid "Writing conformers to file '%1' failed." #~ msgstr "寫入構形異構物到檔案 '%1' 失敗." #~ msgid "Molecule %1" #~ msgstr "分子 %1" #~ msgctxt "Default license for all Avogadro plugins" #~ msgid "GPL2+" #~ msgstr "GPL2+" #~ msgid "Unknown Python Engine" #~ msgstr "未知到 Python 引擎" #~ msgid "PythonEngine: checking " #~ msgstr "PythonEngine: 檢查中 " #~ msgid " - script has no 'Engine' class defined" #~ msgstr " - 沒有為腳本 (script) 定義 '引擎' class" #~ msgid " - no module" #~ msgstr " 沒有模組" #~ msgid "Unknown Python Extension" #~ msgstr "未知的 Python 延伸" #~ msgid "PythonExtension: checking " #~ msgstr "PythonExtension: 檢查中 " #~ msgid " - script has no 'Extension' class defined" #~ msgstr " - 沒有為腳本 (script) 定義 '延伸' class" #~ msgid "Unknown Python Tool" #~ msgstr "未知的 Python 工具" #~ msgid "PythonTool: checking " #~ msgstr "PythonTool: 檢查中 " #~ msgid " - script has no 'Tool' class defined" #~ msgstr " - 沒有為腳本 (script) 定義 '工具' class" #~ msgid "Tools" #~ msgstr "工具" #~ msgid "Align:" #~ msgstr "排列：" #~ msgid "Everything" #~ msgstr "任何東西" #~ msgid "AutoOpt: Could not setup force field...." #~ msgstr "自動最佳化: 無法設定力場... (請檢查所繪製的分子是否正確)" #~ msgid "AutoOpt: E = %1 %2 (dE = %3)" #~ msgstr "AutoOpt: E = %1 %2 (dE = %3)" #~ msgid "Num Constraints: %1" #~ msgstr "Num Constraints: %1" #~ msgid "Steps per Update:" #~ msgstr "每次更新步數：" #~ msgid "Algorithm:" #~ msgstr "演算法：" #~ msgid "Molecular Dynamics (600K)" #~ msgstr "分子動力學 (600 K)" #~ msgid "Molecular Dynamics (900K)" #~ msgstr "分子動力學 (900 K)" #~ msgid "Start" #~ msgstr "開始" #~ msgid "Fixed atoms are movable" #~ msgstr "固定原子可移動" #~ msgid "Ignored atoms are movable" #~ msgstr "被忽略的原子可移動" #~ msgid "AutoOpt Molecule" #~ msgstr "自動最佳化分子" #~ msgid "Automatic optimization of molecular geometry" #~ msgstr "自動最適化分子的幾何構形" #~ msgid "AutoOptimization Settings" #~ msgstr "自動最適化設定" #~ msgid "Auto Rotation Tool" #~ msgstr "自動旋轉工具" #~ msgid "x rotation:" #~ msgstr "繞 X 軸旋轉：" #~ msgid "x rotation" #~ msgstr "繞 X 軸旋轉" #~ msgid "y rotation:" #~ msgstr "繞 Y 軸旋轉：" #~ msgid "y rotation" #~ msgstr "繞 Y 軸旋轉：" #~ msgid "z rotation:" #~ msgstr "繞 Z 軸旋轉：" #~ msgid "z rotation" #~ msgstr "繞 Z 軸旋轉" #~ msgid "Automatic rotation of molecules" #~ msgstr "自動旋轉分子" #~ msgid "AutoRotate Settings" #~ msgstr "自動旋轉設定" #~ msgctxt "%L1 is the length of the bond" #~ msgid "Bond Length: %L1" #~ msgstr "鍵長: %L1" #~ msgid " Show Angles" #~ msgstr " 顯示角度" #~ msgid "Snap-to Threshold: " #~ msgstr "貼近下限： " #~ msgid "Bond Centric Manipulate" #~ msgstr "鍵中心調整" #~ msgid "Manipulation of bond lengths, angles, and torsions" #~ msgstr "調整鍵長, 鍵角及扭力" #~ msgid "Bond Centric Manipulate Settings" #~ msgstr "鍵中心調整設定" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (2->3): %L1 %2" #~ msgstr "距離 (2->3): %L1 %2" #~ msgctxt "%L1 is distance, %2 is Angstrom symbol" #~ msgid "Distance (3->4): %L1 %2" #~ msgstr "距離 (3->4): %L1 %2" #~ msgid "Dihedral Angle: %1 °" #~ msgstr "二平面角度: %1 °" #~ msgctxt "*1 is a number. You most likely do not need to translate this" #~ msgid "*1" #~ msgstr "*1" #~ msgctxt "*2 is a number. You most likely do not need to translate this" #~ msgid "*2" #~ msgstr "*2" #~ msgctxt "*3 is a number. You most likely do not need to translate this" #~ msgid "*3" #~ msgstr "*3" #~ msgctxt "*4 is a number. You most likely do not need to translate this" #~ msgid "*4" #~ msgstr "*4" #~ msgid "Distance(s):" #~ msgstr "距離：" #~ msgid "Measure bond lengths, angles, and dihedrals" #~ msgstr "測量鍵長, 角度及二平面" #~ msgid "Draw Bond" #~ msgstr "繪製鍵" #~ msgid "Draw and edit atoms and bonds" #~ msgstr "繪製及編輯原子與鍵" #~ msgid "Draw Settings" #~ msgstr "繪製功能設定" #~ msgid "Translate, rotate, and adjust atoms and fragments" #~ msgstr "轉化, 旋轉, 和調整原子及片斷" #~ msgid "Manipulate Settings" #~ msgstr "調整功能設定" #~ msgid "Translate, rotate, and zoom around the current view" #~ msgstr "轉化, 旋轉及縮放目前的視景" #~ msgid "Navigate Settings" #~ msgstr "導引功能設定" #~ msgid "Selection Mode:" #~ msgstr "選擇模式：" #~ msgid "Atom/Bond" #~ msgstr "原子/鍵" #~ msgid "Residue" #~ msgstr "殘基" #~ msgid "Change color of the atom" #~ msgstr "改變該原子的顏色" #~ msgid "Change label of the atom" #~ msgstr "改變該原子的標籤" #~ msgid "Change label of the bond" #~ msgstr "改變該鍵的標籤" #~ msgid "Change radius of the atom" #~ msgstr "改變該原子的半徑" #~ msgctxt "in Angstrom" #~ msgid "New Radius, %1:" #~ msgstr "新的半徑, %1:" #~ msgid "Select atoms, residues, and molecules" #~ msgstr "選取原子, 殘基與分子" #~ msgid "Symbol" #~ msgstr "符號" #~ msgid "Bond Length" #~ msgstr "鍵長" #~ msgid "Dihedral Angle" #~ msgstr "二平面角" #~ msgid "Z Matrix Editor..." #~ msgstr "Z Matrix 編輯器..." #~ msgid "Z-Matrix" #~ msgstr "Z-Matrix" #~ msgid "Create/edit a z-matrix" #~ msgstr "新增/編輯 z-matrix" #~ msgid "Z-Matrix Settings" #~ msgstr "Z-Matrix 設定" #~ msgid "Color residues by:" #~ msgstr "殘基上色依照:" #~ msgid "Hydrophobicity" #~ msgstr "疏水性" #~ msgid "Axes:" #~ msgstr "軸：" #~ msgid "Cartesian Axes" #~ msgstr "直角坐標軸" #~ msgid "Orthogonal Axes" #~ msgstr "正交軸" #~ msgid "Axis 1:" #~ msgstr "軸 1：" #~ msgid "Axis 2:" #~ msgstr "軸 2：" #~ msgid "Axis 3:" #~ msgstr "軸 3：" #~ msgid "Norm" #~ msgstr "Norm" #~ msgid "Preserve vector norms" #~ msgstr "保留向量範數" #~ msgid "Atom Radius:" #~ msgstr "原子半徑：" #~ msgid "Bond Radius:" #~ msgstr "鍵的半徑：" #~ msgid "Shape" #~ msgstr "形狀" #~ msgid "a" #~ msgstr "a" #~ msgid "b" #~ msgstr "b" #~ msgid "c" #~ msgstr "c" #~ msgid "Loop" #~ msgstr "圈" #~ msgid "Dipole:" #~ msgstr "偶極:" #~ msgid "Custom Vector" #~ msgstr "自訂向量" #~ msgid "Custom:" #~ msgstr "自訂:" #~ msgid "Cut-off radius:" #~ msgstr "截止半徑" #~ msgid "Cut-off angle:" #~ msgstr "截斷角度：" #~ msgid "Rendering Engine:" #~ msgstr "描述之引擎:" #~ msgid "TextRenderer" #~ msgstr "文字描述器" #~ msgid "QPainter" #~ msgstr "QPainter" #~ msgid "Text:" #~ msgstr "文字：" #~ msgid "Symbol & Number in Group" #~ msgstr "在一群原子中，符號與編號" #~ msgid "Symbol & Atom number" #~ msgstr "原子符號與原子序" #~ msgid "Residue number" #~ msgstr "殘基編號" #~ msgid "Custom data" #~ msgstr "客製資料" #~ msgid "Change Font" #~ msgstr "改變字型" #~ msgid "x : " #~ msgstr "x : " #~ msgid "y : " #~ msgstr "y : " #~ msgid "z : " #~ msgstr "z : " #~ msgid "Label Shift:" #~ msgstr "Label Shift:" #~ msgid "Bond length" #~ msgstr "鍵的長度" #~ msgid "Bond number" #~ msgstr "鍵的編號" #~ msgid "Bond order" #~ msgstr "鍵的級數" #~ msgid "Radius:" #~ msgstr "半徑:" #~ msgid "Include Nitrogens" #~ msgstr "包含氮" #~ msgid "VdW Opacity:" #~ msgstr "VdW 不透明度：" #~ msgid "Orbital:" #~ msgstr "軌域：" #~ msgid "Render:" #~ msgstr "呈現:" #~ msgid "Fill" #~ msgstr "填入" #~ msgid "Points" #~ msgstr "點" #~ msgid "Draw Box:" #~ msgstr "繪製盒：" #~ msgid "Mapped Colors" #~ msgstr "繪製地圖的顏色" #~ msgid "Positive" #~ msgstr "正" #~ msgid "Negative" #~ msgstr "負" #~ msgid "Show Atoms" #~ msgstr "Show Atoms" #~ msgid "Animate Trajectory" #~ msgstr "動畫軌跡" #~ msgid "0/0" #~ msgstr "0/0" #~ msgctxt "Continually re-run the animation in a loop" #~ msgid "Loop" #~ msgstr "迴圈 (重複播放動畫)" #~ msgid "Save as .avi..." #~ msgstr "存成 .avi..." #~ msgid "Bohrs" #~ msgstr "波爾" #~ msgid "XYZ" #~ msgstr "XYZ" #~ msgid "XYZ, coords only" #~ msgstr "XYZ, 只有坐標" #~ msgid "GAMESS Input #2" #~ msgstr "GAMESS 輸入 #2" #~ msgid "Priroda Input" #~ msgstr "Priroda 輸入" #~ msgid "Apply Changes" #~ msgstr "套用變更" #~ msgid "Cut All" #~ msgstr "剪下所有" #~ msgid "Paste to the End" #~ msgstr "貼到末端" #~ msgid "(None)" #~ msgstr "（無）" #~ msgid "Sort by " #~ msgstr "分類是根據 " #~ msgid "Number of atoms:" #~ msgstr "原子的數目:" #~ msgid "Number of rotatable bonds:" #~ msgstr "可旋轉鍵的數目" #~ msgid "Ignore Atom" #~ msgstr "忽略原子" #~ msgid "Fix Atom" #~ msgstr "固定原子" #~ msgid "Fix Atom X" #~ msgstr "固定原子 X" #~ msgid "Fix Atom Y" #~ msgstr "固定原子 Y" #~ msgid "Fix Atom Z" #~ msgstr "固定原子 Z" #~ msgid "Torsion angle" #~ msgstr "扭轉角度" #~ msgid "Add" #~ msgstr "新增" #~ msgid "Save" #~ msgstr "儲存" #~ msgid "Load" #~ msgstr "載入" #~ msgid "Cartesian" #~ msgstr "笛卡耳 (直角座標)" #~ msgid "All" #~ msgstr "全部" #~ msgid "File Import..." #~ msgstr "匯入檔案..." #~ msgid "Attempt to perceive bonds?" #~ msgstr "嘗試著去理解鍵嗎?" #~ msgid "Setup Force Field" #~ msgstr "建立力場" #~ msgid "Ghemical" #~ msgstr "Ghemical" #~ msgid "Number of steps" #~ msgstr "步驟數" #~ msgid "Algorithm" #~ msgstr "演算法" #~ msgid "Ala" #~ msgstr "Ala 丙胺酸" #~ msgid "Arginine" #~ msgstr "Arginine 精胺酸" #~ msgid "Arg" #~ msgstr "Arg 精胺酸" #~ msgid "Asparagine" #~ msgstr "Asparagine 天門冬醯胺" #~ msgid "Asn" #~ msgstr "Asn 天門冬醯胺" #~ msgid "Aspartic acid" #~ msgstr "Aspartic acid 天門冬酸" #~ msgid "Asp" #~ msgstr "Asp 天門冬酸" #~ msgid "Cysteine" #~ msgstr "Cysteine 半胱胺酸" #~ msgid "Cys" #~ msgstr "Cys 半胱胺酸" #~ msgid "Glutamic acid" #~ msgstr "Glutamic acid 麩胺酸" #~ msgid "Glu" #~ msgstr "Glu 麩胺酸" #~ msgid "Glutamine" #~ msgstr "Glutamine 麩醯胺" #~ msgid "Gln" #~ msgstr "Gln 麩醯胺" #~ msgid "Glycine" #~ msgstr "Glycine 甘胺酸" #~ msgid "Gly" #~ msgstr "Gly 甘胺酸" #~ msgid "Histidine" #~ msgstr "Histidine 組胺酸" #~ msgid "His" #~ msgstr "His 組胺酸" #~ msgid "Isoleucine" #~ msgstr "Isoleucine 異白胺酸" #~ msgid "Ile" #~ msgstr "Ile 異白胺酸" #~ msgid "Val" #~ msgstr "Val 纈胺酸" #~ msgid "Tyr" #~ msgstr "Tyr 酪胺酸" #~ msgid "Tryptophan" #~ msgstr "Tryptophan 色胺酸" #~ msgid "Trp" #~ msgstr "Trp 色胺酸" #~ msgid "Threonine" #~ msgstr "Threonine 蘇胺酸" #~ msgid "Thr" #~ msgstr "Thr 蘇胺酸" #~ msgid "Serine" #~ msgstr "Serine 絲胺酸" #~ msgid "Ser" #~ msgstr "Ser 絲胺酸" #~ msgid "Proline" #~ msgstr "Proline 脯胺酸" #~ msgid "Phenylalanine" #~ msgstr "Phenylalanine 苯丙胺酸" #~ msgid "Phe" #~ msgstr "Phe 苯丙胺酸" #~ msgid "Methionine" #~ msgstr "Methionine 甲硫胺酸" #~ msgid "Met" #~ msgstr "Met 甲硫胺酸" #~ msgid "Lysine" #~ msgstr "Lysine 離胺酸" #~ msgid "Lys" #~ msgstr "Lys 離胺酸" #~ msgid "Leucine" #~ msgstr "Leucine 白胺酸" #~ msgid "Leu" #~ msgstr "Leu 白胺酸" #~ msgid "Sequence (N to C):" #~ msgstr "序列 (由 N 到 C):" #~ msgid "Stereochemistry:" #~ msgstr "立體化學" #~ msgid "L" #~ msgstr "L" #~ msgid "N Terminus:" #~ msgstr "N 端:" #~ msgid "C Terminus:" #~ msgstr "C 端:" #~ msgid "NH₂" #~ msgstr "NH₂" #~ msgid "NH₃⁺" #~ msgstr "NH₃⁺" #~ msgid "CO₂H" #~ msgstr "CO₂H" #~ msgid "CO₂⁻" #~ msgstr "CO₂⁻" #~ msgid "Straight Chain" #~ msgstr "直鍊" #~ msgid "Alpha Helix" #~ msgstr "Alpha Helix (alpha 螺旋)" #~ msgid "Beta Sheet" #~ msgstr "Beta Sheet (beta 平版)" #~ msgid "Pi Helix" #~ msgstr "Pi 螺旋" #~ msgid "Phi:" #~ msgstr "Phi:" #~ msgid "Chain Number:" #~ msgstr "鍊的數目:" #~ msgid "The chain number for the new peptide" #~ msgstr "新胜肽的鍊數" #~ msgid "E" #~ msgstr "E" #~ msgid "F" #~ msgstr "F" #~ msgid "Number of Residues:" #~ msgstr "殘基的數目:" #~ msgid "Dipole Moment (D):" #~ msgstr "偶極距 (D):" #~ msgid "RHF" #~ msgstr "RHF" #~ msgid "DFT" #~ msgstr "DFT" #~ msgid "MP2" #~ msgstr "MP2" #~ msgid "CCSD" #~ msgstr "CCSD" #~ msgid "Advanced" #~ msgstr "進階" #~ msgid "Grid" #~ msgstr "Grid" #~ msgid "POV-Ray Export" #~ msgstr "POV-Ray 匯出" #~ msgid "Select..." #~ msgstr "選取..." #~ msgid "povray" #~ msgstr "povray" #~ msgid "Use full scene antialiasing" #~ msgstr "使用全景抗鋸齒化" #~ msgid "Antialias" #~ msgstr "平滑化/反鋸齒" #~ msgid "Set the background color to be transparent" #~ msgstr "將背景顏色設為透明" #~ msgid "Alpha transparency" #~ msgstr "Alpha 透明" #~ msgid "Render the molecule directly using command line POV-Ray" #~ msgstr "直接使用 POV-Ray 命令列呈現此分子" #~ msgid "Keep the POV-Ray source after rendering has completed" #~ msgstr "在完成呈現後, 保持 POV-Ray 的來源" #~ msgid "Keep POV-Ray source after rendering" #~ msgstr "呈現後, 保持 POV-Ray 的來源" #~ msgid "Path:" #~ msgstr "路徑\"" #~ msgid "0.0" #~ msgstr "0.0" #~ msgid "Compute..." #~ msgstr "計算..." #~ msgid "Basics" #~ msgstr "基本" #~ msgid "" #~ "Adds what you type in the title line of the input file for your own\n" #~ "informative purposes." #~ msgstr "為了您資訊上的目的，將加入您在輸入檔案的標題行所鍵入的文字." #~ msgid "HF" #~ msgstr "HF" #~ msgid "KS-DFT" #~ msgstr "KS-DFT" #~ msgid "cc-pVDZ" #~ msgstr "cc-pVDZ" #~ msgid "cc-pVTZ" #~ msgstr "cc-pVTZ" #~ msgid "cc-pVQZ" #~ msgstr "cc-pVQZ" #~ msgid "cc-pV5Z" #~ msgstr "cc-pV5Z" #~ msgid "cc-pV6Z" #~ msgstr "cc-pV6Z" #~ msgid "STO-nG" #~ msgstr "STO-nG" #~ msgid "Pople-style" #~ msgstr "Pople-style" #~ msgid "Jensen's polarization consistent" #~ msgstr "Jensen's polarization consistent" #~ msgid "Dunning's correlation consistent" #~ msgstr "Dunning's correlation consistent" #~ msgid "aug-cc-pVDZ" #~ msgstr "aug-cc-pVDZ" #~ msgid "aug-cc-pVTZ" #~ msgstr "aug-cc-pVTZ" #~ msgid "aug-cc-pVQZ" #~ msgstr "aug-cc-pVQZ" #~ msgid "aug-cc-pV5Z" #~ msgstr "aug-cc-pV5Z" #~ msgid "aug-cc-pV6Z" #~ msgstr "aug-cc-pV6Z" #~ msgid "cc-pCVDZ" #~ msgstr "cc-pCVDZ" #~ msgid "cc-pCVTZ" #~ msgstr "cc-pCVTZ" #~ msgid "cc-pCVQZ" #~ msgstr "cc-pCVQZ" #~ msgid "cc-pCV5Z" #~ msgstr "cc-pCV5Z" #~ msgid "cc-pwCVDZ" #~ msgstr "cc-pwCVDZ" #~ msgid "cc-pwCVTZ" #~ msgstr "cc-pwCVTZ" #~ msgid "cc-pwCVQZ" #~ msgstr "cc-pwCVQZ" #~ msgid "cc-pwCV5Z" #~ msgstr "cc-pwCV5Z" #~ msgid "Core correlating functions" #~ msgstr "Core correlating functions" #~ msgid "Diffuse functions" #~ msgstr "擴散函數" #~ msgid "STO-2G" #~ msgstr "STO-2G" #~ msgid "STO-3G" #~ msgstr "STO-3G" #~ msgid "STO-6G" #~ msgstr "STO-6G" #~ msgid "3-21G" #~ msgstr "3-21G" #~ msgid "4-31G" #~ msgstr "4-31G" #~ msgid "6-31G" #~ msgstr "6-31G" #~ msgid "6-311G" #~ msgstr "6-311G" #~ msgid "3-21++G" #~ msgstr "3-21++G" #~ msgid "6-31+G" #~ msgstr "6-31+G" #~ msgid "6-31++G" #~ msgstr "6-31++G" #~ msgid "3-21G*" #~ msgstr "3-21G*" #~ msgid "6-31G*" #~ msgstr "6-31G*" #~ msgid "6-31G**" #~ msgstr "6-31G**" #~ msgid "6-31G(3df,3pd)" #~ msgstr "6-31G(3df,3pd)" #~ msgid "6-311G*" #~ msgstr "6-311G*" #~ msgid "6-311G**" #~ msgstr "6-311G**" #~ msgid "6-311G(2df,2pd)" #~ msgstr "6-311G(2df,2pd)" #~ msgid "3-21++G*" #~ msgstr "3-21++G*" #~ msgid "6-31+G*" #~ msgstr "6-31+G*" #~ msgid "6-31++G*" #~ msgstr "6-31++G*" #~ msgid "6-31++G**" #~ msgstr "6-31++G**" #~ msgid "6-311+G*" #~ msgstr "6-311+G*" #~ msgid "6-311++G**" #~ msgstr "6-311++G**" #~ msgid "6-311++G(2d,2p)" #~ msgstr "6-311++G(2d,2p)" #~ msgid "6-311++G(3df,3pd)" #~ msgstr "6-311++G(3df,3pd)" #~ msgid "pc-0" #~ msgstr "pc-0" #~ msgid "pc-1" #~ msgstr "pc-1" #~ msgid "pc-2" #~ msgstr "pc-2" #~ msgid "pc-3" #~ msgstr "pc-3" #~ msgid "pc-4" #~ msgstr "pc-4" #~ msgid "apc-0" #~ msgstr "apc-0" #~ msgid "apc-1" #~ msgstr "apc-1" #~ msgid "apc-2" #~ msgstr "apc-2" #~ msgid "apc-3" #~ msgstr "apc-3" #~ msgid "apc-4" #~ msgstr "apc-4" #~ msgid "aug-cc-pCVDZ" #~ msgstr "aug-cc-pCVDZ" #~ msgid "aug-cc-pCVTZ" #~ msgstr "aug-cc-pCVTZ" #~ msgid "aug-cc-pCVQZ" #~ msgstr "aug-cc-pCVQZ" #~ msgid "aug-cc-pCV5Z" #~ msgstr "aug-cc-pCV5Z" #~ msgid "Direct" #~ msgstr "Direct" #~ msgid "" #~ "Run in parallel where possible. This is only possible for SCF\n" #~ "wavefunctions and DFT calculations. Dalton only supports MPI\n" #~ "in the current release and must be compiled and installed\n" #~ "correctly. The number of nodes are set by using the \"-N #\" option when " #~ "executing the \"dalton\" script." #~ msgstr "" #~ "請盡可能同時執行. 這只可能對 SCF\n" #~ "波函數以及 DFT 的計算. Dalton 只支援目前版本的 MPI\n" #~ ", 而且務必正確的編譯及安裝.\n" #~ "當執行 \"dalton\" 腳本時, 節點的數目將被設 \"-N#\" 選項." #~ msgid "Parallel" #~ msgstr "平行" #~ msgid "d-" #~ msgstr "d-" #~ msgid "t-" #~ msgstr "t-" #~ msgid "q-" #~ msgstr "q-" #~ msgid "B3LYP" #~ msgstr "B3LYP" #~ msgid "B3LYPg" #~ msgstr "B3LYPg" #~ msgid "B3P86" #~ msgstr "B3P86" #~ msgid "B3P86g" #~ msgstr "B3P86g" #~ msgid "B3PW91" #~ msgstr "B3PW91" #~ msgid "B1LYP" #~ msgstr "B1LYP" #~ msgid "B1PW91" #~ msgstr "B1PW91" #~ msgid "BHandH" #~ msgstr "BHandH" #~ msgid "BHandHLYP" #~ msgstr "BHandHLYP" #~ msgid "B86VWN" #~ msgstr "B86VWN" #~ msgid "B86LYP" #~ msgstr "B86LYP" #~ msgid "B86P86" #~ msgstr "B86P86" #~ msgid "B86PW91" #~ msgstr "B86PW91" #~ msgid "BVWN" #~ msgstr "BVWN" #~ msgid "BLYP" #~ msgstr "BLYP" #~ msgid "BP86" #~ msgstr "BP86" #~ msgid "BPW91" #~ msgstr "BPW91" #~ msgid "BW" #~ msgstr "BW" #~ msgid "BFW" #~ msgstr "BFW" #~ msgid "CAMB3LYP" #~ msgstr "CAMB3LYP" #~ msgid "DBLYP" #~ msgstr "DBLYP" #~ msgid "DBP86" #~ msgstr "DBP86" #~ msgid "DBPW91" #~ msgstr "DBPW91" #~ msgid "EDF1" #~ msgstr "EDF1" #~ msgid "EDF2" #~ msgstr "EDF2" #~ msgid "G96VWN" #~ msgstr "G96VWN" #~ msgid "G96LYP" #~ msgstr "G96LYP" #~ msgid "G96P86" #~ msgstr "G96P86" #~ msgid "G96PW91" #~ msgstr "G96PW91" #~ msgid "G961LYP" #~ msgstr "G961LYP" #~ msgid "KMLYP" #~ msgstr "KMLYP" #~ msgid "KT1" #~ msgstr "KT1" #~ msgid "KT2" #~ msgstr "KT2" #~ msgid "KT3" #~ msgstr "KT3" #~ msgid "LG1LYP" #~ msgstr "LG1LYP" #~ msgid "OVWN" #~ msgstr "OVWN" #~ msgid "OLYP" #~ msgstr "OLYP" #~ msgid "OP86" #~ msgstr "OP86" #~ msgid "OPW91" #~ msgstr "OPW91" #~ msgid "mPWVWN" #~ msgstr "mPWVWN" #~ msgid "mPWLYP" #~ msgstr "mPWLYP" #~ msgid "mPWP86" #~ msgstr "mPWP86" #~ msgid "mPWPW91" #~ msgstr "mPWPW91" #~ msgid "mPW91" #~ msgstr "mPW91" #~ msgid "mPW1PW91" #~ msgstr "mPW1PW91" #~ msgid "mPW3PW91" #~ msgstr "mPW3PW91" #~ msgid "mPW1K" #~ msgstr "mPW1K" #~ msgid "mPW1N" #~ msgstr "mPW1N" #~ msgid "mPW1S" #~ msgstr "mPW1S" #~ msgid "PBE0" #~ msgstr "PBE0" #~ msgid "PBE0PBE" #~ msgstr "PBE0PBE" #~ msgid "PBE1PBE" #~ msgstr "PBE1PBE" #~ msgid "PBEPBE" #~ msgstr "PBEPBE" #~ msgid "RPBE" #~ msgstr "RPBE" #~ msgid "revPBE" #~ msgstr "revPBE" #~ msgid "mPBE" #~ msgstr "mPBE" #~ msgid "PW91" #~ msgstr "PW91" #~ msgid "PW91VWN" #~ msgstr "PW91VWN" #~ msgid "PW91LYP" #~ msgstr "PW91LYP" #~ msgid "PW91P86" #~ msgstr "PW91P86" #~ msgid "PW91PW91" #~ msgstr "PW91PW91" #~ msgid "SVWN3" #~ msgstr "SVWN3" #~ msgid "SVWN5" #~ msgstr "SVWN5" #~ msgid "XLYP" #~ msgstr "XLYP" #~ msgid "X3LYP" #~ msgstr "X3LYP" #~ msgid "1.0D-" #~ msgstr "1.0D-" #~ msgid "Grid Specification" #~ msgstr "Grid 規格" #~ msgid "Partitioning Scheme:" #~ msgstr "分割圖:" #~ msgid "Becke" #~ msgstr "Becke" #~ msgid "Becke (original)" #~ msgstr "Becke (原始的)" #~ msgid "SSF" #~ msgstr "SSF" #~ msgid "Grid Quality:" #~ msgstr "Grid 品質" #~ msgid "coarse" #~ msgstr "粗糙的" #~ msgid "normal" #~ msgstr "一般" #~ msgid "fine" #~ msgstr "精細" #~ msgid "ultrafine" #~ msgstr "極精細" #~ msgid "Radial Scheme:" #~ msgstr "放射狀圖:" #~ msgid "LMG" #~ msgstr "LMG" #~ msgid "GC2" #~ msgstr "GC2" #~ msgid "Show all functionals" #~ msgstr "顯示所有的作用" #~ msgid "Property:" #~ msgstr "性質" #~ msgid "Polarizability" #~ msgstr "極化性" #~ msgid "Frequency Dependent" #~ msgstr "頻率相依性" #~ msgid "No. excitations:" #~ msgstr "激發數:" #~ msgid "EFP Matches" #~ msgstr "EFP Matches" #~ msgid "Group Label:" #~ msgstr "Group Label:" #~ msgid "AM1" #~ msgstr "AM1" #~ msgid "PM3" #~ msgstr "PM3" #~ msgid "CCSD(T)" #~ msgstr "CCSD(T)" #~ msgid "MINI" #~ msgstr "MINI" #~ msgid "6-31G(d)" #~ msgstr "6-31G(d)" #~ msgid "6-31G(d,p)" #~ msgstr "6-31G(d,p)" #~ msgid "6-31+G(d,p)" #~ msgstr "6-31+G(d,p)" #~ msgid "6-31+G(2d,p)" #~ msgstr "6-31+G(2d,p)" #~ msgid "6-311++G(2d,p)" #~ msgstr "6-311++G(2d,p)" #~ msgid "&Advanced Setup" #~ msgstr "進階設定" #~ msgid "Hessian" #~ msgstr "Hessian" #~ msgid "Stat Point" #~ msgstr "Stat Point" #~ msgid "System" #~ msgstr "系統" #~ msgid "MO Guess" #~ msgstr "MO Guess" #~ msgid "Misc" #~ msgstr "其他" #~ msgid "#D Heavy Atom Polarization Functions:" #~ msgstr "#D 重原子極化函數:" #~ msgid "Read" #~ msgstr "讀取" #~ msgid "SBKJC" #~ msgstr "SBKJC" #~ msgid "Hay-Wadt" #~ msgstr "Hay-Wadt" #~ msgid "Diffuse S-Shell on Heavy Atoms" #~ msgstr "Diffuse S-Shell on Heavy Atoms" #~ msgid "Diffuse L-Shell on Heavy Atoms" #~ msgstr "Diffuse L-Shell on Heavy Atoms" #~ msgid "MIDI" #~ msgstr "MIDI" #~ msgid "STO-4G" #~ msgstr "STO-4G" #~ msgid "STO-5G" #~ msgstr "STO-5G" #~ msgid "6-21G" #~ msgstr "6-21G" #~ msgid "5-31G" #~ msgstr "5-31G" #~ msgid "Double Zeta Valence" #~ msgstr "Double Zeta Valence" #~ msgid "Dunning/Hay DZ" #~ msgstr "Dunning/Hay DZ" #~ msgid "Triple Zeta Valence" #~ msgstr "Triple Zeta Valence" #~ msgid "SBKJA Valence" #~ msgstr "SBKJA Valence" #~ msgid "Hay/Wadt Valence" #~ msgstr "Hay/Wadt Valence" #~ msgid "MNDO" #~ msgstr "MNDO" #~ msgid "ECP Type:" #~ msgstr "ECP 種類:" #~ msgid "Default" #~ msgstr "預設" #~ msgid "Pople" #~ msgstr "Pople" #~ msgid "Pople N311" #~ msgstr "Pople N311" #~ msgid "Huzinaga" #~ msgstr "Huzinaga" #~ msgid "Hondo7" #~ msgstr "Hondo7" #~ msgid "#F Heavy Atom Polarization Functions:" #~ msgstr "#F Heavy Atom Polarization Functions:" #~ msgid "#light Atom Polarization Functions:" #~ msgstr "#light Atom Polarization Functions:" #~ msgid "Polar:" #~ msgstr "Polar:" #~ msgid "Max SCF Iterations:" #~ msgstr "Max SCF Iterations:" #~ msgid "Gradient" #~ msgstr "Gradient" #~ msgid "Trudge" #~ msgstr "Trudge" #~ msgid "Saddle Point" #~ msgstr "鞍點" #~ msgid "IRC" #~ msgstr "IRC" #~ msgid "Gradient Extremal" #~ msgstr "Gradient Extremal" #~ msgid "DRC" #~ msgstr "DRC" #~ msgid "Morokuma" #~ msgstr "Morokuma" #~ msgid "Radiative Transition mom." #~ msgstr "放射過度 mom" #~ msgid "Spin Orbit" #~ msgstr "自旋軌道" #~ msgid "Finite Electric Field" #~ msgstr "有限電場" #~ msgid "TDHF" #~ msgstr "TDHF" #~ msgid "Global Optimization" #~ msgstr "全局最佳化" #~ msgid "VSCF" #~ msgstr "VSCF" #~ msgid "FMO Optimization" #~ msgstr "FMO 最佳化" #~ msgid "Raman Intensities" #~ msgstr "拉曼強度" #~ msgid "Make EFP" #~ msgstr "產生 EFP" #~ msgid "UHF" #~ msgstr "UHF" #~ msgid "ROHF" #~ msgstr "ROHF" #~ msgid "GVB" #~ msgstr "GVB" #~ msgid "MCSCF" #~ msgstr "MCSCF" #~ msgid "None (CI)" #~ msgstr "None (CI)" #~ msgid "Foster-Boys" #~ msgstr "Foster-Boys" #~ msgid "Edmistron-Ruedenberg" #~ msgstr "Edmistron-Ruedenberg" #~ msgid "Pipek-Mezey" #~ msgstr "Pipek-Mezey" #~ msgid "SCF Type:" #~ msgstr "SCF 種類:" #~ msgid "Localization Method:" #~ msgstr "Localization Method:" #~ msgid "Exec Type:" #~ msgstr "Exec 種類:" #~ msgid "CI:" #~ msgstr "CI:" #~ msgid "GUGA" #~ msgstr "GUGA" #~ msgid "Ames Lab. Determinant" #~ msgstr "Ames Lab. Determinant" #~ msgid "Occupation Restricted Multiple Active Space" #~ msgstr "Occupation Restricted Multiple Active Space" #~ msgid "CI Singles" #~ msgstr "CI Singles" #~ msgid "Full Second Order CI" #~ msgstr "Full Second Order CI" #~ msgid "General CI" #~ msgstr "General CI" #~ msgid "CC:" #~ msgstr "CC:" #~ msgid "LCCD: Linearized CC" #~ msgstr "LCCD: 線性化的 CC" #~ msgid "CCD: CC with Doubles" #~ msgstr "CCD: CC with Doubles" #~ msgid "CCSD: CC with Singles and Doubles" #~ msgstr "CCSD: CC with Singles and Doubles" #~ msgid "R-CC" #~ msgstr "R-CC" #~ msgid "CR-CC" #~ msgstr "CR-CC" #~ msgid "EOM-CCSD" #~ msgstr "EOM-CCSD" #~ msgid "CR-EOM" #~ msgstr "CR-EOM" #~ msgid "Normal Run" #~ msgstr "Normal Run" #~ msgid "Check" #~ msgstr "Check" #~ msgid "Debug" #~ msgstr "除錯" #~ msgid "Molecule Charge:" #~ msgstr "分子電荷:" #~ msgid "Run Type:" #~ msgstr "Run 種類:" #~ msgid "Use MP2" #~ msgstr "Use MP2" #~ msgid "Use DFT" #~ msgstr "Use DFT" #~ msgid "# of Z-Matrix Variables" #~ msgstr "# of Z-Matrix Variables" #~ msgid "Ǻngstrom" #~ msgstr "Ǻngstrom" #~ msgid "Order of Principal Axis:" #~ msgstr "Order of Principal Axis:" #~ msgid "Coordinate Type:" #~ msgstr "坐標軸種類:" #~ msgid "C1" #~ msgstr "C1" #~ msgid "CS" #~ msgstr "CS" #~ msgid "CI" #~ msgstr "CI" #~ msgid "CnH" #~ msgstr "CnH" #~ msgid "CnV" #~ msgstr "CnV" #~ msgid "Cn" #~ msgstr "Cn" #~ msgid "S2n" #~ msgstr "S2n" #~ msgid "DnD" #~ msgstr "DnD" #~ msgid "DnH" #~ msgstr "DnH" #~ msgid "Dn" #~ msgstr "Dn" #~ msgid "TD" #~ msgstr "TD" #~ msgid "TH" #~ msgstr "TH" #~ msgid "OH" #~ msgstr "OH" #~ msgid "O" #~ msgstr "O" #~ msgid "Unique cartesian Coords." #~ msgstr "Unique cartesian Coords." #~ msgid "Hilderbrant internals" #~ msgstr "Hilderbrant internals" #~ msgid "Use Symmetry During Calculation" #~ msgstr "Use Symmetry During Calculation" #~ msgid "Point Group:" #~ msgstr "Point Group:" #~ msgid "Minutes" #~ msgstr "分鐘" #~ msgid "Hours" #~ msgstr "小時" #~ msgid "Days" #~ msgstr "天" #~ msgid "Weeks" #~ msgstr "週" #~ msgid "Years" #~ msgstr "年" #~ msgid "Millenia" #~ msgstr "千年" #~ msgid "MegaWords" #~ msgstr "MegaWords" #~ msgid "MegaBytes" #~ msgstr "MegaBytes" #~ msgid "GigaWords" #~ msgstr "GigaWords" #~ msgid "GigaBytes" #~ msgstr "GigaBytes" #~ msgid "Force Parallel Methods" #~ msgstr "Force Parallel Methods" #~ msgid "Produce \"core\" file upon abort" #~ msgstr "Produce \"core\" file upon abort" #~ msgid "EVVRSP" #~ msgstr "EVVRSP" #~ msgid "GIVEIS" #~ msgstr "GIVEIS" #~ msgid "JACOBI" #~ msgstr "JACOBI" #~ msgid "MemDDI:" #~ msgstr "MemDDI:" #~ msgid "Memory:" #~ msgstr "記憶體：" #~ msgid "Diagonalization Method:" #~ msgstr "Diagonalization Method:" #~ msgid "Parallel Load Balance Type" #~ msgstr "Parallel Load Balance Type" #~ msgctxt "\"Loop\" load balancing - set static node assignments" #~ msgid "Loop" #~ msgstr "迴圈" #~ msgctxt "\"Next Value\" load balancing - dynamically assign nodes work" #~ msgid "Next Value" #~ msgstr "下一個值" #~ msgid "Use External Data Representation for Messages" #~ msgstr "Use External Data Representation for Messages" #~ msgid "Hückel" #~ msgstr "Hückel" #~ msgid "HCore" #~ msgstr "HCore" #~ msgid "MO Read ($VEC)" #~ msgstr "MO Read ($VEC)" #~ msgid "MO Saved (DICTNRY)" #~ msgstr "MO 已存檔 (DICTNRY)" #~ msgid "Skip" #~ msgstr "略過" #~ msgid "Rotate Alpha and Beta Orbitals" #~ msgstr "選轉 Alpha 及 Beta 軌域" #~ msgid "Print the Initial Guess" #~ msgstr "Print the Initial Guess" #~ msgid "GAMESS Interface to Other Codes" #~ msgstr "GAMESS Interface to Other Codes" #~ msgid "MolPlt" #~ msgstr "MolPlt" #~ msgid "PltOrb" #~ msgstr "PltOrb" #~ msgid "AIMPAC" #~ msgstr "AIMPAC" #~ msgid "RPAC" #~ msgstr "RPAC" #~ msgid "Force a Check Run Type" #~ msgstr "Force a Check Run Type" #~ msgid "Hondo 8.2" #~ msgstr "Hondo 8.2" #~ msgid "MELDF" #~ msgstr "MELDF" #~ msgid "GAMESS (UK Version)" #~ msgstr "GAMESS (英國版本)" #~ msgid "Solvate with Water" #~ msgstr "與進行溶媒合作用" #~ msgid "Generate UHF Natural Orbitals" #~ msgstr "產生 UHF 自然軌域" #~ msgid "Direct SCF" #~ msgstr "Direct SCF" #~ msgid "Compute Only Changed in Fock Matrix" #~ msgstr "Compute Only Changed in Fock Matrix" #~ msgid "Slater exchange" #~ msgstr "Slater exchange" #~ msgid "Becke 1988 exchange" #~ msgstr "Becke 1988 exchange" #~ msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgstr "VWN: Vosko-Wilk-Nusair (VWN5) correlation" #~ msgid "LYP: Lee-Yang-Parr correlation" #~ msgstr "LYP: Lee-Yang-Parr correlation" #~ msgid "SVWN: Slater exchange + VWN correlation" #~ msgstr "SVWN: Slater 交換 + VWN 相關性" #~ msgid "BVWN: BECKE exchange + VWN5 correlation" #~ msgstr "BVWN: BECKE exchange + VWN5 correlation" #~ msgid "BLYP: BECKE exchange + LYP correlation" #~ msgstr "BLYP: BECKE exchange + LYP correlation" #~ msgid "Gill 1996 exchange" #~ msgstr "Gill 1996 exchange" #~ msgid "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgstr "Perdew-Burke-Ernzerhof (PBE) exchange" #~ msgid "OP: One-parameter Progressive correlation" #~ msgstr "OP: One-parameter Progressive correlation" #~ msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgstr "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation" #~ msgid "SOP: SLATER + OP correlation" #~ msgstr "SOP: SLATER + OP correlation" #~ msgid "BOP: BECKE exchange + OP correlation" #~ msgstr "BOP: BECKE exchange + OP correlation" #~ msgid "BVWN: GILL exchange + VWN5 correlation" #~ msgstr "BVWN: GILL exchange + VWN5 correlation" #~ msgid "GLYP: GILL exchange + LYP correlation" #~ msgstr "GLYP: GILL exchange + LYP correlation" #~ msgid "PBEVWN: PBE exchange + VWN6 correlation" #~ msgstr "PBEVWN: PBE exchange + VWN6 correlation" #~ msgid "PBELYP: PBE exchange +LYP correlation" #~ msgstr "PBELYP: PBE exchange +LYP correlation" #~ msgid "PBEOP: PBE exchange + OP correlation" #~ msgstr "PBEOP: PBE exchange + OP correlation" #~ msgid "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgstr "BHHLYP: HF and BECKE exchange + LYP correlation" #~ msgid "Grid-Free" #~ msgstr "Grid-Free" #~ msgid "AO Integral Storage" #~ msgstr "AO Integral Storage" #~ msgid "Duplicated on Each Node" #~ msgstr "Duplicated on Each Node" #~ msgid "Distributed Across All Nodes" #~ msgstr "Distributed Across All Nodes" #~ msgid "words" #~ msgstr "words" #~ msgid "Compute MP2 Properties" #~ msgstr "計算 MP2 的特性" #~ msgid "Integral Retention Cutoff:" #~ msgstr "Integral Retention Cutoff:" #~ msgid "Use Localized Orbitals" #~ msgstr "使用定域軌域" #~ msgid "# of Core Electrons:" #~ msgstr "內層電子數:" #~ msgid "Two Phase Bin Sort" #~ msgstr "Two Phase Bin Sort" #~ msgid "Segmented Transformation" #~ msgstr "Segmented Transformation" #~ msgid "Numeric" #~ msgstr "數字" #~ msgid "Double Differenced Hessian" #~ msgstr "Double Differenced Hessian" #~ msgid "Print Internal Force Constants" #~ msgstr "Print Internal Force Constants" #~ msgid "Displacement Size:" #~ msgstr "置換大小" #~ msgid "Purify Hessian" #~ msgstr "Purify Hessian" #~ msgid "bohrs" #~ msgstr "bohrs" #~ msgid "Initial Hessian" #~ msgstr "Initial Hessian" #~ msgid "Guess (+ define)" #~ msgstr "Guess (+ define)" #~ msgid "Read (from $HESS)" #~ msgstr "Read (from $HESS)" #~ msgid "Update Step Size" #~ msgstr "Update Step Size" #~ msgid "Print Orbs at Each Iteration" #~ msgstr "Print Orbs at Each Iteration" #~ msgid "Stationary Point" #~ msgstr "Stationary Point" #~ msgid "Initial:" #~ msgstr "Initial:" #~ msgid "Newton-Raphson" #~ msgstr "Newton-Raphson" #~ msgid "Rational Function Optimization" #~ msgstr "Rational Function Optimization" #~ msgid "Quadratic Approximation" #~ msgstr "二次逼近" #~ msgid "Schlegel (quasi-NR)" #~ msgstr "Schlegel (quasi-NR)" #~ msgid "Constrained Optimization" #~ msgstr "Constrained Optimization" #~ msgid "Recalculate Hessian Every:" #~ msgstr "Recalculate Hessian Every:" #~ msgid "Follow Mode:" #~ msgstr "Follow Mode:" #~ msgid "GAMESS-UK Input" #~ msgstr "GAMESS-UK 輸入" #~ msgid "GAMESS-UK input generated by Avogadro" #~ msgstr "由 Avogadro 產生 GAMESS-UK 輸入" #~ msgid "Transition State Search" #~ msgstr "過渡狀態搜尋" #~ msgid "Basis:" #~ msgstr "基礎:" #~ msgid "SVWN" #~ msgstr "SVWN" #~ msgid "B97" #~ msgstr "B97" #~ msgid "HCTH" #~ msgstr "HCTH" #~ msgid "FT97" #~ msgstr "FT97" #~ msgid "Z-matrix" #~ msgstr "Z-matrix" #~ msgid "Gaussian Input" #~ msgstr "輸入 Gaussian" #~ msgid "LANL2DZ" #~ msgstr "LANL2DZ" #~ msgid "Standard" #~ msgstr "標準" #~ msgid "Molden" #~ msgstr "Molden" #~ msgid "Molekel" #~ msgstr "Molekel" #~ msgid "Checkpoint:" #~ msgstr "檢查點:" #~ msgid "Z-matrix (compact)" #~ msgstr "Z-matrix (簡潔的)" #~ msgid "MOLPRO Input" #~ msgstr "MOLPRO 輸入" #~ msgid "6-31+G(d)" #~ msgstr "6-31+G(d)" #~ msgid "6-311G(d)" #~ msgstr "6-311G(d)" #~ msgid "AUG-cc-pVDZ" #~ msgstr "AUG-cc-pVDZ" #~ msgid "AUG-cc-pVTZ" #~ msgstr "AUG-cc-pVTZ" #~ msgid "Molpro Version:" #~ msgstr "Molpro 版本:" #~ msgid "< 2009.1" #~ msgstr "< 2009.1" #~ msgid "2009.1" #~ msgstr "2009.1" #~ msgid "Quartet" #~ msgstr "Quartet 四重" #~ msgid "Quintet" #~ msgstr "Quintet 五重" #~ msgid "MNDO-d" #~ msgstr "MNDO-d" #~ msgid "PM6" #~ msgstr "PM6" #~ msgid "RM1" #~ msgstr "RM1" #~ msgid "NWChem Input" #~ msgstr "NWChem 輸入" #~ msgid "Q-Chem Input" #~ msgstr "Q-Chem 輸入" #~ msgid "B3LYP5" #~ msgstr "B3LYP5" #~ msgid "M06-2X" #~ msgstr "M06-2X" #~ msgid "LACVP" #~ msgstr "LACVP" #~ msgid "Load Shaders" #~ msgstr "載入 Shaders (幕後工程師)" #~ msgid "Shader Name:" #~ msgstr "Shader 名稱:" #~ msgid "Vertex Shader:" #~ msgstr "Vertex Shader (頂點著色器):" #~ msgid "Fragment Shader:" #~ msgstr "片段 Shader:" #~ msgid "Assign Shader" #~ msgstr "指定 Shader" #~ msgid "Display Type:" #~ msgstr "展示種類:" #~ msgid "Font:" #~ msgstr "字形:" #~ msgid "Change Font..." #~ msgstr "改變字形:" #~ msgid "New..." #~ msgstr "新增..." #~ msgid "Rename..." #~ msgstr "重新命名..." #~ msgid "&Schemes:" #~ msgstr "方案:" #~ msgid "&DPI:" #~ msgstr "DPI:" #~ msgid "&Width:" #~ msgstr "寬度:" #~ msgid "&Height" #~ msgstr "高" #~ msgid "cm" #~ msgstr "cm" #~ msgid "mm" #~ msgstr "mm" #~ msgid "in" #~ msgstr "in" #~ msgid "" #~ "Use an optimized value for the font size instead of the scheme-specified " #~ "value (screen to image point sizes don't translate well!)" #~ msgstr "將字形大小最適化, 以取代特定值" #~ msgid "Auto-adjust F&ont Size" #~ msgstr "自動調整字型大小" #~ msgid "Spectra Tab" #~ msgstr "光譜標記" #~ msgid "&Gaussian Width:" #~ msgstr "Gaussian 寬度:" #~ msgid "&Label peaks" #~ msgstr "標示 peaks (訊號峰)" #~ msgid "Rotatory Strength type:" #~ msgstr "Rotatory Strength 種類:" #~ msgid "Energy units:" #~ msgstr "能量單位:" #~ msgid "Density units" #~ msgstr "密度單位" #~ msgid "Fermi Energy: " #~ msgstr "費米能: " #~ msgid "States / Cell" #~ msgstr "狀態 / 晶格" #~ msgid "States / Atom" #~ msgstr "狀態 / 原子" #~ msgid "States / Valence electron" #~ msgstr "狀態 / 價電子" #~ msgid "Fermi energy at zero" #~ msgstr "費米能為零" #~ msgid "Scale integrated DOS" #~ msgstr "Scale integrated DOS" #~ msgid "Show integrated DOS" #~ msgstr "顯示 integrated DOS" #~ msgid "tab_IR_Raman" #~ msgstr "tab_IR_Raman" #~ msgid "&Y Axis Units:" #~ msgstr "Y 軸單位:" #~ msgid "Scaling Type:" #~ msgstr "縮放種類:" #~ msgid "Relative" #~ msgstr "相對" #~ msgid "Laser Wavenumber:" #~ msgstr "雷射波數:" #~ msgid " cm⁻¹" #~ msgstr " cm⁻¹" #~ msgid "tab_NMR" #~ msgstr "tab_NMR" #~ msgid "Gaussian &Width:" #~ msgstr "Gaussian 寬度:" #~ msgid "Reset &Plot Axes" #~ msgstr "重設圖形的軸" #~ msgid "Label Peaks:" #~ msgstr "標示 peaks:" #~ msgid "ppm" #~ msgstr "ppm" #~ msgid "Molecular Vibrations" #~ msgstr "分子振動" #~ msgid "km/mol" #~ msgstr "km/mol" #~ msgid "ν (cm⁻¹)" #~ msgstr "ν (cm⁻¹)" #~ msgid "I (km/mol)" #~ msgstr "I (km/mol)" #~ msgid "Activity (A^4/amu)" #~ msgstr "活性 (A^4/amu)" #~ msgid "&Show Spectra..." #~ msgstr "顯示光譜..." #~ msgid "higher frequency vibrations will show faster movement" #~ msgstr "較高的頻率將呈現較快的活動" #~ msgid "Animation speed set by frequency" #~ msgstr "依頻率設定動畫速度" #~ msgid "Display force &vectors" #~ msgstr "顯示力與向量" #~ msgid "&Normalize displacements" #~ msgstr "位移標準化" #~ msgid "&Recalculate All" #~ msgstr "全部重新計算" #~ msgid "Default &Quality:" #~ msgstr "預設品質：" #~ msgid "Show occupied orbitals first" #~ msgstr "優先顯示已填入的軌域" #~ msgid "Surface Type:" #~ msgstr "Surface 種類:" #~ msgctxt "low resolution" #~ msgid "Low" #~ msgstr "低" #~ msgctxt "medium resolution" #~ msgid "Medium" #~ msgstr "中" #~ msgctxt "high resolution" #~ msgid "High" #~ msgstr "高" #~ msgctxt "very high resolution" #~ msgid "Very High" #~ msgstr "極高" #~ msgid "Isosurface cutoff value" #~ msgstr "Isosurface cutoff value (等曲面截斷值)" #~ msgctxt "" #~ "Add the new surface to this particular display type (i.e., orbital or " #~ "surface)" #~ msgid "In Display Type:" #~ msgstr "顯示的種類" #~ msgid "New Display" #~ msgstr "新的顯示" #~ msgid "Advanced..." #~ msgstr "進階..." #~ msgid "Display visual cues" #~ msgstr "顯示視覺提示" #~ msgid "Python Settings" #~ msgstr "Python 設定" #~ msgid "Z Matrix Editor" #~ msgstr "Z Matrix 編輯器" avogadrolibs-1.100.0/pyproject.toml000066400000000000000000000002741474375334400172620ustar00rootroot00000000000000[build-system] requires = ["setuptools>=40.8.0", "wheel", "scikit-build", "pybind11", "ninja"] build-backend = "setuptools.build_meta:__legacy__" [tool.cibuildwheel] build-verbosity = "1" avogadrolibs-1.100.0/python/000077500000000000000000000000001474375334400156645ustar00rootroot00000000000000avogadrolibs-1.100.0/python/CMakeLists.txt000066400000000000000000000037161474375334400204330ustar00rootroot00000000000000cmake_minimum_required(VERSION 3.3 FATAL_ERROR) if (NOT TARGET Avogadro::Core) find_package(AvogadroLibs REQUIRED) endif() find_package(Python COMPONENTS Interpreter Development) set(PYBIND11_PYTHON_VERSION "3" CACHE STRING "") set(PYBIND11_CPP_STANDARD "-std=c++17" CACHE STRING "") find_package(pybind11 REQUIRED) set(wrapper_SRCS main.cpp core.cpp io.cpp ) set(_python_module_install_dir "avogadro") # SKBUILD is set for binary wheel if (NOT SKBUILD) set(_python_module_install_dir "${Python_SITEARCH}/avogadro") endif() set(CMAKE_MODULE_LINKER_FLAGS "") # Core pybind11_add_module(avogadrocorepython core.cpp) set_target_properties(avogadrocorepython PROPERTIES OUTPUT_NAME core) target_link_libraries(avogadrocorepython PRIVATE Avogadro::Core pybind11::module ) install(TARGETS avogadrocorepython LIBRARY COMPONENT python DESTINATION "${_python_module_install_dir}") # IO pybind11_add_module(avogadroiopython io.cpp) set_target_properties(avogadroiopython PROPERTIES OUTPUT_NAME io) target_link_libraries(avogadroiopython PRIVATE Avogadro::IO Avogadro::QuantumIO pybind11::module ) install(TARGETS avogadroiopython LIBRARY COMPONENT python DESTINATION "${_python_module_install_dir}") # Set the RPATH so the dependent libraries can be found in the wheel. if(APPLE) set(_rpath_value "@loader_path") elseif(UNIX) set(_rpath_value "$ORIGIN") endif() if (NOT WIN32) set_target_properties(avogadrocorepython avogadroiopython PROPERTIES INSTALL_RPATH ${_rpath_value}) endif() # Install the python files. FILE(GLOB PY_SRCS "avogadro/*.py") install(FILES ${PY_SRCS} COMPONENT python DESTINATION "${_python_module_install_dir}") # Set the output directory so the python modules can be used from the build # tree. set_target_properties(avogadrocorepython avogadroiopython PROPERTIES ARCHIVE_OUTPUT_DIRECTORY "${CMAKE_BINARY_DIR}/lib/avogadro" LIBRARY_OUTPUT_DIRECTORY "${CMAKE_BINARY_DIR}/lib/avogadro" ) avogadrolibs-1.100.0/python/avogadro/000077500000000000000000000000001474375334400174665ustar00rootroot00000000000000avogadrolibs-1.100.0/python/avogadro/__init__.py000066400000000000000000000001161474375334400215750ustar00rootroot00000000000000from . import cjson from . import connect from . import core from . import io avogadrolibs-1.100.0/python/avogadro/cjson.py000066400000000000000000000066151474375334400211640ustar00rootroot00000000000000""" /****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-clause BSD License, (the "License"). ******************************************************************************/ """ import json class cjson: """ This class is intended to read and write cjson (chemical json) files and help manipulate them (e.g., change coordinates, elements, etc.) The cjson format is a JSON format for chemical information. It is intended to be a common exchange and storage format for chemical information that is both human and machine readable. It is intended to be easily extended to support new features and data types. More information and the schema can be found at: https://github.com/OpenChemistry/chemicaljson """ def __init__(self): pass def __from_cjson(self, filePath): """Use to read cjson formats by converting them to python dictionaries""" with open(filePath, "r") as cjsonFile: py_dict_data = json.load(cjsonFile) return py_dict_data def __to_cjson(self, cjson_dict_file): """It converts python dictionaries to cjson format""" cjsonData = json.dumps(cjson_dict_file, indent=4) return cjsonData def get_atoms_coords(self, filePath): """ It helps to get the co-ordinates of individual elements/atoms in the format [ x co-ordinate y co-ordinate z co-ordinate Atomic Number of Element ] """ data = self.__from_cjson(filePath) coords = data["atoms"]["coords"]["3d"] elements = data["atoms"]["elements"]["number"] element_coords = [ (*coords[i * 3 : (i + 1) * 3], elements[i]) for i in range(0, int(len(coords) / 3)) ] cjson_dict = {"element-coordinates": element_coords} return self.__to_cjson(cjson_dict) def get_elements(self, filePath): """ returns all the elements present in cjson file """ data = self.__from_cjson(filePath) elements = data["atoms"]["elements"]["number"] return elements def get_coordinates(self, filePath): """ returns the coordinate array """ data = self.__from_cjson(filePath) coords = data["atoms"]["coords"]["3d"] return coords def set_atoms_coordinates(self, filePath, coords_array): """ it updates the coordinates array in cjson file """ data = self.__from_cjson(filePath) data["atoms"]["coords"]["3d"] = coords_array return self.__to_cjson(data) def set_elements(self, filePath, elements_array): """ It sets all the elements present in the cjson file where elements are set/recognized by their atomic numbers """ data = self.__from_cjson(filePath) data["atoms"]["elements"]["number"] = elements_array return self.__to_cjson(data) def set_coordinates(self, filePath, coords_array): """ It helps to set all coordinates of the cjson file where coordinates of all elements can be changed by an input array of coords_array """ data = self.__from_cjson(filePath) data["atoms"]["coords"]["3d"] = coords_array return self.__to_cjson(data) avogadrolibs-1.100.0/python/avogadro/connect.py000077500000000000000000000057341474375334400215050ustar00rootroot00000000000000""" /****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-clause BSD License, (the "License"). ******************************************************************************/ """ import json import os import socket import struct import sys import tempfile class connect: """ Send JSON-RPC requests to Avogadro through a named pipe. This class is intended to be used by external scripts that are run on the same machine as Avogadro. The named pipe is created by Avogadro and is named "avogadro". If it does not exist, Avogadro is not running. """ def __init__(self, name="avogadro"): """ Connect to the local named pipe :param name: The name of the named pipe. """ # create socket and connect try: if os.name == "nt": self.sock = open("//./pipe/" + name, "w+b", 0) else: self.sock.connect(tempfile.gettempdir() + "/" + name) self.sock = socket.socket(socket.AF_UNIX, socket.SOCK_STREAM) except Exception as exception: print("error while connecting: " + str(exception)) print("Is Avogadro running?") def __json(self, method, params={}): """ Send a JSON-RPC request to the named pipe. :param method: The JSON-RPC request method. Send a message to the named pipe :param file: file corresponding to method. """ if method == "receive_message": size = 1024 if os.name == "nt": packet = self.sock.read(size) else: packet = self.sock.recv(size) try: return json.loads(str(packet[4:])) except Exception as exception: print("error: " + str(exception)) return {} else: msg = { "jsonrpc": "2.0", "id": 0, "method": method, "params": params, } json_msg = json.dumps(msg) size = len(json_msg) header = struct.pack(">I", size) packet = header + json_msg.encode("ascii") if os.name == "nt": self.sock.write(packet) self.sock.seek(0) else: self.sock.send(packet) def open_file(self, file): """Opens file""" # param: file is filename input by the user in string method = "openFile" params = {"filename": file} self.__json(method, params) self.__json("receive_message") def save_graphic(self, file): """Save Graphic""" method = "saveGraphic" params = {"filename": file} self.__json(method, params) self.__json("receive_message") def close(self): """Close the socket to the named pipe""" self.sock.close() avogadrolibs-1.100.0/python/core.cpp000066400000000000000000000143511474375334400173240ustar00rootroot00000000000000#include #include #include #include #include #include #include namespace py = pybind11; using namespace Avogadro; using namespace Avogadro::Core; PYBIND11_MODULE(core, m) { m.doc() = "AvogadroCore Python binding"; using atomBase = AtomTemplate; py::class_(m, "atomBase"); py::class_(m, "Atom") .def_property_readonly("index", &Atom::index, "Index in the molecule") .def_property("atomic_number", &Atom::atomicNumber, &Atom::setAtomicNumber, "The atomic number") .def_property("position", &Atom::position3d, &Atom::setPosition3d, "The 3D position of the atom") .def_property("formal_charge", &Atom::formalCharge, &Atom::setFormalCharge, "The formal charge of the atom") .def_property("is_selected", &Atom::selected, &Atom::setSelected, "Whether the atom is selected") .def("is_valid", &Atom::isValid, "Check if the object is valid"); using bondBase = BondTemplate; py::class_(m, "bondBase"); py::class_(m, "Bond") .def_property_readonly("index", &Bond::index, "Index in the molecule") .def_property("order", &Bond::order, &Bond::setOrder, "The order of the bond (single = 1, double = 2, etc") .def("is_valid", &Bond::isValid, "Check if the object is valid") .def("atom1", &Bond::atom1, "The first atom") .def("atom2", &Bond::atom2, "The second atom"); bool (Cube::*setLimits0)(const Molecule&, float, float) = &Cube::setLimits; py::class_(m, "Cube").def( "set_limits", setLimits0, "Set the limits based on the molecule geometry"); Index (Molecule::*atomCount0)() const = &Molecule::atomCount; Index (Molecule::*atomCount1)(unsigned char) const = &Molecule::atomCount; Bond (Molecule::*addBond1)(Index, Index, unsigned char) = &Molecule::addBond; Bond (Molecule::*addBond2)(const Atom&, const Atom&, unsigned char) = &Molecule::addBond; Bond (Molecule::*bond0)(Index) const = &Molecule::bond; Bond (Molecule::*bond1)(const Atom&, const Atom&) const = &Molecule::bond; Bond (Molecule::*bond2)(Index, Index) const = &Molecule::bond; Cube* (Molecule::*cube0)(Index) = &Molecule::cube; py::class_(m, "UnitCell") .def(py::init<>()) .def_property_readonly("a", &UnitCell::a, "The a lattice parameter") .def_property_readonly("b", &UnitCell::b, "The b lattice parameter") .def_property_readonly("c", &UnitCell::c, "The c lattice parameter") .def_property_readonly("alpha", &UnitCell::alpha, "The alpha lattice parameter") .def_property_readonly("beta", &UnitCell::beta, "The beta lattice parameter") .def_property_readonly("gamma", &UnitCell::gamma, "The gamma lattice parameter") .def_property_readonly("volume", &UnitCell::volume, "The volume of the unit cell") .def("set_cell_parameters", &UnitCell::setCellParameters, "Set the unit cell parameters a b c alpha beta gamma") .def_property("cell_matrix", &UnitCell::cellMatrix, &UnitCell::setCellMatrix, "The unit cell vector matrix") .def("distance", &UnitCell::distance, "Calculate the distance between two points in the unit cell"); UnitCell* (Molecule::*unitCell0)() = &Molecule::unitCell; py::class_(m, "Molecule") .def(py::init<>()) .def("add_atom", static_cast(&Molecule::addAtom), "Add an atom") .def("atom_count", atomCount0, "The number of atoms") .def("atom_count", atomCount1, "The number of atoms with the supplied atomic number") .def("atom", &Molecule::atom, "The atom at the specified index") .def("add_bond", addBond1, "Add a new bond", py::arg("a1"), py::arg("a2"), py::arg("order") = 1) .def("add_bond", addBond2, "Add a new bond", py::arg("a1"), py::arg("a2"), py::arg("order") = 1) .def("bond_count", &Molecule::bondCount, "The number of bonds") .def("bond", bond0, "The bond at the specified index") .def("bond", bond1, "The bond between the specified atoms") .def("bond", bond2, "The bond between the specified atoms") .def("add_cube", &Molecule::addCube, py::return_value_policy::reference, "Add a new cube") .def("cube_count", &Molecule::cubeCount, "The number of cubes") .def("cube", cube0, "The cube at the specified index") .def_property_readonly("radius", &Molecule::radius, "The radius of the molecule") .def_property_readonly("center", &Molecule::centerOfGeometry, "The center of geometry of the molecule") .def_property_readonly("mass_center", &Molecule::centerOfMass, "The center of mass of the molecule") .def_property_readonly("unit_cell", unitCell0, "The unit cell of the molecule, if defined") .def("has_custom_elements", &Molecule::hasCustomElements, "Returns true if the molecule contains any custom elements") .def("formula", &Molecule::formula, "The chemical formula of the molecule", py::arg("delimiter") = "", py::arg("show_counts_over") = 1) .def("mass", &Molecule::mass, "The mass of the molecule"); bool (GaussianSetTools::*calculateMolecularOrbital0)(Cube&, int) const = &GaussianSetTools::calculateMolecularOrbital; bool (GaussianSetTools::*calculateElectronDensity0)(Cube&) const = &GaussianSetTools::calculateElectronDensity; bool (GaussianSetTools::*calculateSpinDensity0)(Cube&) const = &GaussianSetTools::calculateSpinDensity; py::class_(m, "GaussianSetTools") .def(py::init()) .def("calculate_molecular_orbital", calculateMolecularOrbital0, "Calculate the molecular orbital and set values in the cube") .def("calculate_electron_density", calculateElectronDensity0, "Calculate the electron density and set values in the cube") .def("calculate_spin_density", calculateSpinDensity0, "Calculate the spin density and set values in the cube"); } avogadrolibs-1.100.0/python/io.cpp000066400000000000000000000071541474375334400170060ustar00rootroot00000000000000#include #include #include #include #include #include #include #include #include #include #include #include namespace py = pybind11; using namespace Avogadro; using namespace Avogadro::Core; using namespace Avogadro::Io; using namespace Avogadro::QuantumIO; namespace { // Add a proxy class for Python that exposes the file format manager singleton. class ffm { public: ffm() : m_ffm(FileFormatManager::instance()) {} bool readFile(Core::Molecule& molecule, const std::string& fileName, const std::string& fileExtension = std::string(), const std::string& options = std::string()) const { return m_ffm.readFile(molecule, fileName, fileExtension, options); } bool writeFile(const Core::Molecule& molecule, const std::string& fileName, const std::string& fileExtension = std::string(), const std::string& options = std::string()) const { return m_ffm.writeFile(molecule, fileName, fileExtension, options); } bool readString(Core::Molecule& molecule, const std::string& string, const std::string& fileExtension, const std::string& options = std::string()) const { return m_ffm.readString(molecule, string, fileExtension, options); } std::string writeString(const Molecule& mol, const std::string& ext, const std::string& options = std::string()) { std::string fileStr; bool ok = m_ffm.writeString(mol, fileStr, ext, options); if (!ok) fileStr = "Error: " + FileFormatManager::instance().error(); return fileStr; } private: FileFormatManager& m_ffm; }; } // namespace PYBIND11_MODULE(io, m) { m.doc() = "AvogadroIo Python binding"; /// Add the quantum IO formats, we should probably move them over soon, but /// get things working for now... Io::FileFormatManager::registerFormat(new GAMESSUSOutput); Io::FileFormatManager::registerFormat(new GaussianFchk); Io::FileFormatManager::registerFormat(new GaussianCube); Io::FileFormatManager::registerFormat(new MoldenFile); Io::FileFormatManager::registerFormat(new MopacAux); Io::FileFormatManager::registerFormat(new NWChemJson); Io::FileFormatManager::registerFormat(new NWChemLog); Io::FileFormatManager::registerFormat(new ORCAOutput); /// This class uses a singleton pattern, make it accessible through Python. py::class_(m, "FileFormatManager") .def(py::init<>()) .def("read_file", &ffm::readFile, "Read in a molecule from the supplied file path", py::arg("molecule"), py::arg("file_name"), py::arg("file_extension") = std::string(), py::arg("options") = std::string()) .def("write_file", &ffm::writeFile, "Write the molecule to the supplied file path", py::arg("molecule"), py::arg("file_name"), py::arg("file_extension") = std::string(), py::arg("options") = std::string()) .def("read_string", &ffm::readString, "Read in a molecule from the supplied string", py::arg("molecule"), py::arg("string"), py::arg("file_extension"), py::arg("options") = std::string()) .def("write_string", &ffm::writeString, "Write a molecule to the supplied string", py::arg("mol"), py::arg("file_extension"), py::arg("options") = std::string()); } avogadrolibs-1.100.0/scripts/000077500000000000000000000000001474375334400160325ustar00rootroot00000000000000avogadrolibs-1.100.0/scripts/AppImage.sh000066400000000000000000000006361474375334400200560ustar00rootroot00000000000000#!/bin/bash # The purpose of this custom AppRun script is # to export Open Babel environment variables # before launching the application HERE="$(dirname "$(readlink -f "${0}")")" export LD_LIBRARY_PATH="${HERE}/usr/lib:${LD_LIBRARY_PATH}" export BABEL_DATADIR=$(readlink -f "${HERE}/usr/share/openbabel/*/") export BABEL_LIBDIR=$(readlink -f "${HERE}/usr/lib/openbabel/") exec "${HERE}/usr/bin/avogadro2" "$@"avogadrolibs-1.100.0/scripts/extract-messages.sh000077500000000000000000000061411474375334400216520ustar00rootroot00000000000000#!/bin/sh BASEDIR="avogadro/" # root of translatable sources PROJECT="avogadrolibs" # project name PACKAGE="Avogadro" # user-readable package name # user-readable version MAJORVERSION=`grep 'set(AvogadroLibs_VERSION_MAJOR' CMakeLists.txt | cut -f 2 -d '"'` MINORVERSION=`grep 'set(AvogadroLibs_VERSION_MINOR' CMakeLists.txt | cut -f 2 -d '"'` PATCHVERSION=`grep 'set(AvogadroLibs_VERSION_PATCH' CMakeLists.txt | cut -f 2 -d '"'` VERSION="${MAJORVERSION}.${MINORVERSION}.${PATCHVERSION}" BUGADDR="avogadro-devel@lists.sourceforge.net" # MSGID-Bugs WDIR=`pwd` # working dir I18NDIR="i18n/" # i18n dir echo "Preparing rc files" cd ${BASEDIR} # we use simple sorting to make sure the lines do not jump around too much from system to system find . -name '*.rc' -o -name '*.ui' -o -name '*.kcfg' | grep -v 'test' | grep -v 'example' | sort > ${WDIR}/rcfiles.list cat ${WDIR}/rcfiles.list | xargs ${WDIR}/scripts/extractrc.sh > ${WDIR}/rc.cpp # additional string for KAboutData echo 'i18nc("NAME OF TRANSLATORS","Your names");' >> ${WDIR}/rc.cpp echo 'i18nc("EMAIL OF TRANSLATORS","Your emails");' >> ${WDIR}/rc.cpp cd ${WDIR} echo "Done preparing rc files" echo "Extracting messages" cd ${BASEDIR} # see above on sorting find . -name '*.cpp' -o -name '*.h' -o -name '*.c' | grep -v 'test' | grep -v "example" | sort > ${WDIR}/infiles.list echo "rc.cpp" >> ${WDIR}/infiles.list cd ${WDIR} xgettext --from-code=UTF-8 -C -T --qt -kde -ci18n -ki18n:1 -ki18nc:1c,2 -ki18np:1,2 -ki18ncp:1c,2,3 -ktr2i18n:1 \ -kI18N_NOOP:1 -kI18N_NOOP2:1c,2 -kaliasLocale -kki18n:1 -kki18nc:1c,2 -kki18np:1,2 -kki18ncp:1c,2,3 \ -ktrUtf8:1,2c -ktr:1,1t -ktr:1,2c,2t -ktr:1,1,2c,3t -ktrUtf8:1 \ --package-name=${PACKAGE} --package-version=${VERSION} \ --msgid-bugs-address="${BUGADDR}" --foreign-user --copyright-holder="The Avogadro Project" \ --files-from=infiles.list -D ${BASEDIR} -D ${WDIR} -o ${PROJECT}.pot || { echo "error while calling xgettext. aborting."; exit 1; } echo "Done extracting messages" # Replace some boilerplate strings sed -e "s/SOME DESCRIPTIVE TITLE/Translations for the Avogadro molecular builder/" <${PROJECT}.pot >${PROJECT}.new mv ${PROJECT}.new ${PROJECT}.pot year=`date "+%Y"` sed -e "s/Copyright (C) YEAR/Copyright (C) 2006-$year/" <${PROJECT}.pot >${PROJECT}.new mv ${PROJECT}.new ${PROJECT}.pot sed -e 's/as the PACKAGE package/as the Avogadro package/' <${PROJECT}.pot >${PROJECT}.new mv ${PROJECT}.new ${PROJECT}.pot sed -e 's/^#. i18n: .\//#: /' <${PROJECT}.pot >${PROJECT}.new mv ${PROJECT}.new ${PROJECT}.pot sed -e '/^#: rc.cpp/ d' <${PROJECT}.pot >${PROJECT}.new mv ${PROJECT}.new ${PROJECT}.pot sed -e 's/rc\.cpp//' <${PROJECT}.pot >${PROJECT}.new mv ${PROJECT}.new ${PROJECT}.pot mv ${PROJECT}.pot ${I18NDIR} #cd ${I18NDIR} #echo "Merging translations" #catalogs=`find . -name '*.po'` #for cat in $catalogs; do # # remove any \r escapes # sed -e 's/\\r//' <$cat >$cat.new # mv $cat.new $cat # echo $cat # msgmerge -o $cat.new $cat ${PROJECT}.pot # mv $cat.new $cat # msgmerge -U $cat ${PROJECT}.pot #done #echo "Done merging translations" echo "Cleaning up" cd ${WDIR} rm rcfiles.list rm infiles.list rm rc.cpp echo "Done" avogadrolibs-1.100.0/scripts/extractrc.sh000077500000000000000000000314131474375334400203720ustar00rootroot00000000000000#! /usr/bin/env perl ### TODO: other copyrights, license? # Copyright (c) 2004 Richard Evans sub usage { warn <<"EOF"; extractrc [flags] filenames This script extracts messages from designer (.ui) and XMLGUI (.rc) files and writes on standard output (usually redirected to rc.cpp) the equivalent i18n() calls so that xgettext can parse them. --tag=name : Also extract the tag name(s). Repeat the flag to specify multiple names: --tag=tag_one --tag=tag_two --tag-group=group : Use a group of tags - uses 'default' if omitted. Valid groups are: @{[TAG_GROUPS()]} --context=name : Give i18n calls a context name: i18nc("name", ...) --lines : Include source line numbers in comments (deprecated, it is switched on by default now) --cstart=chars : Start of to-EOL style comments in output, defaults to // --language=lang : Create i18n calls appropriate for KDE bindings in the given language. Currently known languages: C++ (default), Python --ignore-no-input : Do not warn if there were no filenames specified --help|? : Display this summary EOF exit; } ########################################################################################### use strict; use warnings; use Getopt::Long; use Data::Dumper; use constant TAG_GROUP => { default => "[tT][eE][xX][tT]|title|string|whatsthis|tooltip|label", koffice => "Example|GroupName|Text|Comment|Syntax|TypeName", none => "", }; use constant TAG_GROUPS => join ", ", map "'$_'", sort keys %{&TAG_GROUP}; # Specification to extract nice element-context for strings. use constant ECTX_SPEC => { # Data structure: extension => {tag => [ctxlevel, [attribute, ...]], ...} # Order of attributes determines their order in the extracted comment. "ui" => { "widget" => [10, ["class", "name"]], "item" => [15, []], "property" => [20, ["name"]], "attribute" => [20, ["name"]], }, "rc" => { "Menu" => [10, ["name"]], "ToolBar" => [10, ["name"]], }, "kcfg" => { "group" => [10, ["name"]], "entry" => [20, ["name"]], "whatsthis" => [30, []], "tooltip" => [30, []], "label" => [30, []], }, }; # Specification to exclude strings by trailing section of element-context. use constant ECTX_EXCLUDE => [ # Data structure: [[tag, attribute, attrvalue], [...]] # Empty ("") attribute means all elements with given tag, # empty attrvalue means element with given tag and attribute of any value. [["widget", "class", "KFontComboBox"], ["item", "", ""], ["property", "", ""]], [["widget", "class", "KPushButton"], ["attribute", "name", "buttonGroup"]], [["widget", "class", "QRadioButton"], ["attribute", "name", "buttonGroup"]], ]; # The parts between the tags of the extensions will be copied # verbatim my %EXTENSION_VERBATIM_TAGS = ( "kcfg" => [ "code" ], ); # Add attribute lists as hashes, for membership checks. for my $ext ( keys %{&ECTX_SPEC} ) { for my $tag ( keys %{ECTX_SPEC->{$ext}} ) { my $arr = ECTX_SPEC->{$ext}{$tag}[1]; ECTX_SPEC->{$ext}{$tag}[2] = {map {$_ => 1} @{$arr}}; } } ########################################################################################### # Add options here as necessary - perldoc Getopt::Long for details on GetOptions GetOptions ( "tag=s" => \my @opt_extra_tags, "tag-group=s" => \my $opt_tag_group, "context=s" => \my $opt_context, # I18N context "lines" => \my $opt_lines, "cstart=s" => \my $opt_cstart, "language=s" => \my $opt_language, "ignore-no-input" => \my $opt_ignore_no_input, "help|?" => \&usage ); unless( @ARGV ) { warn "No filename specified" unless $opt_ignore_no_input; exit; } $opt_tag_group ||= "default"; die "Unknown tag group: '$opt_tag_group', should be one of " . TAG_GROUPS unless exists TAG_GROUP->{$opt_tag_group}; my $tags = TAG_GROUP->{$opt_tag_group}; my $extra_tags = join "", map "|" . quotemeta, @opt_extra_tags; my $text_string = qr/($tags$extra_tags)( [^>]*)?>/; # Precompile regexp my $cstart = $opt_cstart; # no default, selected by language if not given my $language = $opt_language || "C++"; my $ectx_known_exts = join "|", keys %{&ECTX_SPEC}; ########################################################################################### # Escape characters in string exactly like uic does. sub escape_like_uic ($) { my $text = shift; $text =~ s/<//g; $text =~ s/&/&/g; $text =~ s/"/"/g; $text =~ s/\\/\\\\/g; # escape \ $text =~ s/\"/\\\"/g; # escape " $text =~ s/\r//g; # remove CR (Carriage Return) $text =~ s/\n/\\n\"\n\"/g; # escape LF (Line Feed). uic also change the code line at a LF, we do not do that. return $text; } ########################################################################################### sub dummy_call_infix { my ($cstart, $stend, $ctxt, $text, @cmnts) = @_; for my $cmnt (@cmnts) { print qq|$cstart $cmnt\n|; } if (defined $text) { $text = escape_like_uic($text); if (defined $ctxt) { $ctxt = escape_like_uic($ctxt); print qq|i18nc("$ctxt", "$text")$stend\n|; } else { print qq|i18n("$text")$stend\n|; } } } my %dummy_calls = ( "C++" => sub { dummy_call_infix($cstart || "//", ";", @_); }, "Python" => sub { dummy_call_infix($cstart || "#", "", @_); }, ); die "unknown language '$language'" if not defined $dummy_calls{$language}; my $dummy_call = $dummy_calls{$language}; # Program start proper - NB $. is the current line number for my $file_name ( @ARGV ) { my $fh; unless ( open $fh, "<", $file_name ) { # warn "Failed to open: '$file_name': $!"; next; } # Ready element-context extraction. my $ectx_ext; my $ectx_string; if ( $file_name =~ /\.($ectx_known_exts)(\.(in|cmake))?$/ ) { $ectx_ext = $1; my $ectx_tag_gr = join "|", keys %{ECTX_SPEC->{$ectx_ext}}; $ectx_string = qr/($ectx_tag_gr)( [^>]*)?>/; # precompile regexp } my $string = ""; my $in_text = 0; my $start_line_no = 0; my $in_skipped_prop = 0; my $tag = ""; my $attr = ""; my $context = ""; my $notr = ""; # Element-context data: [[level, tag, [[attribute, value], ...]], ...] # such that subarrays are ordered increasing by level. my @ectx = (); # All comments to pending dummy call. my @comments = (); while ( <$fh> ) { last if $. == 1 and $_ !~ /^(?:{$ectx_ext}{$tag} ) { my @atts; for my $ectx_att ( @{ECTX_SPEC->{$ectx_ext}{$tag}[1]} ) { if ( $attr and $attr =~ /\b$ectx_att\s*=\s*(["'])([^"']*?)\1/ ) { my $aval = $2; push @atts, [$ectx_att, $aval]; } } # Kill all tags in element-context with level higher or equal to this, # and add it to the end. my $clevel = ECTX_SPEC->{$ectx_ext}{$tag}[0]; for ( my $i = 0; $i < @ectx; ++$i ) { if ( $clevel <= $ectx[$i][0] ) { @ectx = @ectx[0 .. ($i - 1)]; last; } } push @ectx, [$clevel, $tag, [@atts]]; } if ( ($tag, $attr) = $string =~ /<$text_string/o ) { my ($attr_comment) = $attr =~ /\w*comment=\"([^\"]*)\"/ if $attr; $context = $attr_comment if $attr_comment; my ($attr_context) = $attr =~ /\w*context=\"([^\"]*)\"/ if $attr; $context = $attr_context if $attr_context; # It is unlikely that both attributes 'context' and 'comment' # will be present, but if so happens, 'context' has priority. my ($attr_notr) = $attr =~ /\bnotr=\"([^\"]*)\"/ if $attr; $notr = $attr_notr if $attr_notr; $string =~ s/^.*<$text_string//so; if ( not $attr or $attr !~ /\/ *$/ ) { $in_text = 1; $start_line_no = $.; } } else { $string = ""; } } next unless $in_text; next unless $string =~ /<\/$text_string/o; my $text = $string; $text =~ s/<\/$text_string.*$//o; if ( $text cmp "" ) { # See if the string should be excluded by trailing element-context. my $exclude_by_ectx = 0; my @rev_ectx = reverse @ectx; for my $ectx_tail (@{&ECTX_EXCLUDE}) { my @rev_ectx_tail = reverse @{$ectx_tail}; my $i = 0; $exclude_by_ectx = (@rev_ectx > 0 and @rev_ectx_tail > 0); while ($i < @rev_ectx and $i < @rev_ectx_tail) { my ($tag, $attr, $aval) = @{$rev_ectx_tail[$i]}; $exclude_by_ectx = (not $tag or ($tag eq $rev_ectx[$i][1])); if ($exclude_by_ectx and $attr) { $exclude_by_ectx = 0; for my $ectx_attr_aval (@{$rev_ectx[$i][2]}) { if ($attr eq $ectx_attr_aval->[0]) { $exclude_by_ectx = $aval ? $aval eq $ectx_attr_aval->[1] : 1; last; } } } last if not $exclude_by_ectx; ++$i; } last if $exclude_by_ectx; } if (($context and $context eq "KDE::DoNotExtract") or ($notr eq "true")) { push @comments, "Manually excluded message at $file_name line $."; } elsif ( $exclude_by_ectx ) { push @comments, "Automatically excluded message at $file_name line $."; } else { (my $norm_fname = $file_name) =~ s/^\.\///; push @comments, "i18n: file: $norm_fname:$."; if ( @ectx ) { # Format element-context. my @tag_gr; for my $tgr (reverse @ectx) { my @attr_gr; for my $agr ( @{$tgr->[2]} ) { #push @attr_gr, "$agr->[0]=$agr->[1]"; push @attr_gr, "$agr->[1]"; # no real need for attribute name } my $attr = join(", ", @attr_gr); push @tag_gr, "$tgr->[1] ($attr)" if $attr; push @tag_gr, "$tgr->[1]" if not $attr; } my $ectx_str = join ", ", @tag_gr; push @comments, "i18n: ectx: $ectx_str"; } push @comments, "xgettext: no-c-format" if $text =~ /%/o; $dummy_call->($context, $text, @comments); @comments = (); } } else { push @comments, "Skipped empty message at $file_name line $."; } $string =~ s/^.*<\/$text_string//o; $in_text = 0; # Text can be multiline in .ui files (possibly), but we warn about it in XMLGUI .rc files. warn "there is floating in: '$file_name'" if $. != $start_line_no and $file_name =~ /\.rc$/i; } close $fh or warn "Failed to close: '$file_name': $!"; die "parsing error in $file_name" if $in_text; if ($ectx_ext && exists $EXTENSION_VERBATIM_TAGS{$ectx_ext}) { unless ( open $fh, "<", $file_name ) { # warn "Failed to open: '$file_name': $!"; next; } while ( <$fh> ) { chomp; $string .= "\n" . $_; foreach $tag (@{ $EXTENSION_VERBATIM_TAGS{$ectx_ext} }) { if ($string =~ /<$tag>(.*)<\/$tag>/s) { # Add comment before any line that has an i18n substring in it. my @matched = split /\n/, $1; my $mlno = $.; (my $norm_fname = $file_name) =~ s/^\.\///; for my $mline (@matched) { # Assume verbatim code is in language given by --language. # Therefore format only comment, and write code line as-is. if ($mline =~ /i18n/) { $dummy_call->(undef, undef, ("i18n: file: $norm_fname:$mlno")); } print "$mline\n"; ++$mlno; } $string = ""; } } } close $fh or warn "Failed to close: '$file_name': $!"; } } avogadrolibs-1.100.0/scripts/getresdata.py000066400000000000000000000130631474375334400205320ustar00rootroot00000000000000#!/usr/bin/env python from __future__ import print_function import os import sys import requests from openbabel import pybel from openbabel import openbabel as ob # TODO: process Open Babel resdata.txt # if we can find certain non-standard residues mdLigands = [ "ASH", # Neutral ASP "CYX", # SS-bonded CYS "CYM", # Negative CYS "GLH", # Neutral GLU "HIP", # Positive HIS "HID", # Neutral HIS, proton HD1 present "HIE", # Neutral HIS, proton HE2 present "LYN", # Neutral LYS "TYM", # Negative TYR ] # the location of the LigandExpo list by count ligandURL = "http://ligand-expo.rcsb.org/dictionaries/cc-counts.tdd" # URL for the ideal geometry # e.g http://ligand-expo.rcsb.org/reports/H/HEM/HEM_ideal.pdb sdfTemplate = "http://ligand-expo.rcsb.org/reports/{}/{}/{}_ideal.sdf" # URL for the ideal geometry (PDB) pdbTemplate = "http://ligand-expo.rcsb.org/reports/{}/{}/{}_ideal.pdb" # save ligands with at least this # of occurrences ligandThresh = 500 # default ligand list ligands = [ # amino acids "ALA", "CYS", "ASP", "GLU", "PHE", "GLY", "HIS", "ILE", "LYS", "LEU", "MET", "ASN", "PRO", "GLN", "ARG", "SER", "THR", "VAL", "TRP", "TYR", # DNA nucleic "DA", "DC", "DG", "DT", "DI", # RNA nucleic "A", "C", "G", "U", "I", # misc "HEM", "HOH" ] # okay, we build up the list of ligands to fetch r = requests.get(ligandURL, stream=True) for line in r.iter_lines(decode_unicode=True): if 'count' in str(line): continue # skip first line name, count = line.split() if (int(count) < ligandThresh): # too rare, we'll skip the rest of the list break if str(name) not in ligands: ligands.append(str(name)) print( ''' #ifndef AVOGADRO_CORE_RESIDUE_DATA #define AVOGADRO_CORE_RESIDUE_DATA #include #include #include namespace Avogadro { namespace Core { class ResidueData { private: std::string m_residueName; std::map m_residueAtomNames; std::vector> m_residueSingleBonds; std::vector> m_residueDoubleBonds; public: ResidueData() {} ResidueData(std::string name, std::map atomNames, std::vector> singleBonds, std::vector> doubleBonds) { m_residueName = name; m_residueAtomNames = atomNames; m_residueSingleBonds = singleBonds; m_residueDoubleBonds = doubleBonds; } ResidueData(const ResidueData& other) { m_residueName = other.m_residueName; m_residueAtomNames = other.m_residueAtomNames; m_residueSingleBonds = other.m_residueSingleBonds; m_residueDoubleBonds = other.m_residueDoubleBonds; } ResidueData& operator=(ResidueData other) { using std::swap; swap(*this, other); return *this; } std::map residueAtoms() { return m_residueAtomNames; } std::vector> residueSingleBonds() { return m_residueSingleBonds; } std::vector> residueDoubleBonds() { return m_residueDoubleBonds; } }; ''' ) final_ligands = [] for ligand in ligands: sdf = requests.get(sdfTemplate.format(ligand[0], ligand, ligand)) # there *must* be a way to do this from a requests buffer, but this works with open('temp.sdf', 'wb') as handle: for block in sdf.iter_content(1024): handle.write(block) try: mol_sdf = next(pybel.readfile("sdf", 'temp.sdf')) except StopIteration: continue if len(mol_sdf.atoms) < 2: continue final_ligands.append(ligand) pdb = requests.get(pdbTemplate.format(ligand[0], ligand, ligand)) with open('temp.pdb', 'wb') as handle: for block in pdb.iter_content(1024): handle.write(block) try: mol_pdb = next(pybel.readfile("pdb", 'temp.pdb')) except StopIteration: continue atom_map = {} for i in range(len(mol_sdf.atoms)): idx = mol_sdf.atoms[i].idx atom = mol_pdb.atoms[i].OBAtom res = atom.GetResidue() # build up a map between atom index and atom ID atom_map[idx] = res.GetAtomID(atom).strip().rstrip(), atom.GetAtomicNum() # go through bonds single_bonds = [] double_bonds = [] for bond in ob.OBMolBondIter(mol_sdf.OBMol): begin = bond.GetBeginAtomIdx() end = bond.GetEndAtomIdx() if bond.GetBondOrder() == 2: double_bonds.append((atom_map[begin][0], atom_map[end][0])) elif bond.GetBondOrder() == 1: single_bonds.append((atom_map[begin][0], atom_map[end][0])) # print out the residue data print('ResidueData %sData("%s",' % (ligand, ligand)) print('// Atoms') print('{') for atom in list(atom_map.values())[:-1]: print('{ "%s", %d },' % (atom[0], atom[1]), end='') print('{"%s", %d }' % (atom[0], atom[1])) print('},') print('// Single Bonds') print('{') for bond in single_bonds[:-1]: print('{ "%s", "%s" },' % bond, end='') print('{ "%s", "%s" }' % single_bonds[-1]) print('},') print('// Double Bonds') print('{') if len(double_bonds): for bond in double_bonds[:-1]: print('{ "%s", "%s" },' % bond, end='') print('{ "%s", "%s" }' % double_bonds[-1]) print('}') print(');') print('''std::map residueDict = {''') # print the list of ligands for ligand in final_ligands: print('{ "%s", %sData },' % (ligand, ligand)) print(''' }; } } #endif ''' ) os.remove("temp.sdf") os.remove('temp.pdb') avogadrolibs-1.100.0/scripts/github-actions/000077500000000000000000000000001474375334400207525ustar00rootroot00000000000000avogadrolibs-1.100.0/scripts/github-actions/filter_sarif.py000066400000000000000000000113211474375334400237730ustar00rootroot00000000000000#!/usr/bin/env python # -*- coding: utf-8 -*- # From https://github.com/zbazztian/filter-sarif/blob/master/filter_sarif.py # Some modifications by Geoffrey Hutchison import argparse import json import re from globber import match def match_path_and_rule(path, rule, patterns): result = True for sign, file_pattern, rule_pattern in patterns: if match(rule_pattern, rule) and match(file_pattern, path): result = sign return result def parse_pattern(line): sep_char = ":" esc_char = "\\" file_pattern = "" rule_pattern = "" seen_separator = False sign = True # inclusion or exclusion pattern? uline = line if line: if line[0] == "-": sign = False uline = line[1:] elif line[0] == "+": uline = line[1:] i = 0 while i < len(uline): char = uline[i] i = i + 1 if char == sep_char: if seen_separator: raise Exception( 'Invalid pattern: "' + line + '" Contains more than one separator!' ) seen_separator = True continue if char == esc_char: next_char = uline[i] if (i < len(uline)) else None if next_char in ["+", "-", esc_char, sep_char]: i = i + 1 char = next_char if seen_separator: rule_pattern = rule_pattern + char else: file_pattern = file_pattern + char if not rule_pattern: rule_pattern = "**" return sign, file_pattern, rule_pattern def filter_sarif(args): if args.split_lines: tmp = [] for pattern in args.patterns: tmp = tmp + re.split("\r?\n", pattern) args.patterns = tmp args.patterns = [parse_pattern(pattern) for pattern in args.patterns if pattern] print("Given patterns:") for sign, file_pattern, rule_pattern in args.patterns: sign_text = "positive" if sign else "negative" print(f"files: {file_pattern} rules: {rule_pattern} ({sign_text})") with open(args.input, "r", encoding="UTF-8") as file: sarif = json.load(file) for run in sarif.get("runs", []): if run.get("results", []): new_results = [] for result in run["results"]: if result.get("locations", []): new_locations = [] for location in result["locations"]: # TODO: The uri field is optional. We might have to fetch the # actual uri from "artifacts" via "index" # (https://github.com/microsoft/sarif-tutorials/blob/main/docs/2-Basics.md) uri = ( location.get("physicalLocation", {}) .get("artifactLocation", {}) .get("uri", None) ) # TODO: The ruleId field is optional and potentially ambiguous. # We might have to fetch the actual ruleId from the rule metadata # via the ruleIndex field. # (https://github.com/microsoft/sarif-tutorials/blob/main/docs/2-Basics.md) rule_id = result["ruleId"] if uri is None or match_path_and_rule( uri, rule_id, args.patterns ): new_locations.append(location) result["locations"] = new_locations if new_locations: new_results.append(result) else: # locations array doesn't exist or is empty, so we can't match on anything # therefore, we include the result in the output new_results.append(result) run["results"] = new_results with open(args.output, "w", encoding="UTF-8") as file: json.dump(sarif, file, indent=args.indent) def main(): parser = argparse.ArgumentParser(prog="filter-sarif") parser.add_argument("--input", help="Input SARIF file", required=True) parser.add_argument("--output", help="Output SARIF file", required=True) parser.add_argument( "--split-lines", default=False, action="store_true", help="Split given patterns on newlines.", ) parser.add_argument( "--indent", default=None, type=int, help="Indentation level for JSON output." ) parser.add_argument("patterns", help="Inclusion and exclusion patterns.", nargs="+") def print_usage(): print(parser.format_usage()) args = parser.parse_args() filter_sarif(args) if __name__ == "__main__": main() avogadrolibs-1.100.0/scripts/github-actions/install.sh000066400000000000000000000005741474375334400227620ustar00rootroot00000000000000#!/usr/bin/env bash set -ev if [[ $RUNNER_OS == "Windows" ]]; then git clone --recursive -b 3.4.0 --depth 1 https://gitlab.com/libeigen/eigen /c/eigen cd /c/eigen mkdir build cd build cmake .. -DCMAKE_INSTALL_PREFIX=/c/eigen-34 cmake --build . --target install elif [[ $RUNNER_OS == "macOS" ]]; then brew install eigen else ls -la fi avogadrolibs-1.100.0/scripts/github-actions/repair-linux.sh000066400000000000000000000005431474375334400237270ustar00rootroot00000000000000#!/usr/bin/env bash set -ev # CentOS 7 is EOL so mirror.centos.org is offline # https://serverfault.com/a/1161921 sed -i s/mirror.centos.org/vault.centos.org/g /etc/yum.repos.d/*.repo sed -i s/^#.*baseurl=http/baseurl=https/g /etc/yum.repos.d/*.repo sed -i s/^mirrorlist=http/#mirrorlist=https/g /etc/yum.repos.d/*.repo yum install -y git eigen3-devel avogadrolibs-1.100.0/scripts/github-actions/repair_command_linux.sh000066400000000000000000000012351474375334400255060ustar00rootroot00000000000000#!/usr/bin/env bash set -ev # FIXME: if the libraries are already inside the wheel, why do we have # to provide them to auditwheel again? It would be ideal if we could # avoid this script entirely. # We have to include the avogadro library in Linux's LD_LIBRARY_PATH, # or auditwheel won't work. These libraries are already in the wheel. WHEEL_DIR=/tmp/cibuildwheel/built_wheel WHEEL_PATH=$(find $WHEEL_DIR -name "*.whl" | xargs readlink -f) cd $WHEEL_DIR unzip $WHEEL_PATH LIBRARY_DIR=$WHEEL_DIR/avogadro export LD_LIBRARY_PATH=$LIBRARY_DIR:$LD_LIBRARY_PATH auditwheel repair -w /tmp/cibuildwheel/repaired_wheel $WHEEL_PATH rm -rf /tmp/cibuildwheel/built_wheel avogadrolibs-1.100.0/scripts/github-actions/simple_test.py000066400000000000000000000012111474375334400236470ustar00rootroot00000000000000import avogadro ethane_xyz = '''8 Ethane H 1.18508 -0.00384 0.98752 C 0.75162 -0.02244 -0.02084 H 1.16693 0.83301 -0.56931 H 1.11552 -0.93289 -0.51453 C -0.75159 0.02250 0.02089 H -1.16688 -0.83337 0.56870 H -1.11569 0.93261 0.51508 H -1.18499 0.00442 -0.98752 ''' def test_simple(): mol = avogadro.core.Molecule() manager = avogadro.io.FileFormatManager() assert mol.atom_count() == 0 assert manager.read_string(mol, ethane_xyz, 'xyz') assert mol.atom_count() == 8 assert mol.mass() == 30.06904 if __name__ == '__main__': test_simple() avogadrolibs-1.100.0/scripts/printSpgTransforms.py000077500000000000000000000217041474375334400223000ustar00rootroot00000000000000#!/usr/bin/env python3 # Written by Patrick Avery - 2017 # Description: Searches through Open Babel's space-groups.txt file for a list # of hall symbols and prints out the transforms of each hall symbol (in order) # in a C++-friendly format. You can then run clang-format on it to fix lines # longer than 80 characters. # To use: copy the Open Babel space-groups.txt to the current directory and # run this script. You can also uncomment out the block-commented section # if you also wish to look up hall symbols from Avogadro2's spacegroupdata.h # file. # Uncomment this next section to generate hall symbols from 'spacegroupdata.h' # located in avogadro/core if the current ones need updating """ import sys with open('spacegroupdata.h', 'r') as rf: spgData = rf.read().split('\n') hallSymbols = [] for i, line in enumerate(spgData): if 'space_group_hall_symbol' in line: while spgData[i].strip(): hallSymbols.append(spgData[i].split('"')[1].replace('=', '"')) i += 1 break for hallSymbol in hallSymbols: print(" '" + hallSymbol + "',") sys.exit() """ # These are cached hall symbols we use for Avogadro2 hallSymbols = [ \ '', 'P 1', '-P 1', 'P 2y', 'P 2', 'P 2x', 'P 2yb', 'P 2c', 'P 2xa', 'C 2y', 'A 2y', 'I 2y', 'A 2', 'B 2', 'I 2', 'B 2x', 'C 2x', 'I 2x', 'P -2y', 'P -2', 'P -2x', 'P -2yc', 'P -2yac', 'P -2ya', 'P -2a', 'P -2ab', 'P -2b', 'P -2xb', 'P -2xbc', 'P -2xc', 'C -2y', 'A -2y', 'I -2y', 'A -2', 'B -2', 'I -2', 'B -2x', 'C -2x', 'I -2x', 'C -2yc', 'A -2yac', 'I -2ya', 'A -2ya', 'C -2ybc', 'I -2yc', 'A -2a', 'B -2bc', 'I -2b', 'B -2b', 'A -2ac', 'I -2a', 'B -2xb', 'C -2xbc', 'I -2xc', 'C -2xc', 'B -2xbc', 'I -2xb', '-P 2y', '-P 2', '-P 2x', '-P 2yb', '-P 2c', '-P 2xa', '-C 2y', '-A 2y', '-I 2y', '-A 2', '-B 2', '-I 2', '-B 2x', '-C 2x', '-I 2x', '-P 2yc', '-P 2yac', '-P 2ya', '-P 2a', '-P 2ab', '-P 2b', '-P 2xb', '-P 2xbc', '-P 2xc', '-P 2ybc', '-P 2yn', '-P 2yab', '-P 2ac', '-P 2n', '-P 2bc', '-P 2xab', '-P 2xn', '-P 2xac', '-C 2yc', '-A 2yac', '-I 2ya', '-A 2ya', '-C 2ybc', '-I 2yc', '-A 2a', '-B 2bc', '-I 2b', '-B 2b', '-A 2ac', '-I 2a', '-B 2xb', '-C 2xbc', '-I 2xc', '-C 2xc', '-B 2xbc', '-I 2xb', 'P 2 2', 'P 2c 2', 'P 2a 2a', 'P 2 2b', 'P 2 2ab', 'P 2bc 2', 'P 2ac 2ac', 'P 2ac 2ab', 'C 2c 2', 'A 2a 2a', 'B 2 2b', 'C 2 2', 'A 2 2', 'B 2 2', 'F 2 2', 'I 2 2', 'I 2b 2c', 'P 2 -2', 'P -2 2', 'P -2 -2', 'P 2c -2', 'P 2c -2c', 'P -2a 2a', 'P -2 2a', 'P -2 -2b', 'P -2b -2', 'P 2 -2c', 'P -2a 2', 'P -2b -2b', 'P 2 -2a', 'P 2 -2b', 'P -2b 2', 'P -2c 2', 'P -2c -2c', 'P -2a -2a', 'P 2c -2ac', 'P 2c -2b', 'P -2b 2a', 'P -2ac 2a', 'P -2bc -2c', 'P -2a -2ab', 'P 2 -2bc', 'P 2 -2ac', 'P -2ac 2', 'P -2ab 2', 'P -2ab -2ab', 'P -2bc -2bc', 'P 2ac -2', 'P 2bc -2bc', 'P -2ab 2ab', 'P -2 2ac', 'P -2 -2bc', 'P -2ab -2', 'P 2 -2ab', 'P -2bc 2', 'P -2ac -2ac', 'P 2c -2n', 'P 2c -2ab', 'P -2bc 2a', 'P -2n 2a', 'P -2n -2ac', 'P -2ac -2n', 'P 2 -2n', 'P -2n 2', 'P -2n -2n', 'C 2 -2', 'A -2 2', 'B -2 -2', 'C 2c -2', 'C 2c -2c', 'A -2a 2a', 'A -2 2a', 'B -2 -2b', 'B -2b -2', 'C 2 -2c', 'A -2a 2', 'B -2b -2b', 'A 2 -2', 'B 2 -2', 'B -2 2', 'C -2 2', 'C -2 -2', 'A -2 -2', 'A 2 -2c', 'B 2 -2c', 'B -2c 2', 'C -2b 2', 'C -2b -2b', 'A -2c -2c', 'A 2 -2a', 'B 2 -2b', 'B -2b 2', 'C -2c 2', 'C -2c -2c', 'A -2a -2a', 'A 2 -2ac', 'B 2 -2bc', 'B -2bc 2', 'C -2bc 2', 'C -2bc -2bc', 'A -2ac -2ac', 'F 2 -2', 'F -2 2', 'F -2 -2', 'F 2 -2d', 'F -2d 2', 'F -2d -2d', 'I 2 -2', 'I -2 2', 'I -2 -2', 'I 2 -2c', 'I -2a 2', 'I -2b -2b', 'I 2 -2a', 'I 2 -2b', 'I -2b 2', 'I -2c 2', 'I -2c -2c', 'I -2a -2a', '-P 2 2', 'P 2 2 -1n', '-P 2ab 2bc', '-P 2 2c', '-P 2a 2', '-P 2b 2b', 'P 2 2 -1ab', '-P 2ab 2b', 'P 2 2 -1bc', '-P 2b 2bc', 'P 2 2 -1ac', '-P 2a 2c', '-P 2a 2a', '-P 2b 2', '-P 2 2b', '-P 2c 2c', '-P 2c 2', '-P 2 2a', '-P 2a 2bc', '-P 2b 2n', '-P 2n 2b', '-P 2ab 2c', '-P 2ab 2n', '-P 2n 2bc', '-P 2ac 2', '-P 2bc 2bc', '-P 2ab 2ab', '-P 2 2ac', '-P 2 2bc', '-P 2ab 2', '-P 2a 2ac', '-P 2b 2c', '-P 2a 2b', '-P 2ac 2c', '-P 2bc 2b', '-P 2b 2ab', '-P 2 2ab', '-P 2bc 2', '-P 2ac 2ac', '-P 2ab 2ac', '-P 2ac 2bc', '-P 2bc 2ab', '-P 2c 2b', '-P 2c 2ac', '-P 2ac 2a', '-P 2b 2a', '-P 2a 2ab', '-P 2bc 2c', '-P 2 2n', '-P 2n 2', '-P 2n 2n', 'P 2 2ab -1ab', '-P 2ab 2a', 'P 2bc 2 -1bc', '-P 2c 2bc', 'P 2ac 2ac -1ac', '-P 2c 2a', '-P 2n 2ab', '-P 2n 2c', '-P 2a 2n', '-P 2bc 2n', '-P 2ac 2b', '-P 2b 2ac', '-P 2ac 2ab', '-P 2bc 2ac', '-P 2ac 2n', '-P 2bc 2a', '-P 2c 2ab', '-P 2n 2ac', '-P 2n 2a', '-P 2c 2n', '-C 2c 2', '-C 2c 2c', '-A 2a 2a', '-A 2 2a', '-B 2 2b', '-B 2b 2', '-C 2bc 2', '-C 2bc 2bc', '-A 2ac 2ac', '-A 2 2ac', '-B 2 2bc', '-B 2bc 2', '-C 2 2', '-A 2 2', '-B 2 2', '-C 2 2c', '-A 2a 2', '-B 2b 2b', '-C 2b 2', '-C 2b 2b', '-A 2c 2c', '-A 2 2c', '-B 2 2c', '-B 2c 2', 'C 2 2 -1bc', '-C 2b 2bc', 'C 2 2 -1bc', '-C 2b 2c', 'A 2 2 -1ac', '-A 2a 2c', 'A 2 2 -1ac', '-A 2ac 2c', 'B 2 2 -1bc', '-B 2bc 2b', 'B 2 2 -1bc', '-B 2b 2bc', '-F 2 2', 'F 2 2 -1d', '-F 2uv 2vw', '-I 2 2', '-I 2 2c', '-I 2a 2', '-I 2b 2b', '-I 2b 2c', '-I 2a 2b', '-I 2b 2', '-I 2a 2a', '-I 2c 2c', '-I 2 2b', '-I 2 2a', '-I 2c 2', 'P 4', 'P 4w', 'P 4c', 'P 4cw', 'I 4', 'I 4bw', 'P -4', 'I -4', '-P 4', '-P 4c', 'P 4ab -1ab', '-P 4a', 'P 4n -1n', '-P 4bc', '-I 4', 'I 4bw -1bw', '-I 4ad', 'P 4 2', 'P 4ab 2ab', 'P 4w 2c', 'P 4abw 2nw', 'P 4c 2', 'P 4n 2n', 'P 4cw 2c', 'P 4nw 2abw', 'I 4 2', 'I 4bw 2bw', 'P 4 -2', 'P 4 -2ab', 'P 4c -2c', 'P 4n -2n', 'P 4 -2c', 'P 4 -2n', 'P 4c -2', 'P 4c -2ab', 'I 4 -2', 'I 4 -2c', 'I 4bw -2', 'I 4bw -2c', 'P -4 2', 'P -4 2c', 'P -4 2ab', 'P -4 2n', 'P -4 -2', 'P -4 -2c', 'P -4 -2ab', 'P -4 -2n', 'I -4 -2', 'I -4 -2c', 'I -4 2', 'I -4 2bw', '-P 4 2', '-P 4 2c', 'P 4 2 -1ab', '-P 4a 2b', 'P 4 2 -1n', '-P 4a 2bc', '-P 4 2ab', '-P 4 2n', 'P 4ab 2ab -1ab', '-P 4a 2a', 'P 4ab 2n -1ab', '-P 4a 2ac', '-P 4c 2', '-P 4c 2c', 'P 4n 2c -1n', '-P 4ac 2b', 'P 4n 2 -1n', '-P 4ac 2bc', '-P 4c 2ab', '-P 4n 2n', 'P 4n 2n -1n', '-P 4ac 2a', 'P 4n 2ab -1n', '-P 4ac 2ac', '-I 4 2', '-I 4 2c', 'I 4bw 2bw -1bw', '-I 4bd 2', 'I 4bw 2aw -1bw', '-I 4bd 2c', 'P 3', 'P 31', 'P 32', 'R 3', 'P 3*', '-P 3', '-R 3', '-P 3*', 'P 3 2', 'P 3 2"', 'P 31 2c (0 0 1)', 'P 31 2"', 'P 32 2c (0 0 -1)', 'P 32 2"', 'R 3 2"', 'P 3* 2', 'P 3 -2"', 'P 3 -2', 'P 3 -2"c', 'P 3 -2c', 'R 3 -2"', 'P 3* -2', 'R 3 -2"c', 'P 3* -2n', '-P 3 2', '-P 3 2c', '-P 3 2"', '-P 3 2"c', '-R 3 2"', '-P 3* 2', '-R 3 2"c', '-P 3* 2n', 'P 6', 'P 61', 'P 65', 'P 62', 'P 64', 'P 6c', 'P -6', '-P 6', '-P 6c', 'P 6 2', 'P 61 2 (0 0 -1)', 'P 65 2 (0 0 1)', 'P 62 2c (0 0 1)', 'P 64 2c (0 0 -1)', 'P 6c 2c', 'P 6 -2', 'P 6 -2c', 'P 6c -2', 'P 6c -2c', 'P -6 2', 'P -6c 2', 'P -6 -2', 'P -6c -2c', '-P 6 2', '-P 6 2c', '-P 6c 2', '-P 6c 2c', 'P 2 2 3', 'F 2 2 3', 'I 2 2 3', 'P 2ac 2ab 3', 'I 2b 2c 3', '-P 2 2 3', 'P 2 2 3 -1n', '-P 2ab 2bc 3', '-F 2 2 3', 'F 2 2 3 -1d', '-F 2uv 2vw 3', '-I 2 2 3', '-P 2ac 2ab 3', '-I 2b 2c 3', 'P 4 2 3', 'P 4n 2 3', 'F 4 2 3', 'F 4d 2 3', 'I 4 2 3', 'P 4acd 2ab 3', 'P 4bd 2ab 3', 'I 4bd 2c 3', 'P -4 2 3', 'F -4 2 3', 'I -4 2 3', 'P -4n 2 3', 'F -4c 2 3', 'I -4bd 2c 3', '-P 4 2 3', 'P 4 2 3 -1n', '-P 4a 2bc 3', '-P 4n 2 3', 'P 4n 2 3 -1n', '-P 4bc 2bc 3', '-F 4 2 3', '-F 4c 2 3', 'F 4d 2 3 -1d', '-F 4vw 2vw 3', 'F 4d 2 3 -1cd', '-F 4cvw 2vw 3', '-I 4 2 3', '-I 4bd 2c 3' ] # Open the space groups file from Open Babel with open('space-groups.txt', 'r') as rf: obSpgData = rf.read().split('\n') # Loop through the hall symbols and find each of them in the Open Babel data transforms = [] for i, symbol in enumerate(hallSymbols): transforms.append('not found') if i == 0: transforms[i] = '' continue for j, line in enumerate(obSpgData): if symbol.strip() == line.strip(): while 'x,y,z' not in obSpgData[j]: j += 1 string = '' while obSpgData[j]: string += (obSpgData[j] + ' ') j += 1 string = string[:-1] transforms[i] = string break if j == len(obSpgData) - 1: print("not found:", symbol) # Print them out for transform in transforms: string = ' "' + transform + '"' if transform is not transforms[-1]: string += ',' print(string) avogadrolibs-1.100.0/setup.py000066400000000000000000000054411474375334400160610ustar00rootroot00000000000000import os from skbuild import setup def extra_cmake_args(): # FIXME: this doesn't seem to work if we supply more than one argument. # I really am not sure why. env = os.getenv('EXTRA_CMAKE_ARGS') return env.split(';') if env else [] def wheel_args(): # Check if we are building wheels... env = os.getenv('GITHUB_WORKFLOW') args = [ '-DPYTHON_WHEEL_BUILD:BOOL=TRUE', ] return args if env == 'Build Wheels' else [] cmake_args = [ '-DUSE_SPGLIB:BOOL=FALSE', '-DUSE_OPENGL:BOOL=FALSE', '-DUSE_QT:BOOL=FALSE', '-DUSE_MMTF:BOOL=FALSE', '-DUSE_PYTHON:BOOL=TRUE', '-DUSE_HDF5:BOOL=FALSE', '-DUSE_LIBARCHIVE:BOOL=FALSE', '-DUSE_LIBMSYM:BOOL=FALSE', '-DINSTALL_RUNTIME_DIR:PATH=avogadro', '-DINSTALL_LIBRARY_DIR:PATH=avogadro', '-DINSTALL_ARCHIVE_DIR:PATH=avogadro', ] + extra_cmake_args() + wheel_args() # Add pybind11 if it is installed try: from pybind11 import get_cmake_dir except ImportError: pass else: cmake_args.append('-Dpybind11_DIR:PATH=' + get_cmake_dir()) with open('README.md') as f: long_description = f.read() setup( name='avogadro', use_scm_version=True, setup_requires=['setuptools_scm'], description='Avogadro provides analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.', long_description=long_description, long_description_content_type="text/markdown", author='Avogadro / OpenChemistry Developers', license='BSD', url='https://github.com/OpenChemistry/avogadrolibs', project_urls={ 'Documentation': 'https://two.avogadro.cc', 'Funding': 'https://github.com/sponsors/OpenChemistry', 'Source': 'https://github.com/OpenChemistry/avogadrolibs', 'Tracker': 'https://github.com/OpenChemistry/avogadrolibs/issues', 'Forum': 'https://discuss.avogadro.cc' }, classifiers=[ 'License :: OSI Approved :: BSD License', 'Programming Language :: Python', 'Programming Language :: C++', 'Development Status :: 4 - Beta', 'Development Status :: 5 - Production/Stable', 'Intended Audience :: Developers', 'Intended Audience :: Education', 'Intended Audience :: Science/Research', 'Topic :: Scientific/Engineering', 'Topic :: Scientific/Engineering :: Chemistry', 'Topic :: Scientific/Engineering :: Physics', 'Topic :: Scientific/Engineering :: Visualization', 'Topic :: Scientific/Engineering :: Information Analysis', 'Topic :: Software Development :: Libraries', 'Operating System :: Microsoft :: Windows', 'Operating System :: Unix', 'Operating System :: MacOS' ], packages=['avogadro'], cmake_args=cmake_args, ) avogadrolibs-1.100.0/tests/000077500000000000000000000000001474375334400155055ustar00rootroot00000000000000avogadrolibs-1.100.0/tests/CMakeLists.txt000066400000000000000000000025461474375334400202540ustar00rootroot00000000000000include_directories("${AvogadroLibs_BINARY_DIR}/avogadro/core") # find google test find_package(GTest REQUIRED) find_package(Eigen3 REQUIRED) find_package(Qt${QT_VERSION} COMPONENTS Widgets Network Concurrent REQUIRED) # Add both as "system headers" to avoid warnings generated by them with # compilers that support that notion. include_directories(SYSTEM ${GTEST_INCLUDE_DIRS} ${EIGEN3_INCLUDE_DIR}) include(CheckIncludeFileCXX) include(CheckCXXSymbolExists) check_include_file_cxx("gtest/gtest.h" HAVE_GTEST_HPP) if(HAVE_GTEST_HPP) check_cxx_symbol_exists(GTEST_HAS_PTHREAD "gtest/gtest.h" GTEST_HAS_PTHREAD) check_cxx_symbol_exists(GTEST_IS_THREADSAFE "gtest/gtest.h" GTEST_IS_THREADSAFE) endif() if(GTEST_HAS_PTHREAD) message(STATUS "GTest claims it has pthreads, we need to link to it.") find_package(Threads) set(EXTRA_LINK_LIB ${CMAKE_THREAD_LIBS_INIT}) else() set(EXTRA_LINK_LIB "") endif() find_path(AVOGADRO_DATA_ROOT .avogadro.data ${AvogadroLibs_SOURCE_DIR}/../avogadrodata $ENV{AVOGADRO_DATA_ROOT} DOC "The repository for data used for testing." ) mark_as_advanced(AVOGADRO_DATA_ROOT) # Add the tests for each module. add_subdirectory(core) add_subdirectory(io) if(USE_QT) add_subdirectory(qtgui) endif() if(USE_OPENGL) add_subdirectory(rendering) if(USE_QT AND USE_VTK AND TEST_QTGL) add_subdirectory(qtopengl) endif() endif() avogadrolibs-1.100.0/tests/core/000077500000000000000000000000001474375334400164355ustar00rootroot00000000000000avogadrolibs-1.100.0/tests/core/CMakeLists.txt000066400000000000000000000020241474375334400211730ustar00rootroot00000000000000# Specify the name of each test (the Test will be appended where needed). set(tests Array Atom AtomTyper BasisSet Bond CoordinateBlockGenerator CoordinateSet Cube Eigen Element Graph Mesh Molecule Mutex NeighborPerceiver RingPerceiver Spacegroup Utilities UnitCell Variant VariantMap ) # Build up the source file names. set(testSrcs "") foreach(TestName ${tests}) message(STATUS "Adding ${TestName} test.") string(TOLOWER ${TestName} testname) list(APPEND testSrcs ${testname}test.cpp) endforeach() message(STATUS "Test source files: ${testSrcs}") # Add a single executable for all of our tests. add_executable(AvogadroTests ${testSrcs}) target_link_libraries(AvogadroTests Avogadro::Core ${GTEST_BOTH_LIBRARIES} ${EXTRA_LINK_LIB}) # Now add all of the tests, using the gtest_filter argument so that only those # cases are run in each test invocation. foreach(TestName ${tests}) add_test(NAME "Core-${TestName}" COMMAND AvogadroTests "--gtest_filter=${TestName}Test.*") endforeach() avogadrolibs-1.100.0/tests/core/arraytest.cpp000066400000000000000000000045001474375334400211560ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include using Avogadro::Core::Array; TEST(ArrayTest, setSize) { Array array; EXPECT_EQ(array.size(), static_cast(0)); array.resize(2); EXPECT_EQ(array.size(), static_cast(2)); } TEST(ArrayTest, isEmpty) { Array array; EXPECT_TRUE(array.empty()); } TEST(ArrayTest, push_back) { Array array; array.push_back(6); EXPECT_EQ(array.size(), static_cast(1)); array.push_back(9); EXPECT_EQ(array.size(), static_cast(2)); } TEST(ArrayTest, clear) { Array array; array.push_back(6); EXPECT_EQ(array.size(), static_cast(1)); array.push_back(9); EXPECT_EQ(array.size(), static_cast(2)); array.clear(); EXPECT_EQ(array.size(), static_cast(0)); } TEST(ArrayTest, detach) { // Verify the data pointers match for the two arrays. Array array(5); Array array2 = array; EXPECT_EQ(array.constData(), array2.constData()); // After detaching the data pointers should differ. array2.detach(); EXPECT_NE(array.constData(), array2.constData()); } TEST(ArrayTest, implicitDetach) { Array array(5, 3); array[2] = 666; Array array2 = array; EXPECT_EQ(array.constData(), array2.constData()); EXPECT_EQ(array.at(0), 3); EXPECT_EQ(array2.at(0), 3); EXPECT_EQ(array.at(2), 666); EXPECT_EQ(array2.at(2), 666); // Now change some values, these should not be visible to the other instance. array[0] = 1; array2[2] = 42; EXPECT_NE(array.constData(), array2.constData()); EXPECT_EQ(array.at(0), 1); EXPECT_EQ(array2.at(0), 3); EXPECT_EQ(array.at(2), 666); EXPECT_EQ(array2.at(2), 42); } TEST(ArrayTest, operators) { Array a1; Array a2; for (int i = 0; i < 10; ++i) { a1.push_back(i); a2.push_back(i * 10); } Array a1c(a1); EXPECT_TRUE(a1 == a1c); EXPECT_TRUE(a1 != a2); EXPECT_TRUE(a1 < a2); EXPECT_TRUE(a1 <= a1c); EXPECT_TRUE(a2 > a1); EXPECT_TRUE(a1 >= a1c); using std::swap; swap(a1, a2); EXPECT_TRUE(a2 == a1c); } avogadrolibs-1.100.0/tests/core/atomtest.cpp000066400000000000000000000052551474375334400210100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include using Avogadro::Vector2; using Avogadro::Vector3; using Avogadro::Core::Atom; using Avogadro::Core::Molecule; TEST(AtomTest, setAtomicNumber) { Molecule molecule; Atom atom = molecule.addAtom(1); EXPECT_TRUE(atom.isValid()); EXPECT_EQ(atom.atomicNumber(), 1); // change the atom's atomic number atom.setAtomicNumber(6); EXPECT_EQ(atom.atomicNumber(), 6); } TEST(AtomTest, setAtomPosition2d) { Molecule molecule; Atom atom = molecule.addAtom(1); // Should return a zero vector if the position has not been set. EXPECT_EQ(atom.position2d().x(), 0.0); EXPECT_EQ(atom.position2d().y(), 0.0); // Now set the position and verify it was stored correctly. atom.setPosition2d(Vector2(0.5, 1.0)); EXPECT_EQ(atom.position2d().x(), 0.5); EXPECT_EQ(atom.position2d().y(), 1.0); // Try with a second atom, confirm no cross over with the first too. Atom atom2 = molecule.addAtom(6); atom2.setPosition2d(Vector2(0.42, 3.14)); EXPECT_EQ(atom.position2d().x(), 0.5); EXPECT_EQ(atom.position2d().y(), 1.0); EXPECT_EQ(atom2.position2d().x(), 0.42); EXPECT_EQ(atom2.position2d().y(), 3.14); } TEST(AtomTest, setAtomPosition3d) { Molecule molecule; Atom atom = molecule.addAtom(1); // Should return a zero vector if the position has not been set. EXPECT_EQ(atom.position3d().x(), 0.0); EXPECT_EQ(atom.position3d().y(), 0.0); EXPECT_EQ(atom.position3d().z(), 0.0); // Now set the position and verify it was stored correctly. atom.setPosition3d(Vector3(0.5, 1.0, 1.5)); EXPECT_EQ(atom.position3d().x(), 0.5); EXPECT_EQ(atom.position3d().y(), 1.0); EXPECT_EQ(atom.position3d().z(), 1.5); // Try with a second atom, confirm no cross over with the first too. Atom atom2 = molecule.addAtom(6); atom2.setPosition3d(Vector3(0.42, 3.14, 6.66)); EXPECT_EQ(atom.position3d().x(), 0.5); EXPECT_EQ(atom.position3d().y(), 1.0); EXPECT_EQ(atom.position3d().z(), 1.5); EXPECT_EQ(atom2.position3d().x(), 0.42); EXPECT_EQ(atom2.position3d().y(), 3.14); EXPECT_EQ(atom2.position3d().z(), 6.66); } TEST(AtomTest, operators) { Molecule molecule; Atom atom1 = molecule.addAtom(1); Atom atom2 = molecule.addAtom(2); EXPECT_TRUE(atom1 == molecule.atom(0)); EXPECT_FALSE(atom1 != molecule.atom(0)); EXPECT_TRUE(atom1 != molecule.atom(1)); EXPECT_FALSE(atom1 == molecule.atom(1)); EXPECT_TRUE(atom1 != atom2); } avogadrolibs-1.100.0/tests/core/atomtypertest.cpp000066400000000000000000000061301474375334400220650ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include #include using namespace Avogadro::Core; TEST(AtomTyper, singleAtomTyping) { Molecule molecule; Array ref; for (unsigned char i = 0; i < Elements::elementCount(); ++i) { molecule.addAtom(i); ref.push_back(Elements::mass(i)); } class MassTyper : public AtomTyper { public: MassTyper() : AtomTyper(nullptr) {} Array& typesRef() { return m_types; } protected: double type(const Atom& atom) { return Elements::mass(atom.atomicNumber()); } } typer; typer.setMolecule(&molecule); // Check that the single atom typing method works as expected for (Avogadro::Index i = 0; i < molecule.atomCount(); ++i) { EXPECT_EQ(ref[i], typer.atomType(molecule.atom(i))) << "run(Atom): Mismatch at index " << i; } // Verify that we haven't populated the internal array EXPECT_TRUE(typer.types().empty()); // Fill the internal array. typer.run(); Array output(typer.types()); // Verify the internal array ASSERT_EQ(ref.size(), output.size()); for (size_t i = 0; i < ref.size(); ++i) EXPECT_EQ(ref[i], output[i]) << "run(): Mismatch at index " << i; // Change a type and verify that we get the cached result from run(Atom). const double testVal = -192.34; typer.typesRef()[4] = testVal; EXPECT_EQ(testVal, typer.atomType(molecule.atom(4))) << "Failed getting cached result."; } TEST(AtomTyper, resetOnMoleculeChange) { Molecule molecule1; Molecule molecule2; molecule1.addAtom(1); molecule2.addAtom(1); NameAtomTyper typer(&molecule1); typer.run(); EXPECT_EQ(1, typer.types().size()); typer.setMolecule(&molecule2); EXPECT_EQ(0, typer.types().size()); } TEST(AtomTyper, nameAtomTyper) { Molecule molecule; Array ref; for (unsigned char i = 0; i < Elements::elementCount(); ++i) { molecule.addAtom(i); ref.push_back(Elements::name(i)); } NameAtomTyper typer(&molecule); typer.run(); Array output(typer.types()); ASSERT_EQ(ref.size(), output.size()); for (size_t i = 0; i < ref.size(); ++i) { EXPECT_EQ(ref[i], output[i]) << "Mismatch at index " << i; } } TEST(AtomTyper, symbolAtomTyper) { Molecule molecule; Array ref; for (unsigned char i = 0; i < Elements::elementCount(); ++i) { molecule.addAtom(i); ref.push_back(Elements::symbol(i)); } SymbolAtomTyper typer(&molecule); typer.run(); Array output(typer.types()); ASSERT_EQ(ref.size(), output.size()); for (size_t i = 0; i < ref.size(); ++i) EXPECT_EQ(ref[i], output[i]) << "Mismatch at index " << i; } avogadrolibs-1.100.0/tests/core/basissettest.cpp000066400000000000000000000021201474375334400216510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include using Avogadro::Core::BasisSet; using Avogadro::Core::SlaterSet; TEST(BasisSetTest, homo) { SlaterSet basis; basis.setElectronCount(2, BasisSet::Paired); EXPECT_EQ(basis.homo(), 1); // EXPECT_TRUE(basis.homo(basis.homo())); EXPECT_EQ(basis.lumo(), 2); // EXPECT_TRUE(basis.lumo(basis.lumo())); basis = SlaterSet(); basis.setElectronCount(2, BasisSet::Alpha); basis.setElectronCount(1, BasisSet::Beta); EXPECT_EQ(basis.homo(), 1); // EXPECT_TRUE(basis.homo(basis.homo())); // This is broken: the lumo could be either the // next alpha or the next beta depending on the // energetics of the system // EXPECT_EQ(basis.lumo(), 2); // EXPECT_TRUE(basis.lumo(basis.lumo())); } avogadrolibs-1.100.0/tests/core/bondtest.cpp000066400000000000000000000022221474375334400207610ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include using Avogadro::Core::Atom; using Avogadro::Core::Bond; using Avogadro::Core::Molecule; TEST(BondTest, setOrder) { Molecule molecule; Atom a = molecule.addAtom(1); Atom b = molecule.addAtom(1); Bond bond = molecule.addBond(a, b); EXPECT_EQ(bond.order(), 1); // change the bonds's order bond.setOrder(2); EXPECT_EQ(bond.order(), 2); } TEST(BondTest, operators) { Molecule molecule; Atom atom1 = molecule.addAtom(1); Atom atom2 = molecule.addAtom(2); Atom atom3 = molecule.addAtom(3); Bond bond1 = molecule.addBond(atom1, atom2, 1); Bond bond2 = molecule.addBond(atom2, atom3, 2); EXPECT_TRUE(bond1 == molecule.bond(0)); EXPECT_FALSE(bond1 != molecule.bond(0)); EXPECT_TRUE(bond1 != molecule.bond(1)); EXPECT_FALSE(bond1 == molecule.bond(1)); EXPECT_TRUE(bond1 != bond2); } avogadrolibs-1.100.0/tests/core/coordinateblockgeneratortest.cpp000066400000000000000000000447061474375334400251250ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include using Avogadro::Vector3; using Avogadro::Core::CoordinateBlockGenerator; using Avogadro::Core::Elements; using Avogadro::Core::Molecule; namespace { const std::string refCoordBlock("1 0 0.0 Xx Dummy 2.776264 " " 5.085929 7.395591 0 1 0 1\n" "2 1 1.0 H Hydrogen 3.219533 " " 5.739168 8.258798 0 1 0 1\n" "3 2 2.0 He Helium 3.662802 " " 6.392406 9.122004 0 1 0 1\n" "4 3 3.0 Li Lithium 4.106072 " " 7.045645 9.985210 0 1 0 1\n" "5 4 4.0 Be Beryllium 4.549341 " " 7.698883 10.848417 0 1 0 1\n" "6 5 5.0 B Boron 4.992610 " " 8.352122 11.711623 0 1 0 1\n" "7 6 6.0 C Carbon 5.435879 " " 9.005360 12.574829 0 1 0 1\n" "8 7 7.0 N Nitrogen 5.879148 " " 9.658599 13.438036 0 1 0 1\n" "9 8 8.0 O Oxygen 6.322417 " "10.311837 14.301242 0 1 0 1\n" "10 9 9.0 F Fluorine 6.765686 " "10.965076 15.164448 0 1 0 1\n" "11 10 10.0 Ne Neon 7.208955 " "11.618314 16.027655 0 1 0 1\n" "12 11 11.0 Na Sodium 7.652224 " "12.271553 16.890861 0 1 0 1\n" "13 12 12.0 Mg Magnesium 8.095493 " "12.924791 17.754067 0 1 0 1\n" "14 13 13.0 Al Aluminium 8.538762 " "13.578030 18.617274 0 1 0 1\n" "15 14 14.0 Si Silicon 8.982031 " "14.231268 19.480480 0 1 0 1\n" "16 15 15.0 P Phosphorus 9.425300 " "14.884506 20.343687 0 1 0 1\n" "17 16 16.0 S Sulfur 9.868570 " "15.537745 21.206893 0 1 0 1\n" "18 17 17.0 Cl Chlorine 10.311839 " "16.190983 22.070099 0 1 0 1\n" "19 18 18.0 Ar Argon 10.755108 " "16.844222 22.933306 0 1 0 1\n" "20 19 19.0 K Potassium 11.198377 " "17.497460 23.796512 0 1 0 1\n" "21 20 20.0 Ca Calcium 11.641646 " "18.150699 24.659718 0 1 0 1\n" "22 21 21.0 Sc Scandium 12.084915 " "18.803937 25.522925 0 1 0 1\n" "23 22 22.0 Ti Titanium 12.528184 " "19.457176 26.386131 0 1 0 1\n" "24 23 23.0 V Vanadium 12.971453 " "20.110414 27.249337 0 1 0 1\n" "25 24 24.0 Cr Chromium 13.414722 " "20.763653 28.112544 0 1 0 1\n" "26 25 25.0 Mn Manganese 13.857991 " "21.416891 28.975750 0 1 0 1\n" "27 26 26.0 Fe Iron 14.301260 " "22.070130 29.838956 0 1 0 1\n" "28 27 27.0 Co Cobalt 14.744529 " "22.723368 30.702163 0 1 0 1\n" "29 28 28.0 Ni Nickel 15.187799 " "23.376607 31.565369 0 1 0 1\n" "30 29 29.0 Cu Copper 15.631068 " "24.029845 32.428576 0 1 0 1\n" "31 30 30.0 Zn Zinc 16.074337 " "24.683084 33.291782 0 1 0 1\n" "32 31 31.0 Ga Gallium 16.517606 " "25.336322 34.154988 0 1 0 1\n" "33 32 32.0 Ge Germanium 16.960875 " "25.989561 35.018195 0 1 0 1\n" "34 33 33.0 As Arsenic 17.404144 " "26.642799 35.881401 0 1 0 1\n" "35 34 34.0 Se Selenium 17.847413 " "27.296038 36.744607 0 1 0 1\n" "36 35 35.0 Br Bromine 18.290682 " "27.949276 37.607814 0 1 0 1\n" "37 36 36.0 Kr Krypton 18.733951 " "28.602515 38.471020 0 1 0 1\n" "38 37 37.0 Rb Rubidium 19.177220 " "29.255753 39.334226 0 1 0 1\n" "39 38 38.0 Sr Strontium 19.620489 " "29.908992 40.197433 0 1 0 1\n" "40 39 39.0 Y Yttrium 20.063758 " "30.562230 41.060639 0 1 0 1\n" "41 40 40.0 Zr Zirconium 20.507027 " "31.215468 41.923845 0 1 0 1\n" "42 41 41.0 Nb Niobium 20.950297 " "31.868707 42.787052 0 1 0 1\n" "43 42 42.0 Mo Molybdenum 21.393566 " "32.521945 43.650258 0 1 0 1\n" "44 43 43.0 Tc Technetium 21.836835 " "33.175184 44.513465 0 1 0 1\n" "45 44 44.0 Ru Ruthenium 22.280104 " "33.828422 45.376671 0 1 0 1\n" "46 45 45.0 Rh Rhodium 22.723373 " "34.481661 46.239877 0 1 0 1\n" "47 46 46.0 Pd Palladium 23.166642 " "35.134899 47.103084 0 1 0 1\n" "48 47 47.0 Ag Silver 23.609911 " "35.788138 47.966290 0 1 0 1\n" "49 48 48.0 Cd Cadmium 24.053180 " "36.441376 48.829496 0 1 0 1\n" "50 49 49.0 In Indium 24.496449 " "37.094615 49.692703 0 1 0 1\n" "51 50 50.0 Sn Tin 24.939718 " "37.747853 50.555909 0 1 0 1\n" "52 51 51.0 Sb Antimony 25.382987 " "38.401092 51.419115 0 1 0 1\n" "53 52 52.0 Te Tellurium 25.826256 " "39.054330 52.282322 0 1 0 1\n" "54 53 53.0 I Iodine 26.269525 " "39.707569 53.145528 0 1 0 1\n" "55 54 54.0 Xe Xenon 26.712795 " "40.360807 54.008734 0 1 0 1\n" "56 55 55.0 Cs Caesium 27.156064 " "41.014046 54.871941 0 1 0 1\n" "57 56 56.0 Ba Barium 27.599333 " "41.667284 55.735147 0 1 0 1\n" "58 57 57.0 La Lanthanum 28.042602 " "42.320523 56.598354 0 1 0 1\n" "59 58 58.0 Ce Cerium 28.485871 " "42.973761 57.461560 0 1 0 1\n" "60 59 59.0 Pr Praseodymium 28.929140 " "43.627000 58.324766 0 1 0 1\n" "61 60 60.0 Nd Neodymium 29.372409 " "44.280238 59.187973 0 1 0 1\n" "62 61 61.0 Pm Promethium 29.815678 " "44.933477 60.051179 0 1 0 1\n" "63 62 62.0 Sm Samarium 30.258947 " "45.586715 60.914385 0 1 0 1\n" "64 63 63.0 Eu Europium 30.702216 " "46.239954 61.777592 0 1 0 1\n" "65 64 64.0 Gd Gadolinium 31.145485 " "46.893192 62.640798 0 1 0 1\n" "66 65 65.0 Tb Terbium 31.588754 " "47.546430 63.504004 0 1 0 1\n" "67 66 66.0 Dy Dysprosium 32.032023 " "48.199669 64.367211 0 1 0 1\n" "68 67 67.0 Ho Holmium 32.475293 " "48.852907 65.230417 0 1 0 1\n" "69 68 68.0 Er Erbium 32.918562 " "49.506146 66.093623 0 1 0 1\n" "70 69 69.0 Tm Thulium 33.361831 " "50.159384 66.956830 0 1 0 1\n" "71 70 70.0 Yb Ytterbium 33.805100 " "50.812623 67.820036 0 1 0 1\n" "72 71 71.0 Lu Lutetium 34.248369 " "51.465861 68.683242 0 1 0 1\n" "73 72 72.0 Hf Hafnium 34.691638 " "52.119100 69.546449 0 1 0 1\n" "74 73 73.0 Ta Tantalum 35.134907 " "52.772338 70.409655 0 1 0 1\n" "75 74 74.0 W Tungsten 35.578176 " "53.425577 71.272862 0 1 0 1\n" "76 75 75.0 Re Rhenium 36.021445 " "54.078815 72.136068 0 1 0 1\n" "77 76 76.0 Os Osmium 36.464714 " "54.732054 72.999274 0 1 0 1\n" "78 77 77.0 Ir Iridium 36.907983 " "55.385292 73.862481 0 1 0 1\n" "79 78 78.0 Pt Platinum 37.351252 " "56.038531 74.725687 0 1 0 1\n" "80 79 79.0 Au Gold 37.794522 " "56.691769 75.588893 0 1 0 1\n" "81 80 80.0 Hg Mercury 38.237791 " "57.345008 76.452100 0 1 0 1\n" "82 81 81.0 Tl Thallium 38.681060 " "57.998246 77.315306 0 1 0 1\n" "83 82 82.0 Pb Lead 39.124329 " "58.651485 78.178512 0 1 0 1\n" "84 83 83.0 Bi Bismuth 39.567598 " "59.304723 79.041719 0 1 0 1\n" "85 84 84.0 Po Polonium 40.010867 " "59.957962 79.904925 0 1 0 1\n" "86 85 85.0 At Astatine 40.454136 " "60.611200 80.768131 0 1 0 1\n" "87 86 86.0 Rn Radon 40.897405 " "61.264439 81.631338 0 1 0 1\n" "88 87 87.0 Fr Francium 41.340674 " "61.917677 82.494544 0 1 0 1\n" "89 88 88.0 Ra Radium 41.783943 " "62.570916 83.357751 0 1 0 1\n" "90 89 89.0 Ac Actinium 42.227212 " "63.224154 84.220957 0 1 0 1\n" "91 90 90.0 Th Thorium 42.670481 " "63.877392 85.084163 0 1 0 1\n" "92 91 91.0 Pa Protactinium 43.113750 " "64.530631 85.947370 0 1 0 1\n" "93 92 92.0 U Uranium 43.557020 " "65.183869 86.810576 0 1 0 1\n" "94 93 93.0 Np Neptunium 44.000289 " "65.837108 87.673782 0 1 0 1\n" "95 94 94.0 Pu Plutonium 44.443558 " "66.490346 88.536989 0 1 0 1\n" "96 95 95.0 Am Americium 44.886827 " "67.143585 89.400195 0 1 0 1\n" "97 96 96.0 Cm Curium 45.330096 " "67.796823 90.263401 0 1 0 1\n" "98 97 97.0 Bk Berkelium 45.773365 " "68.450062 91.126608 0 1 0 1\n" "99 98 98.0 Cf Californium 46.216634 " "69.103300 91.989814 0 1 0 1\n" "100 99 99.0 Es Einsteinium 46.659903 " "69.756539 92.853020 0 1 0 1\n" "101 100 100.0 Fm Fermium 47.103172 " "70.409777 93.716227 0 1 0 1\n" "102 101 101.0 Md Mendelevium 47.546441 " "71.063016 94.579433 0 1 0 1\n" "103 102 102.0 No Nobelium 47.989710 " "71.716254 95.442640 0 1 0 1\n" "104 103 103.0 Lr Lawrencium 48.432979 " "72.369493 96.305846 0 1 0 1\n" "105 104 104.0 Rf Rutherfordium 48.876248 " "73.022731 97.169052 0 1 0 1\n" "106 105 105.0 Db Dubnium 49.319518 " "73.675970 98.032259 0 1 0 1\n" "107 106 106.0 Sg Seaborgium 49.762787 " "74.329208 98.895465 0 1 0 1\n" "108 107 107.0 Bh Bohrium 50.206056 " "74.982447 99.758671 0 1 0 1\n" "109 108 108.0 Hs Hassium 50.649325 " "75.635685 100.621878 0 1 0 1\n" "110 109 109.0 Mt Meitnerium 51.092594 " "76.288924 101.485084 0 1 0 1\n" "111 110 110.0 Ds Darmstadtium 51.535863 " "76.942162 102.348290 0 1 0 1\n" "112 111 111.0 Rg Roentgenium 51.979132 " "77.595401 103.211497 0 1 0 1\n" "113 112 112.0 Cn Copernicium 52.422401 " "78.248639 104.074703 0 1 0 1\n" "114 113 113.0 Nh Nihonium 52.865670 " "78.901878 104.937909 0 1 0 1\n" "115 114 114.0 Fl Flerovium 53.308939 " "79.555116 105.801116 0 1 0 1\n" "116 115 115.0 Mc Moscovium 53.752208 " "80.208354 106.664322 0 1 0 1\n" "117 116 116.0 Lv Livermorium 54.195477 " "80.861593 107.527529 0 1 0 1\n" "118 117 117.0 Ts Tennessine 54.638747 " "81.514831 108.390735 0 1 0 1\n" "119 118 118.0 Og Oganesson 55.082016 " "82.168070 109.253941 0 1 0 1\n"); } // namespace TEST(CoordinateBlockGeneratorTest, generateCoordinateBlock) { Molecule molecule; Vector3 pos(1.23456789, 2.34567891, 3.456789123); Vector3 inc(0.23456789, 0.34567891, 0.456789123); for (unsigned char i = 0; i < Elements::elementCount(); ++i) molecule.addAtom(i).setPosition3d(pos += inc); CoordinateBlockGenerator gen; gen.setMolecule(&molecule); gen.setDistanceUnit(CoordinateBlockGenerator::Bohr); gen.setSpecification("#ZGSNxyz01__01"); EXPECT_EQ(refCoordBlock, gen.generateCoordinateBlock()); } avogadrolibs-1.100.0/tests/core/coordinatesettest.cpp000066400000000000000000000027631474375334400227140ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include using Avogadro::Vector3; using Avogadro::Core::ArraySet; using Avogadro::Core::CoordinateSet; TEST(CoordinateSetTest, StoreType) { ArraySet* array = new CoordinateSet; EXPECT_TRUE(array->isType(Vector3())); delete array; array = nullptr; array = new CoordinateSet; EXPECT_TRUE(array->isType(float())); delete array; array = nullptr; } TEST(CoordinateSetTest, Resize) { CoordinateSet data; data.resize(5); EXPECT_EQ(data.size(), static_cast(5)); data.resize(3); EXPECT_EQ(data.size(), static_cast(3)); } TEST(CoordinateSetTest, Store) { CoordinateSet data; data.resize(5); data[0] = Vector3(0.0, 1.0, 2.0); EXPECT_EQ(data[0].x(), 0.0); EXPECT_EQ(data[0].y(), 1.0); EXPECT_EQ(data[0].z(), 2.0); } TEST(CoordinateSetTest, StoreTypeRetrieve) { CoordinateSet data; data.resize(5); data[0] = Vector3(0.0, 1.0, 2.0); ArraySet* array = &data; CoordinateSet& ref = *reinterpret_cast*>(array); EXPECT_EQ(ref[0].x(), 0.0); EXPECT_EQ(ref[0].y(), 1.0); EXPECT_EQ(ref[0].z(), 2.0); } avogadrolibs-1.100.0/tests/core/cubetest.cpp000066400000000000000000000050021474375334400207540ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include using Avogadro::Vector3; using Avogadro::Vector3i; using Avogadro::Core::Cube; TEST(CubeTest, initialize) { Cube cube; EXPECT_EQ(cube.dimensions(), Vector3i::Zero()); } TEST(CubeTest, name) { Cube cube; cube.setName("test"); EXPECT_EQ(cube.name(), "test"); } TEST(CubeTest, limits) { Cube cube; cube.setLimits(Vector3(0.0, 0.0, 0.0), Vector3(1.0, 1.0, 1.0), Vector3i(10, 10, 10)); EXPECT_EQ(cube.data()->size(), 1000); for (int i = 0; i < 3; ++i) { EXPECT_DOUBLE_EQ(cube.min()[i], 0.0); EXPECT_DOUBLE_EQ(cube.max()[i], 1.0); EXPECT_EQ(cube.dimensions()[i], 10); } Cube cube2; cube2.setLimits(cube); for (int i = 0; i < 3; ++i) { EXPECT_DOUBLE_EQ(cube2.min()[i], 0.0); EXPECT_DOUBLE_EQ(cube2.max()[i], 1.0); EXPECT_EQ(cube2.dimensions()[i], 10); } EXPECT_EQ(cube.data()->size(), 1000); } TEST(CubeTest, value) { Cube cube; cube.setLimits(Vector3(0.0, 0.0, 0.0), Vector3(1.0, 1.0, 1.0), Vector3i(10, 10, 10)); cube.setValue(0, 0, 0, 5.0); cube.setValue(0, 0, 1, 50.0); EXPECT_DOUBLE_EQ(cube.value(0, 0, 0), 5.0); EXPECT_DOUBLE_EQ(cube.value(0, 0, 1), 50.0); } TEST(CubeTest, minmax) { Cube cube; cube.setLimits(Vector3(0.0, 0.0, 0.0), Vector3(1.0, 1.0, 1.0), Vector3i(10, 10, 10)); cube.setValue(0, 0, 0, 5.0); cube.setValue(0, 0, 1, 50.0); EXPECT_DOUBLE_EQ(cube.minValue(), 0.0); EXPECT_DOUBLE_EQ(cube.maxValue(), 50.0); } TEST(CubeTest, index) { Cube cube; cube.setLimits(Vector3(0.0, 0.0, 0.0), Vector3(1.0, 1.0, 1.0), Vector3i(10, 10, 10)); EXPECT_EQ(cube.closestIndex(Vector3(0.0, 0.0, 0.0)), 0); EXPECT_EQ(cube.closestIndex(Vector3(1.0, 0.0, 0.0)), 900); EXPECT_EQ(cube.closestIndex(Vector3(0.0, 1.0, 0.0)), 90); EXPECT_EQ(cube.closestIndex(Vector3(0.0, 0.0, 1.0)), 9); EXPECT_EQ(cube.closestIndex(Vector3(1.0, 1.0, 1.0)), 999); } TEST(CubeTest, position) { Cube cube; cube.setLimits(Vector3(0.0, 0.0, 0.0), Vector3(1.0, 1.0, 1.0), Vector3i(10, 10, 10)); for (int i = 0; i < 3; ++i) EXPECT_DOUBLE_EQ(cube.position(0)[i], 0.0); for (int i = 0; i < 3; ++i) EXPECT_DOUBLE_EQ(cube.position(999)[i], 1.0); } avogadrolibs-1.100.0/tests/core/eigentest.cpp000066400000000000000000000007471474375334400211400ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include TEST(EigenTest, vector3d) { Eigen::Vector3d vec; vec.setZero(); EXPECT_EQ(vec.x(), 0); EXPECT_EQ(vec.y(), 0); EXPECT_EQ(vec.z(), 0); } avogadrolibs-1.100.0/tests/core/elementtest.cpp000066400000000000000000000062701474375334400214770ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include using Avogadro::Core::Elements; TEST(ElementTest, symbolSingles) { EXPECT_EQ(Elements::atomicNumberFromSymbol("H"), 1); EXPECT_EQ(Elements::atomicNumberFromSymbol("C"), 6); EXPECT_EQ(Elements::atomicNumberFromSymbol("S"), 16); EXPECT_EQ(Elements::atomicNumberFromSymbol("U"), 92); EXPECT_EQ(Elements::atomicNumberFromSymbol("X"), Avogadro::InvalidElement); } TEST(ElementTest, symbolDoubles) { EXPECT_EQ(Elements::atomicNumberFromSymbol("He"), 2); EXPECT_EQ(Elements::atomicNumberFromSymbol("Fe"), 26); EXPECT_EQ(Elements::atomicNumberFromSymbol("Lv"), 116); EXPECT_EQ(Elements::atomicNumberFromSymbol("Xe"), 54); EXPECT_EQ(Elements::atomicNumberFromSymbol("Xeee"), Avogadro::InvalidElement); } TEST(ElementTest, names) { EXPECT_STREQ(Elements::name(1), "Hydrogen"); EXPECT_STREQ(Elements::name(6), "Carbon"); EXPECT_STREQ(Elements::name(Elements::atomicNumberFromSymbol("Fe")), "Iron"); } TEST(ElementTest, masses) { EXPECT_EQ(Elements::mass(1), 1.00784); EXPECT_EQ(Elements::mass(6), 12.011); } TEST(ElementTest, radiusVDW) { EXPECT_EQ(Elements::radiusVDW(1), 1.2); EXPECT_EQ(Elements::radiusVDW(6), 1.77); } TEST(ElementTest, radiusCovalent) { EXPECT_EQ(Elements::radiusCovalent(1), 0.32); EXPECT_EQ(Elements::radiusCovalent(6), 0.75); } TEST(ElementTest, colors) { // hydrogen EXPECT_EQ(Elements::color(1)[0], 240); EXPECT_EQ(Elements::color(1)[1], 240); EXPECT_EQ(Elements::color(1)[2], 240); // boron EXPECT_EQ(Elements::color(5)[0], 255); EXPECT_EQ(Elements::color(5)[1], 181); EXPECT_EQ(Elements::color(5)[2], 181); // carbon EXPECT_EQ(Elements::color(6)[0], 127); EXPECT_EQ(Elements::color(6)[1], 127); EXPECT_EQ(Elements::color(6)[2], 127); EXPECT_EQ(Elements::color(7)[0], 48); EXPECT_EQ(Elements::color(7)[1], 80); EXPECT_EQ(Elements::color(7)[2], 255); // Oxygen EXPECT_EQ(Elements::color(8)[0], 255); EXPECT_EQ(Elements::color(8)[1], 13); EXPECT_EQ(Elements::color(8)[2], 13); } TEST(ElementTest, dummyElement) { EXPECT_EQ(Elements::radiusVDW(0), 0.69); EXPECT_EQ(Elements::radiusCovalent(0), 0.18); } TEST(ElementTest, customElements) { for (unsigned char i = Avogadro::CustomElementMin; i <= Avogadro::CustomElementMax; ++i) { std::string name = Elements::name(i); std::string symbol = Elements::symbol(i); // These should not return the dummy labels EXPECT_TRUE(Avogadro::Core::isCustomElement(i)); EXPECT_STRNE(name.c_str(), Elements::name(0)); EXPECT_STRNE(symbol.c_str(), Elements::symbol(0)); // The last two characters must match: EXPECT_EQ(name.substr(name.size() - 2), symbol.substr(symbol.size() - 2)); // Round trip: EXPECT_EQ((int)Elements::atomicNumberFromName(name), (int)i); EXPECT_EQ((int)Elements::atomicNumberFromSymbol(symbol), (int)i); } } avogadrolibs-1.100.0/tests/core/graphtest.cpp000066400000000000000000000070711474375334400211470ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include using Avogadro::Core::Graph; TEST(GraphTest, size) { Graph graph; EXPECT_EQ(graph.size(), static_cast(0)); Graph graph2(12); EXPECT_EQ(graph2.size(), static_cast(12)); } TEST(GraphTest, setSize) { Graph graph; EXPECT_EQ(graph.size(), static_cast(0)); graph.setSize(100); EXPECT_EQ(graph.size(), static_cast(100)); graph.setSize(50); EXPECT_EQ(graph.size(), static_cast(50)); } TEST(GraphTest, isEmpty) { Graph graph; EXPECT_EQ(graph.isEmpty(), true); graph.addVertex(); EXPECT_EQ(graph.isEmpty(), false); graph.clear(); EXPECT_EQ(graph.isEmpty(), true); } TEST(GraphTest, clear) {} TEST(GraphTest, addVertex) { Graph graph; size_t index = graph.addVertex(); EXPECT_EQ(index, 0); EXPECT_EQ(graph.size(), static_cast(1)); index = graph.addVertex(); EXPECT_EQ(index, 1); index = graph.addVertex(); EXPECT_EQ(index, 2); } TEST(GraphTest, removeVertex) { Graph graph(4); EXPECT_EQ(graph.size(), static_cast(4)); graph.removeVertex(0); EXPECT_EQ(graph.size(), static_cast(3)); graph.removeVertex(2); EXPECT_EQ(graph.size(), static_cast(2)); } TEST(GraphTest, vertexCount) { Graph graph; EXPECT_EQ(graph.vertexCount(), static_cast(0)); graph.addVertex(); EXPECT_EQ(graph.vertexCount(), static_cast(1)); graph.addVertex(); EXPECT_EQ(graph.vertexCount(), static_cast(2)); graph.removeVertex(1); EXPECT_EQ(graph.vertexCount(), static_cast(1)); graph.clear(); EXPECT_EQ(graph.vertexCount(), static_cast(0)); } TEST(GraphTest, addEdge) { Graph graph(5); EXPECT_EQ(graph.edgeCount(), static_cast(0)); graph.addEdge(0, 1); EXPECT_EQ(graph.edgeCount(), 1); EXPECT_EQ(graph.containsEdge(0, 1), true); graph.addEdge(1, 4); EXPECT_EQ(graph.edgeCount(), 2); EXPECT_EQ(graph.containsEdge(1, 4), true); } TEST(GraphTest, removeEdge) { Graph graph(5); graph.addEdge(0, 1); graph.addEdge(1, 4); } TEST(GraphTest, edgeCount) { Graph graph(3); EXPECT_EQ(graph.edgeCount(), static_cast(0)); graph.addEdge(0, 1); EXPECT_EQ(graph.edgeCount(), static_cast(1)); graph.addEdge(0, 2); EXPECT_EQ(graph.edgeCount(), static_cast(2)); graph.addEdge(1, 2); EXPECT_EQ(graph.edgeCount(), static_cast(3)); graph.removeEdge(0, 1); EXPECT_EQ(graph.edgeCount(), static_cast(2)); graph.clear(); EXPECT_EQ(graph.edgeCount(), static_cast(0)); } TEST(GraphTest, connectedComponents) { Graph graph(6); EXPECT_EQ(graph.connectedComponents().size(), static_cast(6)); graph.addEdge(0, 1); graph.addEdge(1, 2); graph.addEdge(3, 4); EXPECT_EQ(graph.connectedComponents().size(), static_cast(3)); graph.addEdge(4, 5); EXPECT_EQ(graph.connectedComponents().size(), static_cast(2)); graph.addEdge(3, 2); EXPECT_EQ(graph.connectedComponents().size(), static_cast(1)); graph.addEdge(1, 4); EXPECT_EQ(graph.connectedComponents().size(), static_cast(1)); graph.removeEdge(2, 3); EXPECT_EQ(graph.connectedComponents().size(), static_cast(1)); graph.removeEdges(4); EXPECT_EQ(graph.connectedComponents().size(), static_cast(4)); } avogadrolibs-1.100.0/tests/core/meshtest.cpp000066400000000000000000000042161474375334400210000ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include using Avogadro::Vector3f; using Avogadro::Core::Array; using Avogadro::Core::Color3f; using Avogadro::Core::Mesh; class MeshTest : public testing::Test { public: MeshTest(); void assertEquals(const Mesh& m1, const Mesh& m2); protected: Mesh m_testMesh; }; MeshTest::MeshTest() { Array vertices; Array normals; Array colors; Color3f color = Color3f(23, 23, 23); colors.push_back(color); Vector3f vec(1.2f, 1.3f, 1.4f); vertices.push_back(vec); normals.push_back(vec); m_testMesh.setColors(colors); m_testMesh.setNormals(normals); m_testMesh.setVertices(vertices); m_testMesh.setIsoValue(1.2f); m_testMesh.setName("testmesh"); m_testMesh.setOtherMesh(1); } void MeshTest::assertEquals(const Mesh& m1, const Mesh& m2) { EXPECT_EQ(m1.otherMesh(), m2.otherMesh()); EXPECT_EQ(m1.name(), m2.name()); EXPECT_EQ(m1.isoValue(), m2.isoValue()); EXPECT_TRUE(m1.vertices() == m2.vertices()); const Array colors1 = m1.colors(); const Array colors2 = m1.colors(); EXPECT_EQ(colors1.size(), colors2.size()); int i = 0; for (Array::const_iterator it = colors1.begin(), itEnd = colors1.end(); it != itEnd; ++it) { EXPECT_EQ(it->red(), colors2[i].red()); EXPECT_EQ(it->green(), colors2[i].green()); EXPECT_EQ(it->blue(), colors2[i].blue()); ++i; } EXPECT_TRUE(m1.normals() == m2.normals()); } TEST_F(MeshTest, copy) { Mesh copy(m_testMesh); assertEquals(m_testMesh, copy); EXPECT_NE(m_testMesh.lock(), copy.lock()); } TEST_F(MeshTest, assigment) { Mesh assign = m_testMesh; assertEquals(m_testMesh, assign); EXPECT_NE(m_testMesh.lock(), assign.lock()); } avogadrolibs-1.100.0/tests/core/moleculetest.cpp000066400000000000000000000164551474375334400216610ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "utils.h" #include #include #include #include #include #include using Avogadro::Index; using Avogadro::Vector2; using Avogadro::Vector3; using Avogadro::Vector3f; using Avogadro::Core::Array; using Avogadro::Core::Atom; using Avogadro::Core::Bond; using Avogadro::Core::Color3f; using Avogadro::Core::Mesh; using Avogadro::Core::Molecule; using Avogadro::Core::Variant; using Avogadro::Core::VariantMap; class MoleculeTest : public testing::Test { public: MoleculeTest(); protected: Molecule m_testMolecule; }; MoleculeTest::MoleculeTest() { Atom o1 = m_testMolecule.addAtom(8); Atom h2 = m_testMolecule.addAtom(1); Atom h3 = m_testMolecule.addAtom(1); o1.setPosition3d(Vector3(0, 0, 0)); h2.setPosition3d(Vector3(0.6, -0.5, 0)); h3.setPosition3d(Vector3(-0.6, -0.5, 0)); o1.setPosition2d(Vector2(0, 0)); h2.setPosition2d(Vector2(0.6, -0.5)); h3.setPosition2d(Vector2(-0.6, -0.5)); // Add some data VariantMap data; data.setValue("test", Variant("test")); m_testMolecule.setDataMap(data); // Add some bonds m_testMolecule.perceiveBondsSimple(); Mesh* mesh = m_testMolecule.addMesh(); Array vertices; Array normals; Array colors; Color3f color = Color3f(23, 23, 23); colors.push_back(color); Vector3f vec(1.2f, 1.3f, 1.4f); vertices.push_back(vec); normals.push_back(vec); mesh->setColors(colors); mesh->setNormals(normals); mesh->setVertices(vertices); mesh->setIsoValue(1.2f); mesh->setName("testmesh"); mesh->setOtherMesh(1); mesh->setStable(false); } TEST_F(MoleculeTest, addAtom) { Molecule molecule; EXPECT_EQ(molecule.atomCount(), static_cast(0)); Avogadro::Core::Atom atom = molecule.addAtom(6); EXPECT_EQ(atom.isValid(), true); EXPECT_EQ(molecule.atomCount(), static_cast(1)); EXPECT_EQ(atom.index(), 0); EXPECT_EQ(atom.atomicNumber(), static_cast(6)); Avogadro::Core::Atom atom2 = molecule.addAtom(1); EXPECT_EQ(atom2.isValid(), true); EXPECT_EQ(molecule.atomCount(), static_cast(2)); EXPECT_EQ(atom2.index(), 1); EXPECT_EQ(atom2.atomicNumber(), static_cast(1)); } TEST_F(MoleculeTest, removeAtom) { Molecule molecule; Atom atom0 = molecule.addAtom(6); Atom atom1 = molecule.addAtom(1); Atom atom2 = molecule.addAtom(1); Atom atom3 = molecule.addAtom(1); Atom atom4 = molecule.addAtom(1); molecule.addBond(atom0, atom1, 1); molecule.addBond(atom0, atom2, 1); molecule.addBond(atom0, atom3, 1); molecule.addBond(atom0, atom4, 1); EXPECT_EQ(5, molecule.atomCount()); EXPECT_EQ(4, molecule.bondCount()); molecule.removeAtom(atom0); EXPECT_EQ(4, molecule.atomCount()); EXPECT_EQ(0, molecule.bondCount()); molecule.clearAtoms(); EXPECT_EQ(0, molecule.atomCount()); } TEST_F(MoleculeTest, addBond) { Molecule molecule; EXPECT_EQ(molecule.bondCount(), static_cast(0)); Atom a = molecule.addAtom(1); Atom b = molecule.addAtom(1); Bond bondAB = molecule.addBond(a, b); EXPECT_TRUE(bondAB.isValid()); EXPECT_EQ(bondAB.molecule(), &molecule); EXPECT_EQ(molecule.bondCount(), static_cast(1)); EXPECT_EQ(bondAB.index(), static_cast(0)); EXPECT_EQ(bondAB.atom1().index(), a.index()); EXPECT_EQ(bondAB.atom2().index(), b.index()); EXPECT_EQ(bondAB.order(), static_cast(1)); Atom c = molecule.addAtom(1); Bond bondBC = molecule.addBond(b, c, 2); EXPECT_TRUE(bondBC.isValid()); EXPECT_EQ(molecule.bondCount(), static_cast(2)); EXPECT_EQ(bondBC.index(), static_cast(1)); EXPECT_EQ(bondBC.order(), static_cast(2)); // try to lookup nonexistent bond Bond bond = molecule.bond(a, c); EXPECT_FALSE(bond.isValid()); // try to lookup bond between a and b bond = molecule.bond(a, b); EXPECT_TRUE(bond.isValid()); EXPECT_EQ(bond.molecule(), &molecule); EXPECT_EQ(bond.atom1().index(), a.index()); EXPECT_EQ(bond.atom2().index(), b.index()); // try to lookup bond between b and c by index bond = molecule.bond(1); EXPECT_TRUE(bond.isValid()); EXPECT_EQ(bond.molecule(), &molecule); EXPECT_EQ(bond.atom1().index(), b.index()); EXPECT_EQ(bond.atom2().index(), c.index()); } TEST_F(MoleculeTest, removeBond) { Molecule molecule; Atom a = molecule.addAtom(1); Atom b = molecule.addAtom(1); Bond bondAB = molecule.addBond(a, b); Atom c = molecule.addAtom(1); molecule.addBond(b, c, 2); EXPECT_EQ(3, molecule.atomCount()); EXPECT_EQ(2, molecule.bondCount()); EXPECT_TRUE(molecule.bond(a, b).isValid()); EXPECT_TRUE(molecule.bond(b, c).isValid()); molecule.removeBond(bondAB); EXPECT_EQ(3, molecule.atomCount()); EXPECT_EQ(1, molecule.bondCount()); EXPECT_FALSE(molecule.bond(a, b).isValid()); EXPECT_TRUE(molecule.bond(b, c).isValid()); molecule.clearBonds(); EXPECT_EQ(0, molecule.bondCount()); } TEST_F(MoleculeTest, findBond) { Molecule molecule; Atom a1 = molecule.addAtom(5); Atom a2 = molecule.addAtom(6); Bond b = molecule.addBond(a1, a2, 1); EXPECT_EQ(molecule.bond(a1, a2).index(), b.index()); EXPECT_EQ(molecule.bond(a2, a1).index(), b.index()); Array bonds = molecule.bonds(a1); EXPECT_EQ(bonds.size(), 1); Atom a3 = molecule.addAtom(7); molecule.addBond(a1, a3, 1); EXPECT_EQ(molecule.bonds(a1).size(), 2); EXPECT_EQ(molecule.bonds(a3).size(), 1); } TEST_F(MoleculeTest, setData) { Molecule molecule; molecule.setData("name", "ethanol"); EXPECT_EQ(molecule.data("name").toString(), "ethanol"); } TEST_F(MoleculeTest, dataMap) { Molecule molecule; molecule.setData("name", "ethanol"); molecule.setData("formula", "C2H6O"); VariantMap varMap = molecule.dataMap(); varMap.setValue("SMILES", "CCO"); molecule.setDataMap(varMap); molecule.dataMap().setValue("CAS", "64-17-5"); std::vector dataNames = molecule.dataMap().names(); EXPECT_EQ(dataNames.size(), 4); EXPECT_EQ(molecule.hasData("name"), true); EXPECT_EQ(molecule.hasData("invalid"), false); EXPECT_EQ(molecule.data("name").toString(), "ethanol"); EXPECT_EQ(molecule.data("formula").toString(), "C2H6O"); EXPECT_EQ(molecule.data("SMILES").toString(), "CCO"); EXPECT_EQ(molecule.data("CAS").toString(), "64-17-5"); } TEST_F(MoleculeTest, perceiveBondsSimple) { Molecule molecule; Atom o1 = molecule.addAtom(8); Atom h2 = molecule.addAtom(1); Atom h3 = molecule.addAtom(1); o1.setPosition3d(Vector3(0, 0, 0)); h2.setPosition3d(Vector3(0.6, -0.5, 0)); h3.setPosition3d(Vector3(-0.6, -0.5, 0)); EXPECT_EQ(molecule.bondCount(), 0); molecule.perceiveBondsSimple(); EXPECT_EQ(molecule.bondCount(), 2); EXPECT_TRUE(molecule.bond(o1, h2).isValid()); EXPECT_TRUE(molecule.bond(o1, h3).isValid()); EXPECT_FALSE(molecule.bond(h2, h3).isValid()); } TEST_F(MoleculeTest, copy) { Molecule copy(m_testMolecule); assertEqual(m_testMolecule, copy); } TEST_F(MoleculeTest, assignment) { Molecule assign; assign = m_testMolecule; assertEqual(m_testMolecule, assign); } avogadrolibs-1.100.0/tests/core/mutextest.cpp000066400000000000000000000013471474375334400212100ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include using Avogadro::Core::Mutex; TEST(MutexTest, lock) { Mutex mutex; mutex.lock(); int array[15]; array[4] = 1; mutex.unlock(); EXPECT_EQ(array[4], 1); } TEST(MutexText, tryLock) { Mutex mutex; mutex.lock(); EXPECT_FALSE(mutex.tryLock()); int array[15]; array[4] = 2; mutex.unlock(); EXPECT_TRUE(mutex.tryLock()); mutex.unlock(); EXPECT_EQ(array[4], 2); } avogadrolibs-1.100.0/tests/core/neighborperceivertest.cpp000066400000000000000000000042351474375334400235470ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include using Avogadro::Core::Array; using Avogadro::Core::NeighborPerceiver; using Avogadro::Vector3; TEST(NeighborPerceiverTest, positive) { Array points; points.push_back(Vector3(0.0, 0.0, 0.0)); points.push_back(Vector3(1.0, 0.0, 0.0)); points.push_back(Vector3(0.0, 1.5, 1.5)); points.push_back(Vector3(2.1, 0.0, 0.0)); NeighborPerceiver perceiver(points, 1.0f); auto neighbors = perceiver.getNeighborsInclusive(Vector3(0.0, 0.0, 0.0)); EXPECT_EQ(neighbors.size(), static_cast(3)); } TEST(NeighborPerceiverTest, negative) { Array points; points.push_back(Vector3(0.0, 0.0, 0.0)); points.push_back(Vector3(-1.0, 0.0, 0.0)); points.push_back(Vector3(0.0, -1.5, -1.5)); points.push_back(Vector3(-2.1, 0.0, 0.0)); NeighborPerceiver perceiver(points, 1.0f); auto neighbors = perceiver.getNeighborsInclusive(Vector3(0.0, 0.0, 0.0)); EXPECT_EQ(neighbors.size(), static_cast(3)); } TEST(NeighborPerceiverTest, bounds) { Array points; points.push_back(Vector3(0.0, 0.0, 0.0)); NeighborPerceiver perceiver(points, 1.0f); auto neighbors = perceiver.getNeighborsInclusive(Vector3(0.0, 0.0, 0.0)); EXPECT_EQ(neighbors.size(), static_cast(1)); perceiver.getNeighborsInclusiveInPlace(neighbors, Vector3(1.5, 0.0, 0.0)); EXPECT_EQ(neighbors.size(), static_cast(1)); perceiver.getNeighborsInclusiveInPlace(neighbors, Vector3(2.5, 0.0, 0.0)); EXPECT_EQ(neighbors.size(), static_cast(0)); perceiver.getNeighborsInclusiveInPlace(neighbors, Vector3(-0.5, 0.0, 0.0)); EXPECT_EQ(neighbors.size(), static_cast(1)); perceiver.getNeighborsInclusiveInPlace(neighbors, Vector3(-1.5, 0.0, 0.0)); EXPECT_EQ(neighbors.size(), static_cast(0)); } avogadrolibs-1.100.0/tests/core/ringperceivertest.cpp000066400000000000000000000031251474375334400227060ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include using Avogadro::Core::Molecule; using Avogadro::Core::RingPerceiver; TEST(RingPerceiverTest, benzene) { Molecule molecule; molecule.addAtom(6); molecule.addAtom(6); molecule.addAtom(6); molecule.addAtom(6); molecule.addAtom(6); molecule.addAtom(6); molecule.addBond(molecule.atom(0), molecule.atom(1), 1); molecule.addBond(molecule.atom(1), molecule.atom(2), 2); molecule.addBond(molecule.atom(2), molecule.atom(3), 1); molecule.addBond(molecule.atom(3), molecule.atom(4), 2); molecule.addBond(molecule.atom(4), molecule.atom(5), 1); molecule.addBond(molecule.atom(5), molecule.atom(0), 2); RingPerceiver perceiver(&molecule); std::vector> rings = perceiver.rings(); EXPECT_EQ(rings.size(), static_cast(1)); EXPECT_EQ(rings[0].size(), static_cast(6)); } TEST(RingPerceiverTest, ethanol) { Molecule molecule; molecule.addAtom(6); molecule.addAtom(6); molecule.addAtom(8); molecule.addBond(molecule.atom(0), molecule.atom(1), 1); molecule.addBond(molecule.atom(1), molecule.atom(2), 1); RingPerceiver perceiver(&molecule); std::vector> rings = perceiver.rings(); EXPECT_EQ(rings.size(), static_cast(0)); } avogadrolibs-1.100.0/tests/core/spacegrouptest.cpp000066400000000000000000000504331474375334400222160ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include #include using Avogadro::Matrix3; using Avogadro::Vector3; using Avogadro::Core::AvoSpglib; using Avogadro::Core::Molecule; using Avogadro::Core::SpaceGroups; using Avogadro::Core::UnitCell; TEST(SpaceGroupTest, getSpaceGroup) { Molecule mol; // First, let's build rutile mol.setData("name", "TiO2 rutile"); Matrix3 mat; mat.col(0) = Vector3(2.95812, 0.00000, 0.00000); // A mat.col(1) = Vector3(0.00000, 4.59373, 0.00000); // B mat.col(2) = Vector3(0.00000, 0.00000, 4.59373); // C UnitCell* uc = new UnitCell(mat); mol.setUnitCell(uc); mol.addAtom(8).setPosition3d(uc->toCartesian(Vector3(0.0, 0.3053, 0.3053))); mol.addAtom(8).setPosition3d(uc->toCartesian(Vector3(0.0, 0.6947, 0.6947))); mol.addAtom(8).setPosition3d(uc->toCartesian(Vector3(0.5, 0.1947, 0.8053))); mol.addAtom(8).setPosition3d(uc->toCartesian(Vector3(0.5, 0.8053, 0.1947))); mol.addAtom(22).setPosition3d(uc->toCartesian(Vector3(0.0, 0.0, 0.0))); mol.addAtom(22).setPosition3d(uc->toCartesian(Vector3(0.5, 0.5, 0.5))); // Now let's find the space group of this crystal! double cartTol = 0.05; unsigned short hallNumber = AvoSpglib::getHallNumber(mol, cartTol); EXPECT_EQ(hallNumber, 419); unsigned short intNumber = SpaceGroups::internationalNumber(hallNumber); std::string schoenflies = SpaceGroups::schoenflies(hallNumber); std::string hallSymbol = SpaceGroups::hallSymbol(hallNumber); std::string intSymbol = SpaceGroups::internationalFull(hallNumber); EXPECT_EQ(intNumber, 136); EXPECT_EQ(schoenflies, std::string("D4h^14")); EXPECT_EQ(hallSymbol, std::string("-P 4n 2n")); EXPECT_EQ(intSymbol, std::string("P 4_2/m 2_1/n 2/m")); } // We're going to take a conventional cell, reduce it to the primitive form, // and check our results TEST(SpaceGroupTest, reduceToPrimitive) { // Let's build a primitive cell of corundum! Molecule primMol; Matrix3 primMat; primMat.col(0) = Vector3(5.12980369, 0.00000000, 0.00000000); // A primMat.col(1) = Vector3(2.92081932, 4.21707249, 0.00000000); // B primMat.col(2) = Vector3(2.92081932, 1.52998182, 3.92973995); // C UnitCell* primUC = new UnitCell(primMat); primMol.setUnitCell(primUC); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.94365, 0.55635, 0.25))); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.25000, 0.94365, 0.55635))); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.55635, 0.25000, 0.94365))); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.05635, 0.44365, 0.75000))); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.75000, 0.05635, 0.44365))); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.44365, 0.75000, 0.05635))); primMol.addAtom(13).setPosition3d( primUC->toCartesian(Vector3(0.35217, 0.35217, 0.35217))); primMol.addAtom(13).setPosition3d( primUC->toCartesian(Vector3(0.14783, 0.14783, 0.14783))); primMol.addAtom(13).setPosition3d( primUC->toCartesian(Vector3(0.64783, 0.64783, 0.64783))); primMol.addAtom(13).setPosition3d( primUC->toCartesian(Vector3(0.85217, 0.85217, 0.85217))); // Now, let's build a conventional cell of corundum Molecule convMol; Matrix3 convMat; convMat.col(0) = Vector3(4.76060000, 0.00000000, 0.00000000); // A convMat.col(1) = Vector3(-2.3803000, 4.12280054, 0.00000000); // B convMat.col(2) = Vector3(0.00000000, 0.00000000, 12.99400000); // C UnitCell* convUC = new UnitCell(convMat); convMol.setUnitCell(convUC); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.69365000, 0.00000000, 0.25000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.69365000, 0.25000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.30635000, 0.30635000, 0.25000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.30635000, 0.00000000, 0.75000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.30635000, 0.75000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.69365000, 0.69365000, 0.75000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.36031667, 0.33333333, 0.58333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.02698333, 0.58333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.97301667, 0.63968333, 0.58333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.97301667, 0.33333333, 0.08333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.63968333, 0.08333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.36031667, 0.02698333, 0.08333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.02698333, 0.66666667, 0.91666667))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.36031667, 0.91666667))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.63968333, 0.97301667, 0.91666667))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.63968333, 0.66666667, 0.41666667))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.97301667, 0.41666667))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.02698333, 0.36031667, 0.41666667))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.00000000, 0.35217000))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.00000000, 0.14783000))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.00000000, 0.64783000))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.00000000, 0.85217000))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.33333333, 0.68550333))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.33333333, 0.48116333))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.33333333, 0.98116333))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.33333333, 0.18550333))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.66666667, 0.01883667))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.66666667, 0.81449667))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.66666667, 0.31449667))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.66666667, 0.51883667))); // This should reduce the number of atoms in convMol to be // equivalent to that of the primitive corundum EXPECT_TRUE(AvoSpglib::reduceToPrimitive(convMol, 1e-5)); // Numbers of atoms and volumes should be equal ASSERT_EQ(convMol.atomCount(), primMol.atomCount()); // We compare volumes as floats instead of doubles to allow for a little bit // of a difference between them. ASSERT_FLOAT_EQ(convMol.unitCell()->volume(), primMol.unitCell()->volume()); } // We're going to take a primitive cell, conventionalize it, // and check our results TEST(SpaceGroupTest, conventionalizeCell) { // Let's build a primitive cell of corundum! Molecule primMol; Matrix3 primMat; primMat.col(0) = Vector3(5.12980369, 0.00000000, 0.00000000); // A primMat.col(1) = Vector3(2.92081932, 4.21707249, 0.00000000); // B primMat.col(2) = Vector3(2.92081932, 1.52998182, 3.92973995); // C UnitCell* primUC = new UnitCell(primMat); primMol.setUnitCell(primUC); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.94365, 0.55635, 0.25000))); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.25000, 0.94365, 0.55635))); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.55635, 0.25000, 0.94365))); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.05635, 0.44365, 0.75000))); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.75000, 0.05635, 0.44365))); primMol.addAtom(8).setPosition3d( primUC->toCartesian(Vector3(0.44365, 0.75000, 0.05635))); primMol.addAtom(13).setPosition3d( primUC->toCartesian(Vector3(0.35217, 0.35217, 0.35217))); primMol.addAtom(13).setPosition3d( primUC->toCartesian(Vector3(0.14783, 0.14783, 0.14783))); primMol.addAtom(13).setPosition3d( primUC->toCartesian(Vector3(0.64783, 0.64783, 0.64783))); primMol.addAtom(13).setPosition3d( primUC->toCartesian(Vector3(0.85217, 0.85217, 0.85217))); // Now, let's build a conventional cell of corundum Molecule convMol; Matrix3 convMat; convMat.col(0) = Vector3(4.76060000, 0.00000000, 0.00000000); // A convMat.col(1) = Vector3(-2.3803000, 4.12280054, 0.00000000); // B convMat.col(2) = Vector3(0.00000000, 0.00000000, 12.99400000); // C UnitCell* convUC = new UnitCell(convMat); convMol.setUnitCell(convUC); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.69365000, 0.00000000, 0.25000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.69365000, 0.25000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.30635000, 0.30635000, 0.25000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.30635000, 0.00000000, 0.75000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.30635000, 0.75000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.69365000, 0.69365000, 0.75000000))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.36031667, 0.33333333, 0.58333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.02698333, 0.58333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.97301667, 0.63968333, 0.58333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.97301667, 0.33333333, 0.08333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.63968333, 0.08333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.36031667, 0.02698333, 0.08333333))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.02698333, 0.66666667, 0.91666667))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.36031667, 0.91666667))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.63968333, 0.97301667, 0.91666667))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.63968333, 0.66666667, 0.41666667))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.97301667, 0.41666667))); convMol.addAtom(8).setPosition3d( convUC->toCartesian(Vector3(0.02698333, 0.36031667, 0.41666667))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.00000000, 0.35217000))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.00000000, 0.14783000))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.00000000, 0.64783000))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.00000000, 0.00000000, 0.85217000))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.33333333, 0.68550333))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.33333333, 0.48116333))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.33333333, 0.98116333))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.66666667, 0.33333333, 0.18550333))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.66666667, 0.01883667))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.66666667, 0.81449667))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.66666667, 0.31449667))); convMol.addAtom(13).setPosition3d( convUC->toCartesian(Vector3(0.33333333, 0.66666667, 0.51883667))); // This should increase the number of atoms in primMol to match // that of convMol EXPECT_TRUE(AvoSpglib::conventionalizeCell(primMol, 1e-5)); // Numbers of atoms and volumes should be identical ASSERT_EQ(convMol.atomCount(), primMol.atomCount()); // We compare volumes as floats instead of doubles to allow for a little bit // of a difference between them. ASSERT_FLOAT_EQ(convMol.unitCell()->volume(), primMol.unitCell()->volume()); } TEST(SpaceGroupTest, fillUnitCell) { double cartTol = 1e-5; // MgSiO3 - post-perovskite. Space group: Cmcm. Found in the mantle of the // earth. // http://crystallography.net/cod/9009217.html Molecule mol1; Matrix3 mat1; mat1.col(0) = Vector3(2.456, 0.000, 0.000); // A mat1.col(1) = Vector3(0.000, 8.042, 0.000); // B mat1.col(2) = Vector3(0.000, 0.000, 6.093); // C UnitCell* uc1 = new UnitCell(mat1); mol1.setUnitCell(uc1); mol1.addAtom(12).setPosition3d( uc1->toCartesian(Vector3(0.000, 0.253, 0.250))); mol1.addAtom(14).setPosition3d( uc1->toCartesian(Vector3(0.000, 0.000, 0.000))); mol1.addAtom(8).setPosition3d(uc1->toCartesian(Vector3(0.000, 0.923, 0.250))); mol1.addAtom(8).setPosition3d(uc1->toCartesian(Vector3(0.000, 0.631, 0.436))); // Now, let's perform a fillUnitCell. hallNumber 298 is Cmcm // International: 63 SpaceGroups::fillUnitCell(mol1, 298, cartTol); // It should now have a hall number of 298 unsigned short hallNumber1 = AvoSpglib::getHallNumber(mol1, cartTol); ASSERT_EQ(hallNumber1, 298); // It should now have 20 atoms ASSERT_EQ(mol1.atomCount(), 20); // CaMg(CO3)2 - dolomite. Space group: hexagonal R -3. It is a brittle // mineral found in limestones and other common places. // http://crystallography.net/cod/1517795.html Molecule mol2; Matrix3 mat2; mat2.col(0) = Vector3(4.808, 0.00000, 0.000); // A mat2.col(1) = Vector3(-2.404, 4.16385, 0.000); // B mat2.col(2) = Vector3(0.000, 0.00000, 16.022); // C UnitCell* uc2 = new UnitCell(mat2); mol2.setUnitCell(uc2); mol2.addAtom(20).setPosition3d( uc2->toCartesian(Vector3(0.0000, 0.0000, 0.0000))); mol2.addAtom(12).setPosition3d( uc2->toCartesian(Vector3(0.0000, 0.0000, 0.5000))); mol2.addAtom(6).setPosition3d( uc2->toCartesian(Vector3(0.0000, 0.0000, 0.24287))); mol2.addAtom(8).setPosition3d( uc2->toCartesian(Vector3(0.24796, 0.9653, 0.24402))); // Now, let's perform a fillUnitCell. hallNumber 436 is hexagonal R -3 // International: 148 SpaceGroups::fillUnitCell(mol2, 436, cartTol); // It should now have a hall number of 436 unsigned short hallNumber2 = AvoSpglib::getHallNumber(mol2, cartTol); ASSERT_EQ(hallNumber2, 436); // It should now have 30 atoms ASSERT_EQ(mol2.atomCount(), 30); // CaSiO3 - wollastonite. Space group: P -1. It is found in limestones // and other common minerals. Used in ceramics, brakes, clutches, // metalmaking, paint filler, and plastics. // http://crystallography.net/cod/9005777.html Molecule mol3; Matrix3 mat3; mat3.col(0) = Vector3(7.92580, 0.00000, 0.00000); // A mat3.col(1) = Vector3(-1.69967, 7.12014, 0.00000); // B mat3.col(2) = Vector3(-0.64243, -0.16033, 7.03420); // C UnitCell* uc3 = new UnitCell(mat3); mol3.setUnitCell(uc3); mol3.addAtom(20).setPosition3d( uc3->toCartesian(Vector3(0.198310, 0.42266, 0.76060))); mol3.addAtom(20).setPosition3d( uc3->toCartesian(Vector3(0.202410, 0.92919, 0.76401))); mol3.addAtom(20).setPosition3d( uc3->toCartesian(Vector3(0.503330, 0.75040, 0.52691))); mol3.addAtom(14).setPosition3d( uc3->toCartesian(Vector3(0.185100, 0.38750, 0.26840))); mol3.addAtom(14).setPosition3d( uc3->toCartesian(Vector3(0.184900, 0.95420, 0.26910))); mol3.addAtom(14).setPosition3d( uc3->toCartesian(Vector3(0.397300, 0.72360, 0.05610))); mol3.addAtom(8).setPosition3d( uc3->toCartesian(Vector3(0.303400, 0.46160, 0.46280))); mol3.addAtom(8).setPosition3d( uc3->toCartesian(Vector3(0.301400, 0.93850, 0.46410))); mol3.addAtom(8).setPosition3d( uc3->toCartesian(Vector3(0.570500, 0.76880, 0.19880))); mol3.addAtom(8).setPosition3d( uc3->toCartesian(Vector3(0.983200, 0.37390, 0.26550))); mol3.addAtom(8).setPosition3d( uc3->toCartesian(Vector3(0.981900, 0.86770, 0.26480))); mol3.addAtom(8).setPosition3d( uc3->toCartesian(Vector3(0.401800, 0.72660, 0.82960))); mol3.addAtom(8).setPosition3d( uc3->toCartesian(Vector3(0.218300, 0.17850, 0.22540))); mol3.addAtom(8).setPosition3d( uc3->toCartesian(Vector3(0.271300, 0.87040, 0.09380))); mol3.addAtom(8).setPosition3d( uc3->toCartesian(Vector3(0.273500, 0.51260, 0.09310))); // Now, let's perform a fillUnitCell. hallNumber 2 is hexagonal P -1 // International: 2 SpaceGroups::fillUnitCell(mol3, 2, cartTol); // It should now have a hall number of 2 unsigned short hallNumber3 = AvoSpglib::getHallNumber(mol3, cartTol); ASSERT_EQ(hallNumber3, 2); // It should now have 30 atoms ASSERT_EQ(mol3.atomCount(), 30); } TEST(SpaceGroupTest, reduceToAsymmetricUnit) { double cartTol = 1e-5; // Let's build rutile for the first test Molecule mol1; mol1.setData("name", "TiO2 rutile"); Matrix3 mat1; mat1.col(0) = Vector3(2.95812, 0.00000, 0.00000); // A mat1.col(1) = Vector3(0.00000, 4.59373, 0.00000); // B mat1.col(2) = Vector3(0.00000, 0.00000, 4.59373); // C UnitCell* uc1 = new UnitCell(mat1); mol1.setUnitCell(uc1); mol1.addAtom(8).setPosition3d(uc1->toCartesian(Vector3(0.0, 0.3053, 0.3053))); mol1.addAtom(8).setPosition3d(uc1->toCartesian(Vector3(0.0, 0.6947, 0.6947))); mol1.addAtom(8).setPosition3d(uc1->toCartesian(Vector3(0.5, 0.1947, 0.8053))); mol1.addAtom(8).setPosition3d(uc1->toCartesian(Vector3(0.5, 0.8053, 0.1947))); mol1.addAtom(22).setPosition3d(uc1->toCartesian(Vector3(0.0, 0.0, 0.0))); mol1.addAtom(22).setPosition3d(uc1->toCartesian(Vector3(0.5, 0.5, 0.5))); // This is space group international number 136 - the space group of rutile unsigned short hallNumber1 = 419; SpaceGroups::reduceToAsymmetricUnit(mol1, hallNumber1, cartTol); // There should now only be two atoms and two types: O and Ti ASSERT_EQ(mol1.atomCount(), 2); ASSERT_EQ(mol1.atomicNumbers().size(), 2); // Reducing a cell to its asymmetric unit is essentially the reverse of // filling a unit cell. So let's fill a unit cell, reduce it to its // asymmetric unit, and then check to see if it is back to its original state // CaMg(CO3)2 - dolomite. Space group: hexagonal R -3. It is a brittle // mineral found in limestones and other common places. // http://crystallography.net/cod/1517795.html Molecule mol2; Matrix3 mat2; mat2.col(0) = Vector3(4.808, 0.00000, 0.000); // A mat2.col(1) = Vector3(-2.404, 4.16385, 0.000); // B mat2.col(2) = Vector3(0.000, 0.00000, 16.022); // C UnitCell* uc2 = new UnitCell(mat2); mol2.setUnitCell(uc2); mol2.addAtom(20).setPosition3d( uc2->toCartesian(Vector3(0.0000, 0.0000, 0.0000))); mol2.addAtom(12).setPosition3d( uc2->toCartesian(Vector3(0.0000, 0.0000, 0.5000))); mol2.addAtom(6).setPosition3d( uc2->toCartesian(Vector3(0.0000, 0.0000, 0.24287))); mol2.addAtom(8).setPosition3d( uc2->toCartesian(Vector3(0.24796, 0.9653, 0.24402))); // Now, let's perform a fillUnitCell. hallNumber 436 is hexagonal R -3 // International: 148 SpaceGroups::fillUnitCell(mol2, 436, cartTol); // It should now have a hall number of 436 unsigned short hallNumber2 = AvoSpglib::getHallNumber(mol2, cartTol); ASSERT_EQ(hallNumber2, 436); // It should now have 30 atoms ASSERT_EQ(mol2.atomCount(), 30); // Now let's revert it back to its original state SpaceGroups::reduceToAsymmetricUnit(mol2, 436, cartTol); // It should have 4 atoms again and 4 atom types ASSERT_EQ(mol2.atomCount(), 4); ASSERT_EQ(mol2.atomicNumbers().size(), 4); } avogadrolibs-1.100.0/tests/core/unitcelltest.cpp000066400000000000000000000307071474375334400216670ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include using namespace Avogadro; using namespace Avogadro::Core; namespace { // use alpha, beta, gamma in degrees Molecule createCrystal(Real a, Real b, Real c, Real alpha, Real beta, Real gamma) { Molecule mol; mol.setUnitCell(new UnitCell); mol.unitCell()->setCellParameters(a, b, c, alpha * DEG_TO_RAD, beta * DEG_TO_RAD, gamma * DEG_TO_RAD); return mol; } // use alpha, beta, gamma in degrees bool checkParams(const UnitCell& cell, Real a, Real b, Real c, Real alpha, Real beta, Real gamma) { Real aRad = alpha * DEG_TO_RAD; Real bRad = beta * DEG_TO_RAD; Real gRad = gamma * DEG_TO_RAD; if (std::fabs(cell.a() - a) > 1e-3 || std::fabs(cell.b() - b) > 1e-3 || std::fabs(cell.c() - c) > 1e-3 || std::fabs(cell.alpha() - aRad) > 1e-3 || std::fabs(cell.beta() - bRad) > 1e-3 || std::fabs(cell.gamma() - gRad) > 1e-3) { std::cerr << "Actual cell: " << "a=" << cell.a() << " " << "b=" << cell.b() << " " << "c=" << cell.c() << " " << "alpha=" << cell.alpha() * RAD_TO_DEG << " " << "beta=" << cell.beta() * RAD_TO_DEG << " " << "gamma=" << cell.gamma() * RAD_TO_DEG << std::endl; return false; } return true; } } // namespace TEST(UnitCellTest, cellParameters) { Real a = static_cast(2.0); Real b = static_cast(3.0); Real c = static_cast(4.0); Real alpha = static_cast(70 * DEG_TO_RAD); Real beta = static_cast(120 * DEG_TO_RAD); Real gamma = static_cast(85 * DEG_TO_RAD); UnitCell unitCell; unitCell.setCellParameters(a, b, c, alpha, beta, gamma); EXPECT_FLOAT_EQ(static_cast(a), static_cast(unitCell.a())); EXPECT_FLOAT_EQ(static_cast(b), static_cast(unitCell.b())); EXPECT_FLOAT_EQ(static_cast(c), static_cast(unitCell.c())); EXPECT_FLOAT_EQ(static_cast(alpha), static_cast(unitCell.alpha())); EXPECT_FLOAT_EQ(static_cast(beta), static_cast(unitCell.beta())); EXPECT_FLOAT_EQ(static_cast(gamma), static_cast(unitCell.gamma())); } TEST(UnitCellTest, niggliReduce_G1973) { // Test from Gruber 1973 Molecule mol = createCrystal(static_cast(2.0), static_cast(11.661904), static_cast(8.7177979), static_cast(139.66731), static_cast(152.74610), static_cast(19.396626)); EXPECT_FALSE(CrystalTools::isNiggliReduced(mol)); EXPECT_TRUE(CrystalTools::niggliReduce(mol)); EXPECT_TRUE(CrystalTools::isNiggliReduced(mol)); EXPECT_TRUE( checkParams(*mol.unitCell(), static_cast(2.0), static_cast(4.0), static_cast(4.0), static_cast(60.0000), static_cast(79.1931), static_cast(75.5225))); } TEST(UnitCellTest, niggliReduce_GK1976) { // Test from Gruber-Krivy 1976 Molecule mol = createCrystal(static_cast(3.0), static_cast(5.1961524), static_cast(2.0), static_cast(103.91975), static_cast(109.47122), static_cast(134.88211)); EXPECT_FALSE(CrystalTools::isNiggliReduced(mol)); EXPECT_TRUE(CrystalTools::niggliReduce(mol)); EXPECT_TRUE(CrystalTools::isNiggliReduced(mol)); EXPECT_TRUE( checkParams(*mol.unitCell(), static_cast(2.0), static_cast(3.0), static_cast(3.0), static_cast(60.0000), static_cast(75.5225), static_cast(70.5288))); } // For the rotate test, just make sure that the cell parameters are the same // before and after the rotation. #define RTSO_INIT \ Real a, b, c, alpha, beta, gamma; \ Matrix3 mat; \ Molecule mol #define RTSO_DO_TEST \ a = mol.unitCell()->a(); \ b = mol.unitCell()->b(); \ c = mol.unitCell()->c(); \ alpha = mol.unitCell()->alpha(); \ beta = mol.unitCell()->beta(); \ gamma = mol.unitCell()->gamma(); \ EXPECT_TRUE(CrystalTools::rotateToStandardOrientation(mol)); \ EXPECT_FLOAT_EQ(static_cast(a), \ static_cast(mol.unitCell()->a())); \ EXPECT_FLOAT_EQ(static_cast(b), \ static_cast(mol.unitCell()->b())); \ EXPECT_FLOAT_EQ(static_cast(c), \ static_cast(mol.unitCell()->c())); \ EXPECT_FLOAT_EQ(static_cast(alpha), \ static_cast(mol.unitCell()->alpha())); \ EXPECT_FLOAT_EQ(static_cast(beta), \ static_cast(mol.unitCell()->beta())); \ EXPECT_FLOAT_EQ(static_cast(gamma), \ static_cast(mol.unitCell()->gamma())) #define RTSO_TEST_PARAMS(a_, b_, c_, alpha_, beta_, gamma_) \ mol = createCrystal(static_cast(a_), static_cast(b_), \ static_cast(c_), static_cast(alpha_), \ static_cast(beta_), static_cast(gamma_)); \ RTSO_DO_TEST #define RTSO_TEST_MATRIX(v1x, v1y, v1z, v2x, v2y, v2z, v3x, v3y, v3z) \ mat.col(0) = Vector3(static_cast(v1x), static_cast(v1y), \ static_cast(v1z)); \ mat.col(1) = Vector3(static_cast(v2x), static_cast(v2y), \ static_cast(v2z)); \ mat.col(2) = Vector3(static_cast(v3x), static_cast(v3y), \ static_cast(v3z)); \ CrystalTools::setCellMatrix(mol, mat); \ RTSO_DO_TEST TEST(UnitCellTest, rotateToStandardOrientation) { RTSO_INIT; RTSO_TEST_PARAMS(3, 3, 3, 90, 90, 90); RTSO_TEST_PARAMS(3, 3, 3, 70, 90, 80); RTSO_TEST_PARAMS(3, 3, 3, 120, 123, 100); RTSO_TEST_PARAMS(4, 3, 1, 75.44444, 68.33333, 123.15682); RTSO_TEST_MATRIX(1, -4, 3, 0, 5, -8, 0, 0, -3); RTSO_TEST_MATRIX(1, 3, 6, -4, 5, -1, 3, -8, -3); } TEST(UnitCellTest, setVolume) { Molecule mol = createCrystal( static_cast(3.0), static_cast(3.0), static_cast(3.0), static_cast(90.0), static_cast(120.0), static_cast(77.0)); EXPECT_TRUE(CrystalTools::setVolume(mol, static_cast(1.0))); EXPECT_FLOAT_EQ(1.f, static_cast(mol.unitCell()->volume())); EXPECT_FLOAT_EQ(90.f, static_cast(mol.unitCell()->alpha() * RAD_TO_DEG)); EXPECT_FLOAT_EQ(120.f, static_cast(mol.unitCell()->beta() * RAD_TO_DEG)); EXPECT_FLOAT_EQ(77.f, static_cast(mol.unitCell()->gamma() * RAD_TO_DEG)); } TEST(UnitCellTest, fractionalCoordinates) { Molecule mol = createCrystal( static_cast(3.0), static_cast(4.0), static_cast(5.0), static_cast(90.0), static_cast(120.0), static_cast(77.0)); mol.addAtom(1).setPosition3d( Vector3(static_cast(0), static_cast(0), static_cast(0))); mol.addAtom(1).setPosition3d(Vector3(static_cast(0.7), static_cast(2.23733), static_cast(2.14574))); mol.addAtom(1).setPosition3d(Vector3(static_cast(2.07490), static_cast(2.09303), static_cast(1.07287))); mol.addAtom(1).setPosition3d( Vector3(static_cast(3), static_cast(0), static_cast(0))); mol.addAtom(1).setPosition3d(Vector3(static_cast(0.89980), static_cast(3.89748), static_cast(0))); mol.addAtom(1).setPosition3d(Vector3(static_cast(-2.5), static_cast(0.57717), static_cast(4.29149))); Array ccoords_ref = mol.atomPositions3d(); Array fcoords; EXPECT_TRUE(CrystalTools::fractionalCoordinates(mol, fcoords)); EXPECT_EQ(mol.atomCount(), fcoords.size()); EXPECT_TRUE(std::fabs(fcoords[0][0] - static_cast(0)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[0][1] - static_cast(0)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[0][2] - static_cast(0)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[1][0] - static_cast(0.5)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[1][1] - static_cast(0.5)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[1][2] - static_cast(0.5)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[2][0] - static_cast(0.75)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[2][1] - static_cast(0.5)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[2][2] - static_cast(0.25)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[3][0] - static_cast(1)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[3][1] - static_cast(0)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[3][2] - static_cast(0)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[4][0] - static_cast(0)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[4][1] - static_cast(1)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[4][2] - static_cast(0)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[5][0] - static_cast(0)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[5][1] - static_cast(0)) < 1e-4); EXPECT_TRUE(std::fabs(fcoords[5][2] - static_cast(1)) < 1e-4); mol.atomPositions3d().clear(); EXPECT_TRUE(CrystalTools::setFractionalCoordinates(mol, fcoords)); Array ccoords = mol.atomPositions3d(); for (int i = 0; i < 6; ++i) { for (int j = 0; j < 3; ++j) { EXPECT_FLOAT_EQ(static_cast(ccoords_ref[i][j]), static_cast(ccoords[i][j])) << " (i=" << i << "j=" << j << ")"; } } } TEST(UnitCellTest, wrapAtomsToUnitCell) { Molecule mol = createCrystal( static_cast(3.0), static_cast(4.0), static_cast(5.0), static_cast(90.0), static_cast(120.0), static_cast(77.0)); for (int i = 0; i < 10; ++i) mol.addAtom(1).setPosition3d(Vector3::Zero()); Array fcoords; for (int i = 0; i < 10; ++i) { fcoords.push_back(Vector3(static_cast(i + i / 10.), static_cast(i + 2 * i / 10.), static_cast(i + 3 * i / 10.))); } EXPECT_TRUE(CrystalTools::setFractionalCoordinates(mol, fcoords)); EXPECT_TRUE(CrystalTools::wrapAtomsToUnitCell(mol)); fcoords.clear(); EXPECT_TRUE(CrystalTools::fractionalCoordinates(mol, fcoords)); for (std::vector::const_iterator it = fcoords.begin(), itEnd = fcoords.end(); it != itEnd; ++it) { EXPECT_GT( it->x(), static_cast( -std::numeric_limits::epsilon())); // x >= 0, "mostly" zero EXPECT_LE(it->x(), static_cast(1.0)); EXPECT_GT( it->y(), static_cast( -std::numeric_limits::epsilon())); // y >= 0, "mostly" zero EXPECT_LE(it->y(), static_cast(1.0)); EXPECT_GT( it->z(), static_cast( -std::numeric_limits::epsilon())); // z >= 0, "mostly" zero EXPECT_LE(it->z(), static_cast(1.0)); } } avogadrolibs-1.100.0/tests/core/utilitiestest.cpp000066400000000000000000000034521474375334400220600ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include using Avogadro::Core::contains; using Avogadro::Core::lexicalCast; using Avogadro::Core::split; using Avogadro::Core::startsWith; using Avogadro::Core::trimmed; using std::string; TEST(UtilitiesTest, split) { string test(" trim white space "); EXPECT_EQ(split(test, ' ').size(), 3); } TEST(UtilitiesTest, splitEmpty) { string test(" trim white space "); EXPECT_EQ(split(test, ' ', false).size(), 7); } TEST(UtilitiesTest, trimmed) { string test(" trim white space \n\t\r"); EXPECT_EQ(trimmed(test), "trim white space"); EXPECT_EQ(trimmed("test"), "test"); EXPECT_EQ(trimmed("H"), "H"); EXPECT_EQ(trimmed(" H"), "H"); EXPECT_EQ(trimmed("H "), "H"); EXPECT_EQ(trimmed(" H "), "H"); } TEST(UtilitiesTest, lexicalCast) { EXPECT_EQ(lexicalCast("5"), 5); EXPECT_EQ(lexicalCast("5.3"), 5.3); EXPECT_EQ(lexicalCast("5.3E-10"), 5.3e-10); } TEST(UtilitiesTest, lexicalCastCheck) { // Something simple that should pass. bool ok(false); lexicalCast("5", ok); EXPECT_EQ(ok, true); // Pass something in that should fail. lexicalCast("five", ok); EXPECT_EQ(ok, false); } TEST(UtilitiesTest, contains) { EXPECT_TRUE(contains("hasFoo", "has")); EXPECT_TRUE(contains("hasFoo", "Foo")); EXPECT_FALSE(contains("hasFoo", "bar")); } TEST(UtilitiesTest, startsWith) { EXPECT_TRUE(startsWith("hasFoo", "has")); EXPECT_FALSE(startsWith("hasFoo", "Foo")); EXPECT_FALSE(startsWith("hasFoo", "bar")); } avogadrolibs-1.100.0/tests/core/utils.h000066400000000000000000000032711474375334400177510ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. Copyright 2013 Kitware, Inc. This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. ******************************************************************************/ #include #include #include #include #include void assertEqual(const Avogadro::Core::Molecule& m1, const Avogadro::Core::Molecule& m2) { EXPECT_EQ(m1.atomCount(), m2.atomCount()); EXPECT_TRUE(m1.atomicNumbers() == m2.atomicNumbers()); EXPECT_TRUE(m1.atomPositions2d() == m2.atomPositions2d()); EXPECT_TRUE(m1.atomPositions3d() == m2.atomPositions3d()); EXPECT_EQ(m1.data("test").toString(), m2.data("test").toString()); EXPECT_TRUE(m1.bondPairs() == m2.bondPairs()); EXPECT_TRUE(m1.bondOrders() == m2.bondOrders()); EXPECT_EQ(m1.meshCount(), m2.meshCount()); for (size_t i = 0; i < m1.meshCount(); i++) { const Avogadro::Core::Mesh* mesh1 = m1.mesh(i); const Avogadro::Core::Mesh* mesh2 = m2.mesh(i); EXPECT_TRUE(mesh1->vertices() == mesh2->vertices()); EXPECT_TRUE(mesh1->normals() == mesh2->vertices()); EXPECT_EQ(mesh1->name(), mesh2->name()); EXPECT_EQ(mesh1->isoValue(), mesh2->isoValue()); } } avogadrolibs-1.100.0/tests/core/variantmaptest.cpp000066400000000000000000000014071474375334400222050ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include using Avogadro::Core::VariantMap; TEST(VariantMapTest, size) { VariantMap map; EXPECT_EQ(map.size(), static_cast(0)); } TEST(VariantMapTest, isEmpty) { VariantMap map; EXPECT_EQ(map.isEmpty(), true); map.setValue("value1", 1); EXPECT_EQ(map.isEmpty(), false); EXPECT_EQ(map.hasValue("value1"), true); EXPECT_EQ(map.hasValue("value2"), false); EXPECT_EQ(map.value("value1").toInt(), 1); } avogadrolibs-1.100.0/tests/core/varianttest.cpp000066400000000000000000000065411474375334400215130ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include using Avogadro::MatrixX; using Avogadro::Core::Variant; TEST(VariantTest, isNull) { Variant variant; EXPECT_EQ(variant.isNull(), true); variant.setValue(7); EXPECT_EQ(variant.isNull(), false); } TEST(VariantTest, clear) { Variant variant(62); EXPECT_EQ(variant.isNull(), false); variant.clear(); EXPECT_EQ(variant.isNull(), true); variant.setValue('f'); EXPECT_EQ(variant.isNull(), false); variant.clear(); EXPECT_EQ(variant.isNull(), true); } TEST(VariantTest, toBool) { Variant variant(false); EXPECT_EQ(variant.toBool(), false); variant.setValue(true); EXPECT_EQ(variant.toBool(), true); variant.setValue(0); EXPECT_EQ(variant.toBool(), false); variant.setValue(1); EXPECT_EQ(variant.toBool(), true); variant.setValue(-5); EXPECT_EQ(variant.toBool(), true); } TEST(VariantTest, toChar) { Variant variant('c'); EXPECT_EQ(variant.toChar(), 'c'); variant.setValue("hello"); EXPECT_EQ(variant.toChar(), 'h'); } TEST(VariantTest, toShort) { Variant variant(short(4)); EXPECT_EQ(variant.toShort(), short(4)); } TEST(VariantTest, toInt) { Variant variant(12); EXPECT_EQ(variant.toInt(), int(12)); variant.setValue(-23); EXPECT_EQ(variant.toInt(), int(-23)); variant.setValue("42"); EXPECT_EQ(variant.toInt(), int(42)); variant.setValue(true); EXPECT_EQ(variant.toInt(), int(1)); variant.setValue(false); EXPECT_EQ(variant.toInt(), int(0)); } TEST(VariantTest, toLong) { Variant variant(192L); EXPECT_EQ(variant.toLong(), 192L); variant.setValue(7); EXPECT_EQ(variant.toLong(), 7L); variant.setValue("562"); EXPECT_EQ(variant.toLong(), 562L); } TEST(VariantTest, toFloat) { Variant variant(12.3f); EXPECT_EQ(variant.toFloat(), 12.3f); } TEST(VariantTest, toDouble) { Variant variant(3.14); EXPECT_EQ(variant.toDouble(), 3.14); } TEST(VariantTest, toPointer) { int value; void* pointer = &value; Variant variant(pointer); EXPECT_EQ(variant.toPointer(), pointer); } TEST(VariantTest, toString) { Variant variant("hello"); EXPECT_EQ(variant.toString(), std::string("hello")); variant.setValue(12); EXPECT_EQ(variant.toString(), std::string("12")); variant.setValue(std::string("hello2")); EXPECT_EQ(variant.toString(), std::string("hello2")); } TEST(VariantTest, toMatrix) { MatrixX matrix(6, 7); for (int row = 0; row < matrix.rows(); ++row) { for (int col = 0; col < matrix.cols(); ++col) { matrix(row, col) = 2 * row + col / static_cast(matrix.cols()); } } Variant variant(matrix); const MatrixX& varMatrix = variant.toMatrixRef(); ASSERT_EQ(matrix.rows(), varMatrix.rows()) << "Number of rows don't match after variant-matrix conversion!"; ASSERT_EQ(matrix.cols(), varMatrix.cols()) << "Number of columns don't match after variant-matrix conversion!"; for (int row = 0; row < matrix.rows(); ++row) { for (int col = 0; col < matrix.cols(); ++col) { EXPECT_EQ(matrix(row, col), varMatrix(row, col)) << "Value mismatch at " << row << ", " << col << "!"; } } } avogadrolibs-1.100.0/tests/io/000077500000000000000000000000001474375334400161145ustar00rootroot00000000000000avogadrolibs-1.100.0/tests/io/CMakeLists.txt000066400000000000000000000040161474375334400206550ustar00rootroot00000000000000# Specify the name of each test (the Test will be appended where needed). set(tests Cjson Cml FileFormatManager Lammps Mdl Pdb Vasp Xyz ) if(USE_HDF5) list(APPEND tests Hdf5) endif() if(USE_MMTF) list(APPEND tests MMTF) endif() include_directories("${CMAKE_CURRENT_BINARY_DIR}" "${AvogadroLibs_BINARY_DIR}/avogadro/io") if(AVOGADRO_DATA_ROOT) set(AVOGADRO_DATA ${AVOGADRO_DATA_ROOT}) else() message("No data root found, please set to run the tests.") return() endif() configure_file("${CMAKE_CURRENT_SOURCE_DIR}/iotests.h.in" "${CMAKE_CURRENT_BINARY_DIR}/iotests.h" @ONLY) # Build up the source file names. set(testSrcs "") foreach(TestName ${tests}) message(STATUS "Adding ${TestName} test.") string(TOLOWER ${TestName} testname) list(APPEND testSrcs ${testname}test.cpp) endforeach() message(STATUS "Test source files: ${testSrcs}") # Add a single executable for all of our tests. add_executable(AvogadroIOTests ${testSrcs}) target_link_libraries(AvogadroIOTests Avogadro::IO ${GTEST_BOTH_LIBRARIES} ${EXTRA_LINK_LIB}) # Now add all of the tests, using the gtest_filter argument so that only those # cases are run in each test invocation. foreach(TestName ${tests}) add_test(NAME "Io-${TestName}" COMMAND AvogadroIOTests "--gtest_filter=${TestName}Test.*") endforeach() if (DEFINED ENV{LIB_FUZZING_ENGINE}) option(ENABLE_FUZZ "Enable fuzz testing." ON) else() option(ENABLE_FUZZ "Enable fuzz testing." OFF) endif() if(ENABLE_FUZZ OR DEFINED ENV{LIB_FUZZING_ENGINE}) # todo - make this into a loop for multiple formats set(fuzz cjson cml sdf pdb xyz ) foreach(fuzzName ${fuzz}) add_executable(fuzz_${fuzzName} fuzztest.cpp) target_compile_definitions(fuzz_${fuzzName} PRIVATE -DFUZZ_INPUT_FORMAT="${fuzzName}") target_compile_options(fuzz_${fuzzName} PRIVATE -g -fsanitize=fuzzer) target_link_options(fuzz_${fuzzName} PRIVATE -fsanitize=fuzzer) target_link_libraries(fuzz_${fuzzName} PRIVATE Avogadro::IO $ENV{LIB_FUZZING_ENGINE}) endforeach() endif() avogadrolibs-1.100.0/tests/io/cjsontest.cpp000066400000000000000000000144171474375334400206430ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "iotests.h" #include #include #include #include #include using Avogadro::MatrixX; using Avogadro::PI_F; using Avogadro::Real; using Avogadro::Core::Atom; using Avogadro::Core::Bond; using Avogadro::Core::Molecule; using Avogadro::Core::UnitCell; using Avogadro::Core::Variant; using Avogadro::Io::CjsonFormat; TEST(CjsonTest, readFile) { CjsonFormat cjson; Molecule molecule; bool success = cjson.readFile(std::string(AVOGADRO_DATA) + "/data/ethane.cjson", molecule); EXPECT_TRUE(success); EXPECT_EQ(cjson.error(), ""); EXPECT_EQ(molecule.data("name").type(), Variant::String); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.data("inchi").type(), Variant::String); EXPECT_EQ(molecule.data("inchi").toString(), "1/C2H6/c1-2/h1-2H3"); } TEST(CjsonTest, atoms) { CjsonFormat cjson; Molecule molecule; bool success = cjson.readFile(std::string(AVOGADRO_DATA) + "/data/ethane.cjson", molecule); EXPECT_TRUE(success); EXPECT_EQ(cjson.error(), ""); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.atomCount(), static_cast(8)); Atom atom = molecule.atom(0); EXPECT_EQ(atom.atomicNumber(), static_cast(1)); atom = molecule.atom(1); EXPECT_EQ(atom.atomicNumber(), static_cast(6)); EXPECT_EQ(atom.position3d().x(), 0.751621); EXPECT_EQ(atom.position3d().y(), -0.022441); EXPECT_EQ(atom.position3d().z(), -0.020839); atom = molecule.atom(7); EXPECT_EQ(atom.atomicNumber(), static_cast(1)); EXPECT_EQ(atom.position3d().x(), -1.184988); EXPECT_EQ(atom.position3d().y(), 0.004424); EXPECT_EQ(atom.position3d().z(), -0.987522); } TEST(CjsonTest, bonds) { CjsonFormat cjson; Molecule molecule; bool success = cjson.readFile(std::string(AVOGADRO_DATA) + "/data/ethane.cjson", molecule); EXPECT_TRUE(success); EXPECT_EQ(cjson.error(), ""); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.atomCount(), static_cast(8)); EXPECT_EQ(molecule.bondCount(), static_cast(7)); Bond bond = molecule.bond(0); EXPECT_EQ(bond.atom1().index(), static_cast(0)); EXPECT_EQ(bond.atom2().index(), static_cast(1)); EXPECT_EQ(bond.order(), static_cast(1)); bond = molecule.bond(6); EXPECT_EQ(bond.atom1().index(), static_cast(4)); EXPECT_EQ(bond.atom2().index(), static_cast(7)); EXPECT_EQ(bond.order(), static_cast(1)); } TEST(CjsonTest, crystal) { CjsonFormat cjson; Molecule molecule; bool success = cjson.readFile(std::string(AVOGADRO_DATA) + "/data/rutile.cjson", molecule); EXPECT_TRUE(success); EXPECT_EQ(cjson.error(), ""); EXPECT_EQ(molecule.data("name").toString(), "TiO2 rutile"); EXPECT_EQ(molecule.atomCount(), static_cast(6)); EXPECT_EQ(molecule.bondCount(), static_cast(0)); const UnitCell* unitCell = molecule.unitCell(); ASSERT_NE(unitCell, (UnitCell*)nullptr); EXPECT_TRUE(std::fabs((float)unitCell->a() - 2.95812f) < 1e-5f); EXPECT_TRUE(std::fabs((float)unitCell->b() - 4.59373f) < 1e-5f); EXPECT_TRUE(std::fabs((float)unitCell->c() - 4.59373f) < 1e-5f); EXPECT_TRUE(std::fabs((float)unitCell->alpha() - (.5f * PI_F)) < 1e-5f); EXPECT_TRUE(std::fabs((float)unitCell->beta() - (.5f * PI_F)) < 1e-5f); EXPECT_TRUE(std::fabs((float)unitCell->gamma() - (.5f * PI_F)) < 1e-5f); Atom atom = molecule.atom(5); EXPECT_EQ(atom.atomicNumber(), 8); EXPECT_TRUE(std::fabs((float)atom.position3d().x() - 1.479060f) < 1e-5f); EXPECT_TRUE(std::fabs((float)atom.position3d().y() - 3.699331f) < 1e-5f); EXPECT_TRUE(std::fabs((float)atom.position3d().z() - 0.894399f) < 1e-5f); std::string cjsonStr; cjson.writeString(cjsonStr, molecule); Molecule otherMolecule; cjson.readString(cjsonStr, otherMolecule); const UnitCell* otherUnitCell = otherMolecule.unitCell(); ASSERT_NE(otherUnitCell, (UnitCell*)nullptr); EXPECT_FLOAT_EQ((float)otherUnitCell->a(), (float)unitCell->a()); EXPECT_FLOAT_EQ((float)otherUnitCell->b(), (float)unitCell->b()); EXPECT_FLOAT_EQ((float)otherUnitCell->c(), (float)unitCell->c()); EXPECT_FLOAT_EQ((float)otherUnitCell->alpha(), (float)unitCell->alpha()); EXPECT_FLOAT_EQ((float)otherUnitCell->beta(), (float)unitCell->beta()); EXPECT_FLOAT_EQ((float)otherUnitCell->gamma(), (float)unitCell->gamma()); Atom otherAtom = otherMolecule.atom(5); EXPECT_EQ(otherAtom.atomicNumber(), atom.atomicNumber()); EXPECT_FLOAT_EQ((float)otherAtom.position3d().x(), (float)atom.position3d().x()); EXPECT_FLOAT_EQ((float)otherAtom.position3d().y(), (float)atom.position3d().y()); EXPECT_FLOAT_EQ((float)otherAtom.position3d().z(), (float)atom.position3d().z()); } TEST(CjsonTest, saveFile) { CjsonFormat cjson; Molecule savedMolecule, molecule; bool success = cjson.readFile( std::string(AVOGADRO_DATA) + "/data/ethane.cjson", savedMolecule); EXPECT_TRUE(success); EXPECT_EQ(cjson.error(), ""); success = cjson.writeFile("ethanetmp.cjson", savedMolecule); EXPECT_TRUE(success); EXPECT_EQ(cjson.error(), ""); // Now read the file back in and check a few key values are still present. success = cjson.readFile("ethanetmp.cjson", molecule); EXPECT_TRUE(success); EXPECT_EQ(cjson.error(), ""); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.atomCount(), static_cast(8)); EXPECT_EQ(molecule.bondCount(), static_cast(7)); Atom atom = molecule.atom(7); EXPECT_EQ(atom.atomicNumber(), static_cast(1)); EXPECT_EQ(atom.position3d().x(), -1.184988); EXPECT_EQ(atom.position3d().y(), 0.004424); EXPECT_EQ(atom.position3d().z(), -0.987522); Bond bond = molecule.bond(0); EXPECT_EQ(bond.atom1().index(), static_cast(0)); EXPECT_EQ(bond.atom2().index(), static_cast(1)); EXPECT_EQ(bond.order(), static_cast(1)); } avogadrolibs-1.100.0/tests/io/cmltest.cpp000066400000000000000000000164041474375334400203000ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "iotests.h" #include #include #include #include #include using Avogadro::MatrixX; using Avogadro::Real; using Avogadro::Vector3; using Avogadro::Core::Atom; using Avogadro::Core::Bond; using Avogadro::Core::Molecule; using Avogadro::Core::Variant; using Avogadro::Io::CmlFormat; TEST(CmlTest, readFile) { CmlFormat cml; Molecule molecule; cml.readFile(std::string(AVOGADRO_DATA) + "/data/ethane.cml", molecule); EXPECT_EQ(molecule.data("name").type(), Variant::String); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.data("inchi").type(), Variant::String); EXPECT_EQ(molecule.data("inchi").toString(), "1/C2H6/c1-2/h1-2H3"); } TEST(CmlTest, atoms) { CmlFormat cml; Molecule molecule; cml.readFile(std::string(AVOGADRO_DATA) + "/data/ethane.cml", molecule); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.atomCount(), static_cast(8)); Atom atom = molecule.atom(0); EXPECT_EQ(atom.atomicNumber(), static_cast(1)); atom = molecule.atom(1); EXPECT_EQ(atom.atomicNumber(), static_cast(6)); EXPECT_EQ(atom.position3d().x(), 0.751621); EXPECT_EQ(atom.position3d().y(), -0.022441); EXPECT_EQ(atom.position3d().z(), -0.020839); atom = molecule.atom(7); EXPECT_EQ(atom.atomicNumber(), static_cast(1)); EXPECT_EQ(atom.position3d().x(), -1.184988); EXPECT_EQ(atom.position3d().y(), 0.004424); EXPECT_EQ(atom.position3d().z(), -0.987522); } TEST(CmlTest, bonds) { CmlFormat cml; Molecule molecule; cml.readFile(std::string(AVOGADRO_DATA) + "/data/ethane.cml", molecule); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.atomCount(), static_cast(8)); EXPECT_EQ(molecule.bondCount(), static_cast(7)); Bond bond = molecule.bond(0); EXPECT_EQ(bond.atom1().index(), static_cast(0)); EXPECT_EQ(bond.atom2().index(), static_cast(1)); EXPECT_EQ(bond.order(), static_cast(1)); bond = molecule.bond(6); EXPECT_EQ(bond.atom1().index(), static_cast(4)); EXPECT_EQ(bond.atom2().index(), static_cast(7)); EXPECT_EQ(bond.order(), static_cast(1)); } TEST(CmlTest, fractionalCoords) { std::string cmlStr( "" "" "" "5.3" "2.4" "1.8" "85.000000" "90.000000" "105.000000" "" "" "" "" ""); CmlFormat cml; Molecule molecule; cml.readString(cmlStr, molecule); ASSERT_EQ(1, molecule.atomCount()); Atom atom = molecule.atom(0); EXPECT_EQ(1, atom.atomicNumber()); EXPECT_TRUE(atom.position3d().isApprox(Vector3(static_cast(2.33942), static_cast(1.24032), static_cast(0.89633)), 1e-5)); cmlStr.clear(); cml.writeString(cmlStr, molecule); std::cout << cmlStr << std::endl; EXPECT_TRUE(cmlStr.find("5.3" "") != std::string::npos); EXPECT_TRUE(cmlStr.find("2.4" "") != std::string::npos); EXPECT_TRUE(cmlStr.find("1.8" "") != std::string::npos); EXPECT_TRUE(cmlStr.find("85" "") != std::string::npos); EXPECT_TRUE(cmlStr.find("90" "") != std::string::npos); EXPECT_TRUE(cmlStr.find("105" "") != std::string::npos); EXPECT_TRUE(cmlStr.find("xFract=\"0.5\"") != std::string::npos); EXPECT_TRUE(cmlStr.find("yFract=\"0.5\"") != std::string::npos); EXPECT_TRUE(cmlStr.find("zFract=\"0.5\"") != std::string::npos); } TEST(CmlTest, saveFile) { CmlFormat cml; Molecule readMol, writeMol; cml.readFile(std::string(AVOGADRO_DATA) + "/data/ethane.cml", readMol); cml.writeFile("ethanetmp.cml", readMol); // Now read the file back in and check a few key values are still present. cml.readFile("ethanetmp.cml", writeMol); EXPECT_EQ(writeMol.data("name").toString(), "Ethane"); EXPECT_EQ(writeMol.atomCount(), static_cast(8)); EXPECT_EQ(writeMol.bondCount(), static_cast(7)); Atom atom = writeMol.atom(7); EXPECT_EQ(atom.atomicNumber(), static_cast(1)); EXPECT_EQ(atom.position3d().x(), -1.18499); EXPECT_EQ(atom.position3d().y(), 0.004424); EXPECT_EQ(atom.position3d().z(), -0.987522); Bond bond = writeMol.bond(0); EXPECT_EQ(bond.atom1().index(), static_cast(0)); EXPECT_EQ(bond.atom2().index(), static_cast(1)); EXPECT_EQ(bond.order(), static_cast(1)); } TEST(CmlTest, hdf5Matrix) { CmlFormat cml; Molecule molecule; cml.readFile(std::string(AVOGADRO_DATA) + "/data/ethane.cml", molecule); molecule.setData("name", "ethanol"); MatrixX matrix(10, 12); for (int row = 0; row < matrix.rows(); ++row) for (int col = 0; col < matrix.cols(); ++col) matrix(row, col) = row + col / static_cast(matrix.cols()); molecule.setData("matrix", matrix); cml.writeFile("ethane.cml", molecule); Molecule readMolecule; cml.readFile("ethane.cml", readMolecule); if (readMolecule.data("matrix").type() == Variant::Matrix) EXPECT_TRUE(readMolecule.data("matrix").toMatrixRef().isApprox(matrix)); EXPECT_EQ(readMolecule.data("name").toString(), std::string("ethanol")); } TEST(CmlTest, writeString) { CmlFormat cml; Molecule molecule; EXPECT_EQ( cml.readFile(std::string(AVOGADRO_DATA) + "/data/ethane.cml", molecule), true); std::string file; EXPECT_EQ(cml.writeString(file, molecule), true); } TEST(CmlTest, readString) { CmlFormat cml; Molecule molecule; EXPECT_EQ( cml.readFile(std::string(AVOGADRO_DATA) + "/data/ethane.cml", molecule), true); std::string file; EXPECT_EQ(cml.writeString(file, molecule), true); Molecule moleculeFromString; EXPECT_EQ(cml.readString(file, moleculeFromString), true); EXPECT_EQ(moleculeFromString.data("name").toString(), "Ethane"); EXPECT_EQ(moleculeFromString.atomCount(), static_cast(8)); EXPECT_EQ(moleculeFromString.bondCount(), static_cast(7)); } avogadrolibs-1.100.0/tests/io/fileformatmanagertest.cpp000066400000000000000000000213511474375334400232050ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "iotests.h" #include #include #include #include using Avogadro::Core::Atom; using Avogadro::Core::Bond; using Avogadro::Core::Molecule; using Avogadro::Core::Variant; using Avogadro::Io::FileFormat; using Avogadro::Io::FileFormatManager; TEST(FileFormatManagerTest, readFile) { FileFormat* format = FileFormatManager::instance().newFormatFromIdentifier("Avogadro: CML"); EXPECT_TRUE(format != nullptr); if (!format) return; Molecule molecule; format->readFile(std::string(AVOGADRO_DATA) + "/data/ethane.cml", molecule); delete format; format = nullptr; EXPECT_EQ(molecule.data("name").type(), Variant::String); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.data("inchi").type(), Variant::String); EXPECT_EQ(molecule.data("inchi").toString(), "1/C2H6/c1-2/h1-2H3"); } TEST(FileFormatManagerTest, identifiers) { std::vector ids = FileFormatManager::instance().identifiers(); std::cout << "FileFormatManager has loaded " << ids.size() << " formats.\n"; for (size_t i = 0; i < ids.size(); ++i) std::cout << i << ": " << ids[i] << std::endl; std::vector mimes = FileFormatManager::instance().mimeTypes(); std::cout << "\nMIME types supported:\n"; for (size_t i = 0; i < mimes.size(); ++i) std::cout << "\t" << mimes[i] << std::endl; std::vector extensions = FileFormatManager::instance().fileExtensions(); std::cout << "\nFile extensions supported:\n"; for (size_t i = 0; i < extensions.size(); ++i) std::cout << "\t" << extensions[i] << std::endl; } TEST(FileFormatManagerTest, readFileGuessCml) { Molecule molecule; FileFormatManager::instance().readFile(molecule, std::string(AVOGADRO_DATA) + "/data/ethane.cml"); EXPECT_EQ(molecule.data("name").type(), Variant::String); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.data("inchi").type(), Variant::String); EXPECT_EQ(molecule.data("inchi").toString(), "1/C2H6/c1-2/h1-2H3"); } TEST(FileFormatManagerTest, readFileGuessCjson) { Molecule molecule; FileFormatManager::instance().readFile(molecule, std::string(AVOGADRO_DATA) + "/data/ethane.cjson"); EXPECT_EQ(molecule.data("name").type(), Variant::String); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.data("inchi").type(), Variant::String); EXPECT_EQ(molecule.data("inchi").toString(), "1/C2H6/c1-2/h1-2H3"); } TEST(FileFormatManagerTest, writeFileGuessCml) { Molecule readMol, writeMol; FileFormatManager::instance().readFile(readMol, std::string(AVOGADRO_DATA) + "/data/ethane.cml"); FileFormatManager::instance().writeFile(readMol, "ethanemanagertmp.cml"); // Now read the file back in and check a few key values are still present. FileFormatManager::instance().readFile(writeMol, "ethanemanagertmp.cml"); EXPECT_EQ(writeMol.data("name").toString(), "Ethane"); EXPECT_EQ(writeMol.atomCount(), static_cast(8)); EXPECT_EQ(writeMol.bondCount(), static_cast(7)); Atom atom = writeMol.atom(7); EXPECT_EQ(atom.atomicNumber(), static_cast(1)); EXPECT_EQ(atom.position3d().x(), -1.18499); EXPECT_EQ(atom.position3d().y(), 0.004424); EXPECT_EQ(atom.position3d().z(), -0.987522); Bond bond = writeMol.bond(0); EXPECT_EQ(bond.atom1().index(), static_cast(0)); EXPECT_EQ(bond.atom2().index(), static_cast(1)); EXPECT_EQ(bond.order(), static_cast(1)); } TEST(FileFormatManagerTest, writeStringCjson) { Molecule molecule; FileFormatManager::instance().readFile(molecule, std::string(AVOGADRO_DATA) + "/data/ethane.cjson"); std::string cjson; FileFormatManager::instance().writeString(molecule, cjson, "cjson"); std::string cml; FileFormatManager::instance().writeString(molecule, cml, "cml"); std::cout << cjson << std::endl; std::cout << cml << std::endl; // See if they still have data in them now they have gone back and forth... Molecule cmlMol, cjsonMol; FileFormatManager::instance().readString(cjsonMol, cjson, "cjson"); FileFormatManager::instance().readString(cmlMol, cml, "cml"); EXPECT_EQ(cjsonMol.data("name").type(), Variant::String); EXPECT_EQ(cjsonMol.data("name").toString(), "Ethane"); EXPECT_EQ(cjsonMol.data("inchi").type(), Variant::String); EXPECT_EQ(cjsonMol.data("inchi").toString(), "1/C2H6/c1-2/h1-2H3"); EXPECT_EQ(cmlMol.data("name").type(), Variant::String); EXPECT_EQ(cmlMol.data("name").toString(), "Ethane"); EXPECT_EQ(cmlMol.data("inchi").type(), Variant::String); EXPECT_EQ(cmlMol.data("inchi").toString(), "1/C2H6/c1-2/h1-2H3"); } TEST(FileFormatManagerTest, writeStringCjsonOptions) { Molecule molecule; std::string options = "{ \"properties\": false }"; FileFormatManager::instance().readFile(molecule, std::string(AVOGADRO_DATA) + "/data/ethane.cjson"); std::string cjson; FileFormatManager::instance().writeString(molecule, cjson, "cjson", options); std::cout << cjson << std::endl; // See if they still have data in them now they have gone back and forth... Molecule cjsonMol; FileFormatManager::instance().readString(cjsonMol, cjson, "cjson"); // If the option was respected these should now be empty. EXPECT_EQ(cjsonMol.data("name").type(), Variant::Null); EXPECT_EQ(cjsonMol.data("name").toString(), ""); EXPECT_EQ(cjsonMol.data("inchi").type(), Variant::Null); EXPECT_EQ(cjsonMol.data("inchi").toString(), ""); } class Format : public FileFormat { private: Operations m_ops; std::string m_ident; public: Format(const std::string& ident, Operations ops) : FileFormat(), m_ops(ops), m_ident(ident) { } Operations supportedOperations() const override { return m_ops; } bool read(std::istream&, Molecule&) override { return false; } bool write(std::ostream&, const Molecule&) override { return false; } FileFormat* newInstance() const override { return new Format(m_ident, m_ops); } std::string identifier() const override { return m_ident; } std::string name() const override { return m_ident; } std::string description() const override { return m_ident; } std::string specificationUrl() const override { return ""; } std::vector fileExtensions() const override { std::vector result; result.push_back("asdfjkl;"); return result; } std::vector mimeTypes() const override { std::vector result; result.push_back("chemical/x-doodie"); return result; } }; TEST(FileFormatManagerTest, filtering) { // Add formats with various supported operations Format readOnly("readOnly", Format::All ^ Format::Write); Format writeOnly("writeOnly", Format::All ^ Format::Read); FileFormatManager::registerFormat(readOnly.newInstance()); FileFormatManager::registerFormat(writeOnly.newInstance()); FileFormatManager& manager = FileFormatManager::instance(); FileFormat* format = nullptr; format = manager.newFormatFromFileExtension("asdfjkl;", Format::Read); ASSERT_TRUE(format != nullptr); EXPECT_EQ(format->identifier(), std::string("readOnly")); delete format; format = manager.newFormatFromFileExtension("asdfjkl;", Format::Write); ASSERT_TRUE(format != nullptr); EXPECT_EQ(format->identifier(), std::string("writeOnly")); delete format; format = manager.newFormatFromMimeType("chemical/x-doodie", Format::Write); ASSERT_TRUE(format != nullptr); EXPECT_EQ(format->identifier(), std::string("writeOnly")); delete format; format = manager.newFormatFromMimeType("chemical/x-doodie", Format::Read); ASSERT_TRUE(format != nullptr); EXPECT_EQ(format->identifier(), std::string("readOnly")); delete format; } TEST(FileFormatManagerTest, unregister) { Format testFormat("testingFormat", FileFormat::All); FileFormatManager::registerFormat(testFormat.newInstance()); FileFormatManager& manager = FileFormatManager::instance(); FileFormat* format = manager.newFormatFromIdentifier("testingFormat"); ASSERT_TRUE(format != nullptr); EXPECT_EQ(format->identifier(), std::string("testingFormat")); delete format; EXPECT_TRUE(FileFormatManager::unregisterFormat("testingFormat")); format = manager.newFormatFromIdentifier("testingFormat"); ASSERT_TRUE(format == nullptr); } avogadrolibs-1.100.0/tests/io/fuzztest.cpp000066400000000000000000000014711474375334400205210ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include using Avogadro::Core::Molecule; using Avogadro::Io::FileFormatManager; // FUZZ_INPUT_FORMAT is defined in the build system // e.g., "cjson", "sdf", "xyz", etc. extern "C" int LLVMFuzzerTestOneInput(const uint8_t* Data, size_t Size) { std::string input(reinterpret_cast(Data), Size); Molecule molecule; FileFormatManager::instance().readString(molecule, input, FUZZ_INPUT_FORMAT); return 0; } avogadrolibs-1.100.0/tests/io/hdf5test.cpp000066400000000000000000000221231474375334400203460ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "iotests.h" #include #include #include using Avogadro::Io::Hdf5DataFormat; namespace { bool fileExists(const char* filename) { FILE* handle = fopen(filename, "r"); if (handle != nullptr) { fclose(handle); return true; } return false; } } // namespace TEST(Hdf5Test, openCloseReadOnly) { Hdf5DataFormat hdf5; std::string testfile = std::string(AVOGADRO_DATA) + "/data/hdf5file.h5"; ASSERT_TRUE(fileExists(testfile.c_str())); ASSERT_TRUE(hdf5.openFile(testfile.c_str(), Hdf5DataFormat::ReadOnly)) << "Failed to open " << testfile << " in read-only mode."; std::vector refDatasets; refDatasets.resize(3); refDatasets[0] = "Data"; refDatasets[1] = "Group1/Group2/Data"; refDatasets[2] = "Test/MoleculeData/Matrix1"; std::vector datasets = hdf5.datasets(); EXPECT_EQ(refDatasets.size(), datasets.size()) << "Unexpected list of datasets: Bad size."; if (refDatasets.size() == datasets.size()) { for (size_t i = 0; i < datasets.size(); ++i) { EXPECT_EQ(refDatasets[i], datasets[i]) << "Unexpected list of datasets: Mismatch at index " << i << "."; } } ASSERT_TRUE(hdf5.closeFile()) << "Failed to close read-only file " << testfile << "."; } TEST(Hdf5Test, openCloseReadWriteAppend) { Hdf5DataFormat hdf5; std::string testfile = std::string(AVOGADRO_DATA) + "/data/hdf5file.h5"; ASSERT_TRUE(fileExists(testfile.c_str())); ASSERT_TRUE(hdf5.openFile(testfile.c_str(), Hdf5DataFormat::ReadWriteAppend)) << "Failed to open " << testfile << " in read-write (append) mode."; std::vector refDatasets; refDatasets.resize(3); refDatasets[0] = "Data"; refDatasets[1] = "Group1/Group2/Data"; refDatasets[2] = "Test/MoleculeData/Matrix1"; std::vector datasets = hdf5.datasets(); EXPECT_EQ(refDatasets.size(), datasets.size()) << "Unexpected list of datasets: Bad size."; if (refDatasets.size() == datasets.size()) { for (size_t i = 0; i < datasets.size(); ++i) { EXPECT_EQ(refDatasets[i], datasets[i]) << "Unexpected list of datasets: Mismatch at index " << i << "."; } } ASSERT_TRUE(hdf5.closeFile()) << "Failed to close read-only file " << testfile << "."; } TEST(Hdf5Test, readWriteEigenMatrixXd) { std::string tmpFileName("Hdf5Test_readWriteEigenMatrixXd.hdf"); Hdf5DataFormat hdf5; ASSERT_TRUE(hdf5.openFile(tmpFileName, Hdf5DataFormat::ReadWriteTruncate)) << "Opening test file '" << tmpFileName << "' failed."; Eigen::MatrixXd mat(10, 10); for (int row = 0; row < 10; ++row) { for (int col = 0; col < 10; ++col) { mat(row, col) = row * col * col + row + col; } } EXPECT_TRUE(hdf5.writeDataset("/Group1/Group2/Data", mat)) << "Writing Eigen::MatrixXd failed."; Eigen::MatrixXd matRead; EXPECT_TRUE(hdf5.readDataset("/Group1/Group2/Data", matRead)) << "Reading Eigen::MatrixXd failed."; EXPECT_TRUE(mat.isApprox(matRead)) << "Matrix read does not match matrix written.\nWritten:\n" << mat << "\nRead:\n" << matRead; ASSERT_TRUE(hdf5.closeFile()) << "Closing test file '" << tmpFileName << "' failed."; remove(tmpFileName.c_str()); } TEST(Hdf5Test, readWriteDoubleVector) { std::string tmpFileName("Hdf5Test_readWriteDoubleVector.hdf"); Hdf5DataFormat hdf5; ASSERT_TRUE(hdf5.openFile(tmpFileName, Hdf5DataFormat::ReadWriteTruncate)) << "Opening test file '" << tmpFileName << "' failed."; std::vector vec(100); size_t dims[2] = { 10, 10 }; for (int i = 0; i < 100; ++i) vec[i] = i / 10.0 + i / 5.0; EXPECT_TRUE(hdf5.writeDataset("/Group1/Group2/Data", vec, 2, dims)) << "Writing std::vector failed."; std::vector vecRead; std::vector readDims = hdf5.readDataset("/Group1/Group2/Data", vecRead); EXPECT_EQ(readDims.size(), static_cast(2)) << "Reading std::vector failed: Invalid number of dimensions."; EXPECT_EQ(readDims.at(0), static_cast(10)) << "Reading std::vector failed: First dimension invalid."; EXPECT_EQ(readDims.at(1), static_cast(10)) << "Reading std::vector failed: Second dimension invalid."; for (size_t i = 0; i < 100; ++i) { EXPECT_EQ(vec[i], vecRead[i]) << "std::vector read/write mismatch at index " << i << "."; } ASSERT_TRUE(hdf5.closeFile()) << "Closing test file '" << tmpFileName << "' failed."; remove(tmpFileName.c_str()); } TEST(Hdf5Test, thresholds) { Hdf5DataFormat hdf5; size_t threshold = 12; hdf5.setThreshold(threshold); EXPECT_EQ(hdf5.threshold(), threshold); EXPECT_FALSE(hdf5.exceedsThreshold(threshold - 1)) << "Bad threshold check result for small data."; EXPECT_FALSE(hdf5.exceedsThreshold(threshold)) << "Bad threshold check result for data at threshold limit."; EXPECT_TRUE(hdf5.exceedsThreshold(threshold + 1)) << "Bad threshold check result for large data."; int numDoubles = static_cast(threshold / sizeof(double)); EXPECT_FALSE(hdf5.exceedsThreshold(Eigen::MatrixXd(1, numDoubles - 1))) << "Bad threshold check result for small data."; EXPECT_FALSE(hdf5.exceedsThreshold(Eigen::MatrixXd(1, numDoubles))) << "Bad threshold check result for data at threshold limit."; EXPECT_TRUE(hdf5.exceedsThreshold(Eigen::MatrixXd(1, numDoubles + 1))) << "Bad threshold check result for large data."; EXPECT_FALSE(hdf5.exceedsThreshold(std::vector(numDoubles - 1))) << "Bad threshold check result for small data."; EXPECT_FALSE(hdf5.exceedsThreshold(std::vector(numDoubles))) << "Bad threshold check result for data at threshold limit."; EXPECT_TRUE(hdf5.exceedsThreshold(std::vector(numDoubles + 1))) << "Bad threshold check result for large data."; } TEST(Hdf5Test, datasetInteraction) { std::string tmpFileName("Hdf5Test_datasetInteraction.hdf"); Hdf5DataFormat hdf5; ASSERT_TRUE(hdf5.openFile(tmpFileName, Hdf5DataFormat::ReadWriteTruncate)) << "Opening test file '" << tmpFileName << "' failed."; Eigen::MatrixXd mat(1, 1); mat(0, 0) = 0.0; std::vector vec(27); int ndim_vec = 3; size_t dims_vec[3] = { 3, 3, 3 }; EXPECT_TRUE(hdf5.writeDataset("/TLDData", vec, ndim_vec, dims_vec)) << "Writing Eigen::MatrixXd failed."; EXPECT_TRUE(hdf5.writeDataset("/Group1/DeeperData", mat)) << "Writing Eigen::MatrixXd failed."; EXPECT_TRUE(hdf5.writeDataset("/Group1/Group2/EvenDeeperData", mat)) << "Writing Eigen::MatrixXd failed."; EXPECT_TRUE(hdf5.writeDataset("/Group1/DeeperDataSibling", mat)) << "Writing Eigen::MatrixXd failed."; EXPECT_TRUE(hdf5.writeDataset("/Group1/Group2a/Grandchild", mat)) << "Writing Eigen::MatrixXd failed."; EXPECT_TRUE( hdf5.writeDataset("/Group1/Group2a/Group3/Group4/Group5/Deeeep", mat)) << "Writing Eigen::MatrixXd failed."; EXPECT_TRUE(hdf5.writeDataset("/TLDataSibling", mat)) << "Writing Eigen::MatrixXd failed."; std::vector refDatasets; refDatasets.resize(7); refDatasets[0] = "Group1/DeeperData"; refDatasets[1] = "Group1/DeeperDataSibling"; refDatasets[2] = "Group1/Group2/EvenDeeperData"; refDatasets[3] = "Group1/Group2a/Grandchild"; refDatasets[4] = "Group1/Group2a/Group3/Group4/Group5/Deeeep"; refDatasets[5] = "TLDData"; refDatasets[6] = "TLDataSibling"; std::vector datasets = hdf5.datasets(); EXPECT_EQ(refDatasets.size(), datasets.size()) << "Unexpected list of datasets: Bad size."; if (refDatasets.size() == datasets.size()) { for (size_t i = 0; i < datasets.size(); ++i) { EXPECT_EQ(refDatasets[i], datasets[i]) << "Unexpected list of datasets: Mismatch at index " << i << "."; } } EXPECT_FALSE(hdf5.datasetExists("/IShouldNotExist")) << "Non-existing dataset reported as found."; std::vector dim = hdf5.datasetDimensions("/Group1/DeeperData"); EXPECT_EQ(dim.size(), static_cast(2)) << "Wrong dimensionality returned."; EXPECT_EQ(dim[0], static_cast(1)) << "Wrong dimensionality returned."; EXPECT_EQ(dim[1], static_cast(1)) << "Wrong dimensionality returned."; dim = hdf5.datasetDimensions("/TLDData"); EXPECT_EQ(dim.size(), static_cast(ndim_vec)) << "Wrong dimensionality returned."; for (int i = 0; i < ndim_vec; ++i) { EXPECT_EQ(dim[i], dims_vec[i]) << "Wrong dimensionality returned at " << i; } for (size_t i = 0; i < refDatasets.size(); ++i) { const std::string& str = refDatasets[i]; EXPECT_TRUE(hdf5.datasetExists(str)) << "Data set should exist, but isn't found: " << str; EXPECT_TRUE(hdf5.removeDataset(str)) << "Error removing dataset " << str; EXPECT_FALSE(hdf5.datasetExists(str)) << "Removed dataset still exists: " << str; } ASSERT_TRUE(hdf5.closeFile()) << "Closing test file '" << tmpFileName << "' failed."; remove(tmpFileName.c_str()); } avogadrolibs-1.100.0/tests/io/iotests.h.in000066400000000000000000000001751474375334400203670ustar00rootroot00000000000000#ifndef AVOGADRO_IOTESTS_H #define AVOGADRO_IOTESTS_H #define AVOGADRO_DATA "@AVOGADRO_DATA@" #endif // AVOGADRO_IOTESTS_H avogadrolibs-1.100.0/tests/io/lammpstest.cpp000066400000000000000000000074611474375334400210210ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "iotests.h" #include #include #include #include #include #include #include #include #include using Avogadro::Vector3; using Avogadro::Core::Atom; using Avogadro::Core::Molecule; using Avogadro::Core::UnitCell; using Avogadro::Io::FileFormat; using Avogadro::Io::LammpsTrajectoryFormat; TEST(LammpsTest, read) { LammpsTrajectoryFormat multi; multi.open(AVOGADRO_DATA "/data/silicon_bulk.dump", FileFormat::Read | FileFormat::MultiMolecule); Molecule molecule, molecule2; // Read in the structure. EXPECT_TRUE(multi.readMolecule(molecule)); ASSERT_EQ(multi.error(), ""); // First, let's check the unit cell UnitCell* uc = molecule.unitCell(); bool status = true; EXPECT_EQ(uc->aVector(), Vector3(2.7155000000000001e+01, 0.00000000, 0.00000000)); EXPECT_EQ(uc->bVector(), Vector3(0.00000000, 2.7155000000000001e+01, 0.00000000)); EXPECT_EQ(uc->cVector(), Vector3(0.00000000, 0.00000000, 2.7155000000000001e+01)); // Check that the number of atoms per step and number of steps in the // trajectory were read correctly EXPECT_EQ(molecule.atomCount(), 1000); EXPECT_EQ(molecule.coordinate3dCount(), 11); // First frame EXPECT_EQ(molecule.timeStep(0, status), 0); // Check a couple of positions to make sure they were read correctly EXPECT_EQ(molecule.atom(1).position3d().x(), 1.35775); EXPECT_EQ(molecule.atom(1).position3d().y(), 1.35775); EXPECT_EQ(molecule.atom(1).position3d().z(), 1.35775); EXPECT_EQ(molecule.atom(4).position3d().x(), 10.862); EXPECT_EQ(molecule.atom(4).position3d().y(), 0); EXPECT_EQ(molecule.atom(4).position3d().z(), 0); // Switching to second frame EXPECT_TRUE(molecule.setCoordinate3d(1)); EXPECT_EQ(molecule.timeStep(1, status), 10); // Check a couple of positions to make sure they were read correctly EXPECT_EQ(molecule.atom(1).position3d().x(), 1.34317); EXPECT_EQ(molecule.atom(1).position3d().y(), 1.30464); EXPECT_EQ(molecule.atom(1).position3d().z(), 1.42722); EXPECT_EQ(molecule.atom(4).position3d().x(), 10.7867); EXPECT_EQ(molecule.atom(4).position3d().y(), -0.0484348); EXPECT_EQ(molecule.atom(4).position3d().z(), -0.0809766); // Switching to last frame EXPECT_TRUE(molecule.setCoordinate3d(10)); EXPECT_EQ(molecule.timeStep(10, status), 100); // Check a couple of positions to make sure they were read correctly EXPECT_EQ(molecule.atom(1).position3d().x(), 1.37614); EXPECT_EQ(molecule.atom(1).position3d().y(), 1.34302); EXPECT_EQ(molecule.atom(1).position3d().z(), 1.39375); EXPECT_EQ(molecule.atom(4).position3d().x(), 10.6846); EXPECT_EQ(molecule.atom(4).position3d().y(), -0.0479311); EXPECT_EQ(molecule.atom(4).position3d().z(), -0.0770097); } TEST(LammpsTest, modes) { // This tests some of the mode setting/checking code LammpsTrajectoryFormat format; format.open(AVOGADRO_DATA "/data/silicon_bulk.dump", FileFormat::Read); EXPECT_TRUE(format.isMode(FileFormat::Read)); EXPECT_TRUE(format.mode() & FileFormat::Read); EXPECT_FALSE(format.isMode(FileFormat::Write)); // Try some combinations now. format.open(AVOGADRO_DATA "/data/silicon_bulk.dump", FileFormat::Read | FileFormat::MultiMolecule); EXPECT_TRUE(format.isMode(FileFormat::Read)); EXPECT_TRUE(format.isMode(FileFormat::Read | FileFormat::MultiMolecule)); EXPECT_TRUE(format.isMode(FileFormat::MultiMolecule)); } avogadrolibs-1.100.0/tests/io/mdltest.cpp000066400000000000000000000157021474375334400203010ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "iotests.h" #include #include #include using Avogadro::Core::Atom; using Avogadro::Core::Bond; using Avogadro::Core::Molecule; using Avogadro::Core::Variant; using Avogadro::Io::FileFormat; using Avogadro::Io::MdlFormat; TEST(MdlTest, readFile) { MdlFormat mdl; Molecule molecule; bool success = mdl.readFile(std::string(AVOGADRO_DATA) + "/data/ethane.mol", molecule); EXPECT_TRUE(success); EXPECT_EQ(mdl.error(), ""); EXPECT_EQ(molecule.data("name").type(), Variant::String); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); } TEST(MdlTest, atoms) { MdlFormat mdl; Molecule molecule; bool success = mdl.readFile(std::string(AVOGADRO_DATA) + "/data/ethane.mol", molecule); EXPECT_TRUE(success); EXPECT_EQ(mdl.error(), ""); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.atomCount(), static_cast(8)); Atom atom = molecule.atom(0); EXPECT_EQ(atom.atomicNumber(), static_cast(1)); atom = molecule.atom(1); EXPECT_EQ(atom.atomicNumber(), static_cast(6)); EXPECT_DOUBLE_EQ(atom.position3d().x(), 0.7516); EXPECT_DOUBLE_EQ(atom.position3d().y(), -0.0224); EXPECT_DOUBLE_EQ(atom.position3d().z(), -0.0208); atom = molecule.atom(7); EXPECT_EQ(atom.atomicNumber(), static_cast(1)); EXPECT_DOUBLE_EQ(atom.position3d().x(), -1.1850); EXPECT_DOUBLE_EQ(atom.position3d().y(), 0.0044); EXPECT_DOUBLE_EQ(atom.position3d().z(), -0.9875); } TEST(MdlTest, bonds) { MdlFormat mdl; Molecule molecule; bool success = mdl.readFile(std::string(AVOGADRO_DATA) + "/data/ethane.mol", molecule); EXPECT_TRUE(success); EXPECT_EQ(mdl.error(), ""); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.atomCount(), static_cast(8)); EXPECT_EQ(molecule.bondCount(), static_cast(7)); Bond bond = molecule.bond(0); EXPECT_EQ(bond.atom1().index(), static_cast(0)); EXPECT_EQ(bond.atom2().index(), static_cast(1)); EXPECT_EQ(bond.order(), static_cast(1)); bond = molecule.bond(6); EXPECT_EQ(bond.atom1().index(), static_cast(4)); EXPECT_EQ(bond.atom2().index(), static_cast(7)); EXPECT_EQ(bond.order(), static_cast(1)); } TEST(MdlTest, saveFile) { MdlFormat mdl; Molecule savedMolecule, molecule; bool success = mdl.readFile(std::string(AVOGADRO_DATA) + "/data/ethane.mol", savedMolecule); EXPECT_TRUE(success); EXPECT_EQ(mdl.error(), ""); success = mdl.writeFile("ethanetmp.mol", savedMolecule); EXPECT_TRUE(success); EXPECT_EQ(mdl.error(), ""); // Now read the file back in and check a few key values are still present. success = mdl.readFile("ethanetmp.mol", molecule); EXPECT_TRUE(success); EXPECT_EQ(mdl.error(), ""); EXPECT_EQ(molecule.data("name").toString(), "Ethane"); EXPECT_EQ(molecule.atomCount(), static_cast(8)); EXPECT_EQ(molecule.bondCount(), static_cast(7)); Atom atom = molecule.atom(7); EXPECT_EQ(atom.atomicNumber(), static_cast(1)); EXPECT_DOUBLE_EQ(atom.position3d().x(), -1.1850); EXPECT_DOUBLE_EQ(atom.position3d().y(), 0.0044); EXPECT_DOUBLE_EQ(atom.position3d().z(), -0.9875); Bond bond = molecule.bond(0); EXPECT_EQ(bond.atom1().index(), static_cast(0)); EXPECT_EQ(bond.atom2().index(), static_cast(1)); EXPECT_EQ(bond.order(), static_cast(1)); } TEST(MdlTest, readMulti) { MdlFormat multi; multi.open(AVOGADRO_DATA "/data/multi.sdf", FileFormat::Read | FileFormat::MultiMolecule); Molecule molecule; // Read in the first structure. EXPECT_TRUE(multi.readMolecule(molecule)); ASSERT_EQ(multi.error(), ""); EXPECT_EQ(molecule.data("name").toString(), "Methane"); EXPECT_EQ(molecule.atomCount(), 5); EXPECT_EQ(molecule.bondCount(), 4); EXPECT_EQ(molecule.atom(0).atomicNumber(), 6); EXPECT_EQ(molecule.atom(1).atomicNumber(), 1); EXPECT_EQ(molecule.atom(2).atomicNumber(), 1); EXPECT_EQ(molecule.atom(3).atomicNumber(), 1); EXPECT_EQ(molecule.atom(4).atomicNumber(), 1); EXPECT_DOUBLE_EQ(molecule.atom(4).position3d().x(), -0.5134); EXPECT_DOUBLE_EQ(molecule.atom(4).position3d().y(), 0.8892); EXPECT_DOUBLE_EQ(molecule.atom(4).position3d().z(), -0.3630); // Now read in the second structure. Molecule molecule2; EXPECT_TRUE(multi.readMolecule(molecule2)); ASSERT_EQ(multi.error(), ""); EXPECT_EQ(molecule2.data("name").toString(), "Caffeine"); EXPECT_EQ(molecule2.atomCount(), 24); EXPECT_EQ(molecule2.bondCount(), 25); // Should return false when there are no more molecules to be read in. EXPECT_FALSE(multi.readMolecule(molecule)); } TEST(MdlTest, writeMulti) { MdlFormat multi; multi.open(AVOGADRO_DATA "/data/multi.sdf", FileFormat::Read | FileFormat::MultiMolecule); Molecule mol[2]; // Read in the two structures in the file. EXPECT_TRUE(multi.readMolecule(mol[0])); ASSERT_EQ(multi.error(), ""); EXPECT_TRUE(multi.readMolecule(mol[1])); ASSERT_EQ(multi.error(), ""); multi.close(); // Now attempt to write out a multi-molecule file. multi.open("multitmp.sdf", FileFormat::Write | FileFormat::MultiMolecule); multi.writeMolecule(mol[0]); multi.writeMolecule(mol[1]); multi.close(); // Finally, let's read them back in and check the basic properties match. multi.open("multitmp.sdf", FileFormat::Read | FileFormat::MultiMolecule); Molecule ref[2]; EXPECT_TRUE(multi.readMolecule(ref[0])); EXPECT_TRUE(multi.readMolecule(ref[1])); // Compare some properties and see if they made it all the way back to us. for (int i = 0; i < 2; ++i) { EXPECT_EQ(mol[i].data("name").toString(), ref[i].data("name").toString()); EXPECT_EQ(mol[i].atomCount(), ref[i].atomCount()); EXPECT_EQ(mol[i].bondCount(), ref[i].bondCount()); } } TEST(MdlTest, readSdfData) { MdlFormat multi; multi.open(AVOGADRO_DATA "/data/pubchem3.sdf", FileFormat::Read | FileFormat::MultiMolecule); Molecule mol[2]; EXPECT_TRUE(multi.readMolecule(mol[0])); EXPECT_TRUE(multi.readMolecule(mol[1])); // Check a few of the data parameters in the first few molecules. EXPECT_EQ( mol[0].data("PUBCHEM_IUPAC_INCHI").toString(), "InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3"); EXPECT_EQ(mol[0].data("PUBCHEM_OPENEYE_CAN_SMILES").toString(), "CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C"); EXPECT_EQ( mol[1].data("PUBCHEM_IUPAC_INCHI").toString(), "InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/p+1"); EXPECT_EQ(mol[1].data("PUBCHEM_OPENEYE_CAN_SMILES").toString(), "CC(=O)OC(CC(=O)O)C[N+](C)(C)C"); } avogadrolibs-1.100.0/tests/io/mmtftest.cpp000066400000000000000000000114031474375334400204620ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "iotests.h" #include #include #include #include #include #include #include using Avogadro::DEG_TO_RAD; using Avogadro::MatrixX; using Avogadro::Real; using Avogadro::Vector3; using Avogadro::Core::Atom; using Avogadro::Core::Bond; using Avogadro::Core::Molecule; using Avogadro::Core::Residue; using Avogadro::Core::Variant; using Avogadro::Io::MMTFFormat; TEST(MMTFTest, readFile) { MMTFFormat mmtf; Molecule molecule; mmtf.readFile(std::string(AVOGADRO_DATA) + "/data/4HHB.mmtf", molecule); EXPECT_EQ(molecule.data("name").type(), Variant::String); EXPECT_EQ(molecule.data("name").toString(), "THE CRYSTAL STRUCTURE OF HUMAN DEOXYHAEMOGLOBIN AT 1.74 ANGSTROMS " "RESOLUTION"); } TEST(MMTFTEST, unitCell) { MMTFFormat mmtf; Molecule molecule; mmtf.readFile(std::string(AVOGADRO_DATA) + "/data/4HHB.mmtf", molecule); auto cell = molecule.unitCell(); EXPECT_NEAR(cell->a(), 63.150, 1e-3); EXPECT_NEAR(cell->b(), 83.590, 1e-3); EXPECT_NEAR(cell->c(), 53.800, 1e-3); EXPECT_NEAR(cell->alpha(), 90.00 * DEG_TO_RAD, 1e-3); EXPECT_NEAR(cell->beta(), 99.34 * DEG_TO_RAD, 1e-3); EXPECT_NEAR(cell->gamma(), 90.00 * DEG_TO_RAD, 1e-3); } TEST(MMTFTest, atoms) { MMTFFormat mmtf; Molecule molecule; mmtf.readFile(std::string(AVOGADRO_DATA) + "/data/4HHB.mmtf", molecule); EXPECT_EQ(molecule.atomCount(), static_cast(4779)); Atom atom = molecule.atom(0); EXPECT_EQ(atom.atomicNumber(), static_cast(7)); EXPECT_NEAR(atom.position3d().x(), 6.204, 1e-3); EXPECT_NEAR(atom.position3d().y(), 16.869, 1e-3); EXPECT_NEAR(atom.position3d().z(), 4.854, 1e-3); // Random alpha carbon atom = molecule.atom(296); EXPECT_EQ(atom.atomicNumber(), static_cast(6)); EXPECT_NEAR(atom.position3d().x(), 10.167, 1e-3); EXPECT_NEAR(atom.position3d().y(), -7.889, 1e-3); EXPECT_NEAR(atom.position3d().z(), -16.138, 1e-3); // Final water atom = molecule.atom(4778); EXPECT_EQ(atom.atomicNumber(), static_cast(8)); EXPECT_NEAR(atom.position3d().x(), -1.263, 1e-3); EXPECT_NEAR(atom.position3d().y(), -2.837, 1e-3); EXPECT_NEAR(atom.position3d().z(), -21.251, 1e-3); } TEST(MMTFTest, bonds) { MMTFFormat mmtf; Molecule molecule; mmtf.readFile(std::string(AVOGADRO_DATA) + "/data/4HHB.mmtf", molecule); EXPECT_EQ(molecule.bondCount(), static_cast(4700)); // First nitrogen to alpha carbon Bond bond = molecule.bond(0); EXPECT_EQ(bond.atom1().index(), static_cast(0)); EXPECT_EQ(bond.atom2().index(), static_cast(1)); EXPECT_EQ(bond.order(), static_cast(1)); bond = molecule.bond(6); EXPECT_EQ(bond.atom1().index(), static_cast(7)); EXPECT_EQ(bond.atom2().index(), static_cast(8)); EXPECT_EQ(bond.order(), static_cast(1)); } TEST(MMTFTest, residues) { MMTFFormat mmtf; Molecule molecule; mmtf.readFile(std::string(AVOGADRO_DATA) + "/data/4HHB.mmtf", molecule); Residue& res = molecule.residue(0); EXPECT_EQ(res.residueId(), static_cast(1)); EXPECT_EQ(res.residueName(), "VAL"); EXPECT_EQ(res.residueAtoms().size(), static_cast(7)); // The last Heme Residue& res2 = molecule.residue(579); EXPECT_EQ(res2.residueId(), static_cast(148)); EXPECT_EQ(res2.residueName(), "HEM"); EXPECT_EQ(res2.residueAtoms().size(), static_cast(43)); // The first water Residue& res3 = molecule.residue(580); EXPECT_EQ(res3.residueId(), static_cast(143)); EXPECT_EQ(res3.residueName(), "HOH"); EXPECT_EQ(res3.residueAtoms().size(), static_cast(1)); } TEST(MMTFTest, AltLoc) { MMTFFormat mmtf; Molecule molecule; mmtf.readFile(std::string(AVOGADRO_DATA) + "/data/1FDT.mmtf", molecule); EXPECT_EQ(molecule.coordinate3dCount(), 2); EXPECT_FLOAT_EQ(molecule.atomPosition3d(270).x(), molecule.coordinate3d(1)[270].x()); EXPECT_FLOAT_EQ(molecule.atomPosition3d(270).y(), molecule.coordinate3d(1)[270].y()); EXPECT_FLOAT_EQ(molecule.atomPosition3d(270).z(), molecule.coordinate3d(1)[270].z()); EXPECT_TRUE( molecule.atomPosition3d(271).x() != molecule.coordinate3d(1)[271].x() || molecule.atomPosition3d(271).y() != molecule.coordinate3d(1)[271].y() || molecule.atomPosition3d(271).z() != molecule.coordinate3d(1)[271].z()); } avogadrolibs-1.100.0/tests/io/pdbtest.cpp000066400000000000000000000022321474375334400202640ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "iotests.h" #include #include #include using Avogadro::Core::Molecule; using Avogadro::Io::PdbFormat; TEST(PdbTest, altLoc) { PdbFormat pdb; Molecule molecule; pdb.readFile(std::string(AVOGADRO_DATA) + "/data/1FDT.pdb", molecule); EXPECT_EQ(molecule.coordinate3dCount(), 2); EXPECT_FLOAT_EQ(molecule.atomPosition3d(264).x(), molecule.coordinate3d(1)[264].x()); EXPECT_FLOAT_EQ(molecule.atomPosition3d(264).y(), molecule.coordinate3d(1)[264].y()); EXPECT_FLOAT_EQ(molecule.atomPosition3d(264).z(), molecule.coordinate3d(1)[264].z()); EXPECT_TRUE( molecule.atomPosition3d(265).x() != molecule.coordinate3d(1)[265].x() || molecule.atomPosition3d(265).y() != molecule.coordinate3d(1)[265].y() || molecule.atomPosition3d(265).z() != molecule.coordinate3d(1)[265].z() ); } avogadrolibs-1.100.0/tests/io/vasptest.cpp000066400000000000000000000155551474375334400205040ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "iotests.h" #include #include #include #include #include #include #include #include #include #include using Avogadro::Matrix3; using Avogadro::Vector3; using Avogadro::Core::Atom; using Avogadro::Core::Molecule; using Avogadro::Core::UnitCell; using Avogadro::Io::FileFormat; using Avogadro::Io::OutcarFormat; using Avogadro::Io::PoscarFormat; TEST(VaspTest, readPoscar) { PoscarFormat poscar; Molecule molecule; EXPECT_TRUE(poscar.readFile(AVOGADRO_DATA "/data/rutile.POSCAR", molecule)); ASSERT_EQ(poscar.error(), std::string()); // First, let's check the unit cell UnitCell* uc = molecule.unitCell(); EXPECT_EQ(uc->aVector(), Vector3(2.95812000, 0.00000000, 0.00000000)); EXPECT_EQ(uc->bVector(), Vector3(0.00000000, 4.59373000, 0.00000000)); EXPECT_EQ(uc->cVector(), Vector3(0.00000000, 0.00000000, 4.59373000)); // Check that the number of atoms and number of bonds were read correctly EXPECT_EQ(molecule.atomCount(), 6); EXPECT_EQ(molecule.bondCount(), 0); // Check that the symbols were read correctly EXPECT_EQ(molecule.atom(0).atomicNumber(), 8); EXPECT_EQ(molecule.atom(1).atomicNumber(), 8); EXPECT_EQ(molecule.atom(2).atomicNumber(), 8); EXPECT_EQ(molecule.atom(3).atomicNumber(), 8); EXPECT_EQ(molecule.atom(4).atomicNumber(), 22); EXPECT_EQ(molecule.atom(5).atomicNumber(), 22); // Check a couple of positions to make sure they were read correctly // Need to convert to Fractional Vector3 pos1 = uc->toFractional(molecule.atom(1).position3d()); Vector3 pos5 = uc->toFractional(molecule.atom(5).position3d()); EXPECT_DOUBLE_EQ(pos1.x(), 0.0); EXPECT_DOUBLE_EQ(pos1.y(), 0.6947); EXPECT_DOUBLE_EQ(pos1.z(), 0.6947); EXPECT_DOUBLE_EQ(pos5.x(), 0.5); EXPECT_DOUBLE_EQ(pos5.y(), 0.5); EXPECT_DOUBLE_EQ(pos5.z(), 0.5); } TEST(VaspTest, writePoscar) { PoscarFormat poscar; Molecule molecule; molecule.setData("name", "TiO2 rutile"); Matrix3 mat; mat.col(0) = Vector3(2.95812, 0.00000, 0.00000); // A mat.col(1) = Vector3(0.00000, 4.59373, 0.00000); // B mat.col(2) = Vector3(0.00000, 0.00000, 4.59373); // C UnitCell* uc = new UnitCell(mat); molecule.setUnitCell(uc); molecule.addAtom(8).setPosition3d( uc->toCartesian(Vector3(0.0, 0.3053, 0.3053))); molecule.addAtom(8).setPosition3d( uc->toCartesian(Vector3(0.0, 0.6947, 0.6947))); molecule.addAtom(8).setPosition3d( uc->toCartesian(Vector3(0.5, 0.1947, 0.8053))); molecule.addAtom(8).setPosition3d( uc->toCartesian(Vector3(0.5, 0.8053, 0.1947))); molecule.addAtom(22).setPosition3d(uc->toCartesian(Vector3(0.0, 0.0, 0.0))); molecule.addAtom(22).setPosition3d(uc->toCartesian(Vector3(0.5, 0.5, 0.5))); std::string output; EXPECT_TRUE(poscar.writeString(output, molecule)); // The output should be an exact match with the sample file. std::istringstream outputStream(output); std::ifstream refStream(AVOGADRO_DATA "/data/rutile.POSCAR"); char outputChar = '\0'; char refChar = '\0'; outputStream >> std::noskipws; refStream >> std::noskipws; bool checkedSomething = false; while ((outputStream >> outputChar) && (refStream >> refChar)) { ASSERT_EQ(refChar, outputChar); checkedSomething = true; } EXPECT_TRUE(checkedSomething); } TEST(VaspTest, PoscarModes) { // This tests some of the mode setting/checking code, not explicitly Poscar // but // a concrete implementation is required in order to test. PoscarFormat format; format.open(AVOGADRO_DATA "/data/rutile.POSCAR", FileFormat::Read); EXPECT_TRUE(format.isMode(FileFormat::Read)); EXPECT_TRUE(format.mode() & FileFormat::Read); EXPECT_FALSE(format.isMode(FileFormat::Write)); } TEST(VaspTest, readOutcar) { OutcarFormat multi; multi.open(AVOGADRO_DATA "/data/ti_bulk.OUTCAR", FileFormat::Read | FileFormat::MultiMolecule); Molecule molecule; // Read in the structure. EXPECT_TRUE(multi.readMolecule(molecule)); ASSERT_EQ(multi.error(), ""); // First, let's check the unit cell UnitCell* uc = molecule.unitCell(); EXPECT_EQ(uc->aVector(), Vector3(5.8783178329, 0.0000000000, 0.0000000000)); EXPECT_EQ(uc->bVector(), Vector3(-2.9391589165, 5.0907725749, 0.0000000000)); EXPECT_EQ(uc->cVector(), Vector3(0.0000000000, 0.0000000000, 9.2823419571)); // Check that the number of atoms per step and number of steps in the // trajectory were read correctly EXPECT_EQ(molecule.atomCount(), 16); EXPECT_EQ(molecule.coordinate3dCount(), 10); // Check a couple of positions to make sure they were read correctly EXPECT_EQ(molecule.atom(1).position3d().x(), -0.00000); EXPECT_EQ(molecule.atom(1).position3d().y(), 1.69693); EXPECT_EQ(molecule.atom(1).position3d().z(), 5.80146); EXPECT_EQ(molecule.atom(4).position3d().x(), 2.93916); EXPECT_EQ(molecule.atom(4).position3d().y(), 1.69693); EXPECT_EQ(molecule.atom(4).position3d().z(), 1.16029); // Switching to second frame EXPECT_TRUE(molecule.setCoordinate3d(1)); // Check a couple of positions to make sure they were read correctly EXPECT_EQ(molecule.atom(1).position3d().x(), -0.00091); EXPECT_EQ(molecule.atom(1).position3d().y(), 1.70362); EXPECT_EQ(molecule.atom(1).position3d().z(), 5.80402); EXPECT_EQ(molecule.atom(4).position3d().x(), 2.93439); EXPECT_EQ(molecule.atom(4).position3d().y(), 1.69969); EXPECT_EQ(molecule.atom(4).position3d().z(), 1.16202); // Switching to last frame EXPECT_TRUE(molecule.setCoordinate3d(9)); // Check a couple of positions to make sure they were read correctly EXPECT_EQ(molecule.atom(1).position3d().x(), -0.00813); EXPECT_EQ(molecule.atom(1).position3d().y(), 1.75426); EXPECT_EQ(molecule.atom(1).position3d().z(), 5.82452); EXPECT_EQ(molecule.atom(4).position3d().x(), 2.89744); EXPECT_EQ(molecule.atom(4).position3d().y(), 1.72157); EXPECT_EQ(molecule.atom(4).position3d().z(), 1.17499); } TEST(VaspTest, OutcarModes) { // This tests some of the mode setting/checking code OutcarFormat format; format.open(AVOGADRO_DATA "/data/ti_bulk.OUTCAR", FileFormat::Read); EXPECT_TRUE(format.isMode(FileFormat::Read)); EXPECT_TRUE(format.mode() & FileFormat::Read); EXPECT_FALSE(format.isMode(FileFormat::Write)); // Try some combinations now. format.open(AVOGADRO_DATA "/data/ti_bulk.OUTCAR", FileFormat::Read | FileFormat::MultiMolecule); EXPECT_TRUE(format.isMode(FileFormat::Read)); EXPECT_TRUE(format.isMode(FileFormat::Read | FileFormat::MultiMolecule)); EXPECT_TRUE(format.isMode(FileFormat::MultiMolecule)); } avogadrolibs-1.100.0/tests/io/xyztest.cpp000066400000000000000000000164741474375334400203660ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "iotests.h" #include #include #include #include #include #include #include #include using Avogadro::Vector3; using Avogadro::Core::Atom; using Avogadro::Core::Molecule; using Avogadro::Io::FileFormat; using Avogadro::Io::XyzFormat; // methane.xyz uses atomic symbols to identify atoms TEST(XyzTest, readAtomicSymbols) { XyzFormat xyz; Molecule molecule; EXPECT_TRUE(xyz.readFile(AVOGADRO_DATA "/data/methane.xyz", molecule)); ASSERT_EQ(xyz.error(), std::string()); EXPECT_EQ(molecule.atomCount(), 5); // Bond perception will result in 4 bonds EXPECT_EQ(molecule.bondCount(), 4); EXPECT_EQ(molecule.atom(0).atomicNumber(), 6); EXPECT_EQ(molecule.atom(1).atomicNumber(), 1); EXPECT_EQ(molecule.atom(2).atomicNumber(), 1); EXPECT_EQ(molecule.atom(3).atomicNumber(), 1); EXPECT_EQ(molecule.atom(4).atomicNumber(), 1); EXPECT_EQ(molecule.atom(4).position3d().x(), -0.51336); EXPECT_EQ(molecule.atom(4).position3d().y(), 0.88916); EXPECT_EQ(molecule.atom(4).position3d().z(), -0.36300); } // Turn off the option to perceive bonds TEST(XyzTest, readAtomicSymbolsNoBonds) { XyzFormat xyz; xyz.setOptions("{ \"perceiveBonds\": false }"); Molecule molecule; EXPECT_TRUE(xyz.readFile(AVOGADRO_DATA "/data/methane.xyz", molecule)); ASSERT_EQ(xyz.error(), std::string()); EXPECT_EQ(molecule.atomCount(), 5); // We turned off bond perception, so there should be zero bonds EXPECT_EQ(molecule.bondCount(), 0); EXPECT_EQ(molecule.atom(0).atomicNumber(), 6); EXPECT_EQ(molecule.atom(1).atomicNumber(), 1); EXPECT_EQ(molecule.atom(2).atomicNumber(), 1); EXPECT_EQ(molecule.atom(3).atomicNumber(), 1); EXPECT_EQ(molecule.atom(4).atomicNumber(), 1); EXPECT_EQ(molecule.atom(4).position3d().x(), -0.51336); EXPECT_EQ(molecule.atom(4).position3d().y(), 0.88916); EXPECT_EQ(molecule.atom(4).position3d().z(), -0.36300); } // methane-num.xyz uses atomic numbers to identify atoms TEST(XyzTest, readAtomicNumbers) { XyzFormat xyz; Molecule molecule; xyz.readFile(AVOGADRO_DATA "/data/methane-num.xyz", molecule); EXPECT_EQ(molecule.atomCount(), 5); // Bond perception will result in 4 bonds EXPECT_EQ(molecule.bondCount(), 4); EXPECT_EQ(molecule.atom(0).atomicNumber(), 6); EXPECT_EQ(molecule.atom(1).atomicNumber(), 1); EXPECT_EQ(molecule.atom(2).atomicNumber(), 1); EXPECT_EQ(molecule.atom(3).atomicNumber(), 1); EXPECT_EQ(molecule.atom(4).atomicNumber(), 1); EXPECT_EQ(molecule.atom(4).position3d().x(), -0.51336); EXPECT_EQ(molecule.atom(4).position3d().y(), 0.88916); EXPECT_EQ(molecule.atom(4).position3d().z(), -0.36300); } TEST(XyzTest, write) { XyzFormat xyz; Molecule molecule; molecule.addAtom(6).setPosition3d(Vector3(0.0, 0.0, 0.0)); molecule.addAtom(1).setPosition3d(Vector3(0.0, 0.0, 1.089)); molecule.addAtom(1).setPosition3d(Vector3(1.026719, 0.0, -0.363)); molecule.addAtom(1).setPosition3d(Vector3(-0.51336, -0.889165, -0.363)); molecule.addAtom(1).setPosition3d(Vector3(-0.51336, 0.889165, -0.363)); std::string output; EXPECT_EQ(xyz.writeString(output, molecule), true); // this part is more of a roundtrip test Molecule readMolecule; xyz.readString(output, readMolecule); // make sure we've got the same thing EXPECT_EQ(readMolecule.atomCount(), 5); // Bond perception will result in 4 bonds EXPECT_EQ(readMolecule.bondCount(), 4); EXPECT_EQ(readMolecule.atom(0).atomicNumber(), 6); EXPECT_EQ(readMolecule.atom(1).atomicNumber(), 1); EXPECT_EQ(readMolecule.atom(2).atomicNumber(), 1); EXPECT_EQ(readMolecule.atom(3).atomicNumber(), 1); EXPECT_EQ(readMolecule.atom(4).atomicNumber(), 1); EXPECT_EQ(readMolecule.atom(4).position3d().x(), -0.51336); EXPECT_EQ(readMolecule.atom(4).position3d().y(), 0.889165); EXPECT_EQ(readMolecule.atom(4).position3d().z(), -0.36300); } TEST(XyzTest, modes) { // This tests some of the mode setting/checking code, not explicitly Xyz but // a concrete implementation is required in order to test. XyzFormat format; format.open(AVOGADRO_DATA "/data/multi.xyz", FileFormat::Read); EXPECT_TRUE(format.isMode(FileFormat::Read)); EXPECT_TRUE(format.mode() & FileFormat::Read); EXPECT_FALSE(format.isMode(FileFormat::Write)); // Try some combinations now. format.open(AVOGADRO_DATA "/data/multi.xyz", FileFormat::Read | FileFormat::MultiMolecule); EXPECT_TRUE(format.isMode(FileFormat::Read)); EXPECT_TRUE(format.isMode(FileFormat::Read | FileFormat::MultiMolecule)); EXPECT_TRUE(format.isMode(FileFormat::MultiMolecule)); } TEST(DISABLED_XyzTest, readMulti) { XyzFormat multi; multi.open(AVOGADRO_DATA "/data/multi.xyz", FileFormat::Read | FileFormat::MultiMolecule); Molecule molecule; // Read in the first structure. EXPECT_TRUE(multi.readMolecule(molecule)); ASSERT_EQ(multi.error(), ""); EXPECT_EQ(molecule.data("name").toString(), "Methane"); EXPECT_EQ(molecule.atomCount(), 5); // Bond perception will result in 4 bonds EXPECT_EQ(molecule.bondCount(), 4); EXPECT_EQ(molecule.atom(0).atomicNumber(), 6); EXPECT_EQ(molecule.atom(1).atomicNumber(), 1); EXPECT_EQ(molecule.atom(2).atomicNumber(), 1); EXPECT_EQ(molecule.atom(3).atomicNumber(), 1); EXPECT_EQ(molecule.atom(4).atomicNumber(), 1); EXPECT_DOUBLE_EQ(molecule.atom(4).position3d().x(), -0.51336); EXPECT_DOUBLE_EQ(molecule.atom(4).position3d().y(), 0.88916); EXPECT_DOUBLE_EQ(molecule.atom(4).position3d().z(), -0.36300); // Now read in the second structure. Molecule molecule2; EXPECT_TRUE(multi.readMolecule(molecule2)); ASSERT_EQ(multi.error(), ""); EXPECT_EQ(molecule2.data("name").toString(), "Caffeine"); EXPECT_EQ(molecule2.atomCount(), 24); EXPECT_EQ(molecule2.bondCount(), 0); // Should return false when there are no more molecules to be read in. EXPECT_FALSE(multi.readMolecule(molecule)); } TEST(DISABLED_XyzTest, writeMulti) { XyzFormat multi; multi.open(AVOGADRO_DATA "/data/multi.xyz", FileFormat::Read | FileFormat::MultiMolecule); Molecule mol[2]; // Read in the two structures in the file. EXPECT_TRUE(multi.readMolecule(mol[0])); ASSERT_EQ(multi.error(), ""); EXPECT_TRUE(multi.readMolecule(mol[1])); ASSERT_EQ(multi.error(), ""); multi.close(); // Now attempt to write out a multi-molecule file. multi.open("multitmp.xyz", FileFormat::Write | FileFormat::MultiMolecule); multi.writeMolecule(mol[0]); multi.writeMolecule(mol[1]); multi.close(); // Finally, let's read them back in and check the basic properties match. multi.open("multitmp.xyz", FileFormat::Read | FileFormat::MultiMolecule); Molecule ref[2]; EXPECT_TRUE(multi.readMolecule(ref[0])); EXPECT_TRUE(multi.readMolecule(ref[1])); // Compare some properties and see if they made it all the way back to us. for (int i = 0; i < 2; ++i) { EXPECT_EQ(mol[i].data("name").toString(), ref[i].data("name").toString()); EXPECT_EQ(mol[i].atomCount(), ref[i].atomCount()); EXPECT_EQ(mol[i].bondCount(), ref[i].bondCount()); } } avogadrolibs-1.100.0/tests/qtgui/000077500000000000000000000000001474375334400166365ustar00rootroot00000000000000avogadrolibs-1.100.0/tests/qtgui/CMakeLists.txt000066400000000000000000000036401474375334400214010ustar00rootroot00000000000000include_directories("${CMAKE_CURRENT_BINARY_DIR}" "${AvogadroLibs_BINARY_DIR}/avogadro/qtgui" "${AvogadroLibs_BINARY_DIR}/avogadro/molequeue" "${AvogadroLibs_SOURCE_DIR}/tests/core") find_package(Qt${QT_VERSION} COMPONENTS Widgets Network Test REQUIRED) # Find python interpreter for input generator find_package(PythonInterp 3) # Setup config file with data location if(AVOGADRO_DATA_ROOT) set(AVOGADRO_DATA ${AVOGADRO_DATA_ROOT}) endif() configure_file("${CMAKE_CURRENT_SOURCE_DIR}/qtguitests.h.in" "${CMAKE_CURRENT_BINARY_DIR}/qtguitests.h" @ONLY) # Specify the name of each test (the Test will be appended where needed). set(tests GenericHighlighter HydrogenTools # GitHub is showing this as a free() bug # TODO: Fix this # Molecule RWMolecule ) if (BUILD_MOLEQUEUE) # Pull in MoleQueue find_package(MoleQueue REQUIRED NO_MODULE) include_directories(${MoleQueue_INCLUDE_DIRS}) list(APPEND tests MoleQueueQueueListModel ) set(MoleQueueLink Avogadro::MoleQueue MoleQueueClient) endif() if(PYTHON_EXECUTABLE AND AVOGADRO_DATA) list(APPEND tests # FIXME: These tests are broken # FileBrowseWidget # InputGenerator # InputGeneratorWidget ) endif() # Build up the source file names. set(testSrcs "") foreach(TestName ${tests}) message(STATUS "Adding ${TestName} test.") string(TOLOWER ${TestName} testname) list(APPEND testSrcs ${testname}test.cpp) endforeach() # Add a single executable for all of our tests. add_executable(AvogadroQtGuiTests ${testSrcs}) target_link_libraries(AvogadroQtGuiTests Avogadro::QtGui ${MoleQueueLink} ${GTEST_BOTH_LIBRARIES} ${EXTRA_LINK_LIB} Qt${QT_VERSION}::Widgets Qt${QT_VERSION}::Test) # Now add all of the tests, using the gtest_filter argument so that only those # cases are run in each test invocation. foreach(TestName ${tests}) add_test(NAME "QtGui-${TestName}" COMMAND AvogadroQtGuiTests "--gtest_filter=${TestName}Test.*") endforeach() avogadrolibs-1.100.0/tests/qtgui/filebrowsewidgettest.cpp000066400000000000000000000047421474375334400236160ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "qtguitests.h" #include #include #include #include #include #include using Avogadro::QtGui::FileBrowseWidget; // Need a QApplication to instantiate widget #define START_QAPP \ int argc = 1; \ char argName[] = "FakeApp.exe"; \ char* argv[2] = { argName, nullptr }; \ QApplication app(argc, argv); \ Q_UNUSED(app) TEST(FileBrowseWidgetTest, setFileName) { START_QAPP; FileBrowseWidget widget; if(QT_VERSION==6) QSignalSpy spy(&widget, &FileBrowseWidget::fileNameChanged); else QSignalSpy spy(&widget, SIGNAL(fileNameChanged(QString))); widget.setFileName("some file"); EXPECT_EQ(1, spy.count()); EXPECT_STREQ("some file", qPrintable(spy.front().front().toString())); EXPECT_STREQ("some file", qPrintable(widget.fileName())); EXPECT_STREQ("some file", qPrintable(widget.lineEdit()->text())); } TEST(FileBrowseWidgetTest, validExistingFile) { START_QAPP; FileBrowseWidget widget; widget.setMode(FileBrowseWidget::ExistingFile); widget.setFileName(AVOGADRO_DATA "/data/ethane.cml"); EXPECT_TRUE(widget.validFileName()); widget.setFileName(AVOGADRO_DATA "/data/nonexisting.file"); EXPECT_FALSE(widget.validFileName()); } TEST(FileBrowseWidgetTest, validExecutableFile) { START_QAPP; FileBrowseWidget widget; widget.setMode(FileBrowseWidget::ExecutableFile); #ifndef Q_OS_WIN32 // Qt doesn't identify python files as exec on windows: widget.setFileName(AVOGADRO_DATA "/tests/avogadro/scripts/inputgeneratortest.py"); #else // Q_OS_WIN32 widget.setFileName("C:/Windows/System32/cmd.exe"); #endif // Q_OS_WIN32 EXPECT_TRUE(widget.validFileName()); widget.setFileName(AVOGADRO_DATA "/data/ethane.cml"); EXPECT_FALSE(widget.validFileName()); widget.setFileName(AVOGADRO_DATA "/data/nonexisting.file"); EXPECT_FALSE(widget.validFileName()); } avogadrolibs-1.100.0/tests/qtgui/generichighlightertest.cpp000066400000000000000000000137101474375334400240770ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include #include #include using Avogadro::QtGui::GenericHighlighter; namespace { // Extended GenericHighlighter that can export to html. Taken from // http://stackoverflow.com/questions/15280452 // This is used to verify that the rules properly highlight the correct portions // of text. // (You'd think QTextDocument::toHtml() would do this. It doesn't. :-/ ) class GenericHighlighterHtml : public GenericHighlighter { public: void asHtml(QString& html) { // Create a new document from all the selected text document. QTextCursor cursor(document()); cursor.select(QTextCursor::Document); QTextDocument* tempDocument(new QTextDocument); Q_ASSERT(tempDocument); QTextCursor tempCursor(tempDocument); tempCursor.insertFragment(cursor.selection()); tempCursor.select(QTextCursor::Document); // Set the default foreground for the inserted characters. QTextCharFormat textfmt = tempCursor.charFormat(); textfmt.setForeground(Qt::gray); tempCursor.setCharFormat(textfmt); // Apply the additional formats set by the syntax highlighter QTextBlock start = document()->findBlock(cursor.selectionStart()); QTextBlock end = document()->findBlock(cursor.selectionEnd()); end = end.next(); const int selectionStart = cursor.selectionStart(); const int endOfDocument = tempDocument->characterCount() - 1; for (QTextBlock current = start; current.isValid() && current != end; current = current.next()) { const QTextLayout* layout(current.layout()); foreach (const QTextLayout::FormatRange& range, layout->formats()) { const int startIdx = current.position() + range.start - selectionStart; const int endIdx = startIdx + range.length; if (endIdx <= 0 || startIdx >= endOfDocument) continue; tempCursor.setPosition(qMax(startIdx, 0)); tempCursor.setPosition(qMin(endIdx, endOfDocument), QTextCursor::KeepAnchor); tempCursor.setCharFormat(range.format); } } // Reset the user states since they are not interesting for (QTextBlock block = tempDocument->begin(); block.isValid(); block = block.next()) { block.setUserState(-1); } // Make sure the text appears pre-formatted, and set the background we want. tempCursor.select(QTextCursor::Document); QTextBlockFormat blockFormat = tempCursor.blockFormat(); blockFormat.setNonBreakableLines(true); // blockFormat.setBackground(Qt::black); tempCursor.setBlockFormat(blockFormat); // Finally retrieve the syntax highlighted and formatted html. html = tempCursor.selection().toHtml(); delete tempDocument; } }; } // namespace // This currently seg faults... TEST(DISABLED_GenericHighlighterTest, exercise) { QTextDocument doc("A regexp will turn this blue.\n" "Only this and that will be yellow.\n" "A wildcard expression will turn this red.\n" "This string will be green.\n"); GenericHighlighterHtml highlighter; QTextCharFormat format; GenericHighlighter::Rule& regexpRule = highlighter.addRule(); regexpRule.addPattern(QRegularExpression("^.*regexp.*$")); format.setForeground(Qt::blue); regexpRule.setFormat(format); GenericHighlighter::Rule& regexpCapRule = highlighter.addRule(); regexpCapRule.addPattern(QRegularExpression("^.*(this)[^\n]*(that).*$")); format.setForeground(Qt::yellow); regexpCapRule.setFormat(format); GenericHighlighter::Rule& stringRule = highlighter.addRule(); stringRule.addPattern(QRegularExpression("This string will be green.")); format.setForeground(Qt::green); stringRule.setFormat(format); highlighter.setDocument(&doc); highlighter.rehighlight(); QString html; highlighter.asHtml(html); QString refHtml( "\n" "" "\n" "
      "
    ""
    "A regexp will turn this blue.
      \n" "
      "
    ""
    "Only "
    "this "
    "and "
    "that "
    "will be yellow.
      \n" "
      "
    ""
    "A wildcard expression will turn this red.
      \n" "
      "
    ""
    "This string will be green.
      \n" "
      "
    "
      "); EXPECT_STREQ(qPrintable(refHtml), qPrintable(html)); } avogadrolibs-1.100.0/tests/qtgui/hydrogentoolstest.cpp000066400000000000000000000114421474375334400231440ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include using Avogadro::QtGui::HydrogenTools; using Avogadro::QtGui::Molecule; using Avogadro::QtGui::RWAtom; using Avogadro::QtGui::RWMolecule; TEST(HydrogenToolsTest, removeAllHydrogens) { Molecule m; RWMolecule mol(m); mol.addAtom(1); HydrogenTools::removeAllHydrogens(mol); EXPECT_EQ(mol.atomCount(), 0); RWAtom C1 = mol.addAtom(6); RWAtom C2 = mol.addAtom(6); RWAtom C3 = mol.addAtom(6); mol.addBond(C1, C2, 1); mol.addBond(C2, C3, 1); RWAtom H = mol.addAtom(1); mol.addBond(C1, H); H = mol.addAtom(1); mol.addBond(C1, H); H = mol.addAtom(1); mol.addBond(C1, H); H = mol.addAtom(1); mol.addBond(C2, H); H = mol.addAtom(1); mol.addBond(C2, H); H = mol.addAtom(1); mol.addBond(C3, H); H = mol.addAtom(1); mol.addBond(C3, H); H = mol.addAtom(1); mol.addBond(C3, H); HydrogenTools::removeAllHydrogens(mol); EXPECT_EQ(std::string("C3"), mol.molecule().formula()); } TEST(HydrogenToolsTest, adjustHydrogens_C3H8) { Molecule m; RWMolecule mol(m); RWAtom C1 = mol.addAtom(6); RWAtom C2 = mol.addAtom(6); RWAtom C3 = mol.addAtom(6); mol.addBond(C1, C2, 1); mol.addBond(C2, C3, 1); HydrogenTools::adjustHydrogens(mol); EXPECT_EQ(11, mol.atomCount()); EXPECT_EQ(10, mol.bondCount()); EXPECT_EQ(std::string("C3H8"), mol.molecule().formula()); } TEST(HydrogenToolsTest, adjustHydrogens_C2H7NO) { Molecule m; RWMolecule mol(m); RWAtom C1 = mol.addAtom(6); RWAtom C2 = mol.addAtom(6); RWAtom O1 = mol.addAtom(8); RWAtom N1 = mol.addAtom(7); mol.addBond(C1, C2, 1); mol.addBond(C2, O1, 1); mol.addBond(O1, N1, 1); HydrogenTools::adjustHydrogens(mol); EXPECT_EQ(11, mol.atomCount()); EXPECT_EQ(10, mol.bondCount()); EXPECT_EQ(std::string("C2H7NO"), mol.molecule().formula()); } TEST(HydrogenToolsTest, adjustHydrogens_C2H4O) { Molecule m; RWMolecule mol(m); RWAtom C1 = mol.addAtom(6); RWAtom C2 = mol.addAtom(6); RWAtom O1 = mol.addAtom(8); mol.addBond(C1, C2, 1); mol.addBond(C2, O1, 2); HydrogenTools::adjustHydrogens(mol); EXPECT_EQ(7, mol.atomCount()); EXPECT_EQ(6, mol.bondCount()); EXPECT_EQ(std::string("C2H4O"), mol.molecule().formula()); } TEST(HydrogenToolsTest, adjustHydrogens_adjustments) { for (int i = 0; i < 3; ++i) { HydrogenTools::Adjustment adjustment; std::string expectedFormula; switch (i) { case 0: adjustment = HydrogenTools::Add; expectedFormula = "C2H14"; break; case 1: adjustment = HydrogenTools::Remove; expectedFormula = "C2H5"; break; case 2: adjustment = HydrogenTools::AddAndRemove; expectedFormula = "C2H8"; break; } Molecule m; RWMolecule mol(m); RWAtom C1 = mol.addAtom(6); // Overbond this atom mol.addBond(C1, mol.addAtom(1)); mol.addBond(C1, mol.addAtom(1)); mol.addBond(C1, mol.addAtom(1)); mol.addBond(C1, mol.addAtom(1)); mol.addBond(C1, mol.addAtom(1)); mol.addBond(C1, mol.addAtom(1)); mol.addBond(C1, mol.addAtom(1)); mol.addBond(C1, mol.addAtom(1)); mol.addBond(C1, mol.addAtom(1)); mol.addBond(C1, mol.addAtom(1)); RWAtom C2 = mol.addAtom(6); // Underbond this atom mol.addBond(C2, mol.addAtom(1)); EXPECT_EQ(std::string("C2H11"), mol.molecule().formula()); HydrogenTools::adjustHydrogens(mol, adjustment); EXPECT_EQ(expectedFormula, mol.molecule().formula()); } } TEST(HydrogenToolsTest, valencyAdjustment_C) { Molecule m; RWMolecule mol(m); RWAtom C = mol.addAtom(6); int expectedAdjustment = 4; for (int i = 0; i < 8; ++i, --expectedAdjustment) { EXPECT_EQ(expectedAdjustment, HydrogenTools::valencyAdjustment(C)); mol.addBond(mol.addAtom(1), C, 1); } } TEST(HydrogenToolsTest, valencyAdjustment_N) { Molecule m; RWMolecule mol(m); RWAtom N = mol.addAtom(7); int expectedAdjustment = 3; for (int i = 0; i < 8; ++i, --expectedAdjustment) { if (i == 5) // neutral N can have 3 or 5 bonds in our valence model. EXPECT_EQ(0, HydrogenTools::valencyAdjustment(N)); else EXPECT_EQ(expectedAdjustment, HydrogenTools::valencyAdjustment(N)); mol.addBond(mol.addAtom(1), N, 1); } } TEST(HydrogenToolsTest, valencyAdjustment_O) { Molecule m; RWMolecule mol(m); RWAtom O = mol.addAtom(8); int expectedAdjustment = 2; for (int i = 0; i < 8; ++i, --expectedAdjustment) { EXPECT_EQ(expectedAdjustment, HydrogenTools::valencyAdjustment(O)); mol.addBond(mol.addAtom(1), O, 1); } } avogadrolibs-1.100.0/tests/qtgui/inputgeneratortest.cpp000066400000000000000000000100511474375334400233050ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include "qtguitests.h" #include #include #include #include #include #include #include using Avogadro::MoleQueue::InputGenerator; using Avogadro::QtGui::GenericHighlighter; TEST(InputGeneratorTest, exercise) { QString scriptFilePath(AVOGADRO_DATA "/tests/avogadro/scripts/inputgeneratortest.py"); InputGenerator gen(scriptFilePath); EXPECT_TRUE(gen.scriptFilePath() == scriptFilePath); EXPECT_TRUE(gen.displayName() == QLatin1String("Input Generator Test")) << gen.errorList().join("\n").toStdString(); // catch syntax errors const QJsonObject genOptions(gen.options()); EXPECT_TRUE(genOptions["userOptions"].isObject()); QJsonObject userOptions(genOptions["userOptions"].toObject()); EXPECT_TRUE(userOptions["Basis"].isObject()); // Create a set of input options by setting defaults QJsonObject inputOptions; QJsonObject options; for (const QString& optionName : userOptions.keys()) { EXPECT_TRUE(userOptions[optionName].isObject()); QJsonObject option(userOptions[optionName].toObject()); QString optionType(option["type"].toString()); if (optionType == QLatin1String("stringList")) { QJsonArray strings(option["values"].toArray()); int index = static_cast(options["default"].toDouble()); options.insert(optionName, strings.at(index)); } else { options.insert(optionName, option["default"]); } } // Use a cml file from the test data to test file path handling. QString testFilePath(AVOGADRO_DATA "/data/ethane.cml"); options["Test FilePath"] = testFilePath; // And a fake molecule... Avogadro::Core::Molecule mol; mol.addAtom(6).setPosition3d(Avogadro::Vector3(1, 1, 1)); mol.addAtom(1).setPosition3d(Avogadro::Vector3(2, 3, 4)); mol.addAtom(8).setPosition3d(Avogadro::Vector3(-2, 3, -4)); inputOptions.insert("options", options); // Adding debugging should add another file: gen.setDebug(false); EXPECT_TRUE(gen.generateInput(inputOptions, mol)); int numFilesNoDebug(gen.numberOfInputFiles()); gen.setDebug(true); EXPECT_TRUE(gen.debug()); EXPECT_TRUE(gen.generateInput(inputOptions, mol)); EXPECT_EQ(numFilesNoDebug + 1, gen.numberOfInputFiles()); // Check that all expected files are produced EXPECT_EQ(4, gen.numberOfInputFiles()); EXPECT_TRUE(gen.fileNames().contains("job.opts")); EXPECT_TRUE(gen.fileNames().contains("job.coords")); EXPECT_TRUE(gen.fileNames().contains("job.testFilePath")); EXPECT_TRUE(gen.fileNames().contains("debug_info")); EXPECT_EQ(gen.mainFileName().toStdString(), std::string("job.opts")); // Validate the coordinates QString coords(gen.fileContents("job.coords")); EXPECT_TRUE( coords.contains("C 1.000000 0 1.000000 1 1.000000 1 Carbon")); EXPECT_TRUE( coords.contains("H 2.000000 0 3.000000 1 4.000000 1 Hydrogen")); EXPECT_TRUE( coords.contains("O -2.000000 0 3.000000 1 -4.000000 1 Oxygen")); // Validate the file returned by path QFile testFile(testFilePath); EXPECT_TRUE(testFile.open(QFile::ReadOnly)); QByteArray refData(testFile.readAll()); EXPECT_EQ(std::string(refData.constData()), gen.fileContents("job.testFilePath").toStdString()); // Check warnings/errors EXPECT_FALSE(gen.hasErrors()); EXPECT_EQ(0, gen.errorList().size()); EXPECT_EQ(5, gen.warningList().size()); // Highlight styles: GenericHighlighter* highlighter(gen.createFileHighlighter("job.opts")); EXPECT_TRUE(highlighter != nullptr); delete highlighter; highlighter = gen.createFileHighlighter("debug_info"); EXPECT_TRUE(highlighter == nullptr); delete highlighter; } avogadrolibs-1.100.0/tests/qtgui/inputgeneratorwidgettest.cpp000066400000000000000000000102011474375334400245060ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include "qtguitests.h" #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::MoleQueue::InputGeneratorWidget; using Avogadro::QtGui::FileBrowseWidget; using Avogadro::QtGui::Molecule; namespace { void flushEvents() { // Post a quit event at the end of the event queue QTimer::singleShot(0, qApp, SLOT(quit())); // Process events in the queue qApp->exec(); } } // namespace TEST(InputGeneratorWidgetTest, exercise) { // Fake a QApplication -- needed to instantiate widgets. int argc = 1; char argName[] = "FakeApp.exe"; char* argv[2] = { argName, nullptr }; QApplication app(argc, argv); Q_UNUSED(app); // Setup the widget InputGeneratorWidget widget; QString scriptFilePath(AVOGADRO_DATA "/tests/avogadro/scripts/inputgeneratortest.py"); widget.setInputGeneratorScript(scriptFilePath); Molecule mol; mol.addAtom(6).setPosition3d(Avogadro::Vector3(1, 1, 1)); mol.addAtom(1).setPosition3d(Avogadro::Vector3(2, 3, 4)); mol.addAtom(8).setPosition3d(Avogadro::Vector3(-2, 3, -4)); widget.setMolecule(&mol); // Check that the generator is configured properly. EXPECT_EQ(widget.inputGenerator().displayName().toStdString(), std::string("Input Generator Test")); // Verify that appropriate widgets are produced for each parameter type: EXPECT_TRUE(widget.findChild("Test StringList") != nullptr); EXPECT_TRUE(widget.findChild("Test String") != nullptr); EXPECT_TRUE(widget.findChild("Test Integer") != nullptr); EXPECT_TRUE(widget.findChild("Test Boolean") != nullptr); EXPECT_TRUE(widget.findChild("Test FilePath") != nullptr); // Set a test filepath FileBrowseWidget* testFilePathWidget( widget.findChild("Test FilePath")); QString testFilePath(AVOGADRO_DATA "/data/ethane.cml"); testFilePathWidget->setFileName(testFilePath); // Show the widget so that events are processed widget.show(); // Clear out the event queue so that the text edits are updated: flushEvents(); // Check the contents of the filepath file: QTextEdit* filePathEdit = widget.findChild("job.testFilePath"); QFile testFile(testFilePath); EXPECT_TRUE(testFile.open(QFile::ReadOnly | QFile::Text)); QByteArray refData(testFile.readAll()); EXPECT_EQ(std::string(refData.constData()), filePathEdit->document()->toPlainText().toStdString()); // Check the coords: QTextEdit* coordsEdit = widget.findChild("job.coords"); QString coords(coordsEdit->document()->toPlainText()); EXPECT_TRUE( coords.contains("C 1.000000 0 1.000000 1 1.000000 1 Carbon")); EXPECT_TRUE( coords.contains("H 2.000000 0 3.000000 1 4.000000 1 Hydrogen")); EXPECT_TRUE( coords.contains("O -2.000000 0 3.000000 1 -4.000000 1 Oxygen")); // Test the default reset -- trigger a reset, then verify that testFilePath // is cleared (we set it earlier) QPushButton* defaultsButton(widget.findChild("defaultsButton")); defaultsButton->click(); flushEvents(); EXPECT_TRUE(testFilePathWidget->fileName().isEmpty()); EXPECT_EQ(filePathEdit->document()->toPlainText().toStdString(), std::string("Reference file '' does not exist.")); // Test the autogenerated title: QLineEdit* titleEdit = widget.findChild("Title"); EXPECT_EQ(titleEdit->placeholderText().toStdString(), std::string("CHO | Equilibrium Geometry | B3LYP/6-31G(d)")); } avogadrolibs-1.100.0/tests/qtgui/moleculetest.cpp000066400000000000000000000565031474375334400220600ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include #include #include #include "utils.h" using Avogadro::Index; using Avogadro::Core::Array; using Avogadro::Core::Atom; using Avogadro::Core::Bond; using Avogadro::Core::Color3f; using Avogadro::Core::Mesh; using Avogadro::QtGui::Molecule; using Avogadro::QtGui::PersistentAtom; using Avogadro::QtGui::PersistentBond; class MoleculeTest : public testing::Test { public: MoleculeTest(); protected: Molecule m_testMolecule; }; MoleculeTest::MoleculeTest() { Atom o1 = m_testMolecule.addAtom(8); Atom h2 = m_testMolecule.addAtom(1); Atom h3 = m_testMolecule.addAtom(1); Bond b[2]; b[0] = m_testMolecule.addBond(o1, h2, 1); b[1] = m_testMolecule.addBond(o1, h3, 2); o1.setPosition3d(Avogadro::Vector3(0, 0, 0)); h2.setPosition3d(Avogadro::Vector3(0.6, -0.5, 0)); h3.setPosition3d(Avogadro::Vector3(-0.6, -0.5, 0)); o1.setPosition2d(Avogadro::Vector2(0, 0)); h2.setPosition2d(Avogadro::Vector2(0.6, -0.5)); h3.setPosition2d(Avogadro::Vector2(-0.6, -0.5)); // Add some data Avogadro::Core::VariantMap data; data.setValue("test", Avogadro::Core::Variant("test")); m_testMolecule.setDataMap(data); Mesh* mesh = m_testMolecule.addMesh(); Array vertices; Array normals; Array colors; Color3f color = Color3f(23, 23, 23); colors.push_back(color); Avogadro::Vector3f vec(1.2f, 1.3f, 1.4f); vertices.push_back(vec); normals.push_back(vec); mesh->setColors(colors); mesh->setNormals(normals); mesh->setVertices(vertices); mesh->setIsoValue(1.2f); mesh->setName("testmesh"); mesh->setOtherMesh(1); mesh->setStable(false); } TEST_F(MoleculeTest, addAtom) { Molecule molecule; EXPECT_EQ(molecule.atomCount(), static_cast(0)); Atom atom = molecule.addAtom(6); EXPECT_EQ(atom.isValid(), true); EXPECT_EQ(molecule.atomCount(), static_cast(1)); EXPECT_EQ(atom.index(), 0); EXPECT_EQ(atom.atomicNumber(), static_cast(6)); Atom atom2 = molecule.addAtom(1); EXPECT_EQ(atom2.isValid(), true); EXPECT_EQ(molecule.atomCount(), static_cast(2)); EXPECT_EQ(atom2.index(), 1); EXPECT_EQ(atom2.atomicNumber(), static_cast(1)); } TEST_F(MoleculeTest, removeAtom) { Molecule molecule; Atom atom0 = molecule.addAtom(6); Atom atom1 = molecule.addAtom(1); Atom atom2 = molecule.addAtom(1); Atom atom3 = molecule.addAtom(1); Atom atom4 = molecule.addAtom(1); molecule.addBond(atom0, atom1, 1); molecule.addBond(atom0, atom2, 1); molecule.addBond(atom0, atom3, 1); molecule.addBond(atom0, atom4, 1); EXPECT_EQ(5, molecule.atomCount()); EXPECT_EQ(4, molecule.bondCount()); molecule.removeAtom(atom0); EXPECT_EQ(4, molecule.atomCount()); EXPECT_EQ(0, molecule.bondCount()); molecule.clearAtoms(); EXPECT_EQ(0, molecule.atomCount()); } TEST_F(MoleculeTest, addBond) { Molecule molecule; EXPECT_EQ(molecule.bondCount(), static_cast(0)); Atom a = molecule.addAtom(1); Atom b = molecule.addAtom(1); Bond bondAB = molecule.addBond(a, b); EXPECT_TRUE(bondAB.isValid()); EXPECT_EQ(bondAB.molecule(), &molecule); EXPECT_EQ(molecule.bondCount(), static_cast(1)); EXPECT_EQ(bondAB.index(), static_cast(0)); EXPECT_EQ(bondAB.atom1().index(), a.index()); EXPECT_EQ(bondAB.atom2().index(), b.index()); EXPECT_EQ(bondAB.order(), static_cast(1)); Atom c = molecule.addAtom(1); Bond bondBC = molecule.addBond(b, c, 2); EXPECT_TRUE(bondBC.isValid()); EXPECT_EQ(molecule.bondCount(), static_cast(2)); EXPECT_EQ(bondBC.index(), static_cast(1)); EXPECT_EQ(bondBC.order(), static_cast(2)); // try to lookup nonexistent bond Bond bond = molecule.bond(a, c); EXPECT_FALSE(bond.isValid()); // try to lookup bond between a and b bond = molecule.bond(a, b); EXPECT_TRUE(bond.isValid()); EXPECT_EQ(bond.molecule(), &molecule); EXPECT_EQ(bond.atom1().index(), a.index()); EXPECT_EQ(bond.atom2().index(), b.index()); // try to lookup bond between b and c by index bond = molecule.bond(1); EXPECT_TRUE(bond.isValid()); EXPECT_EQ(bond.molecule(), &molecule); EXPECT_EQ(bond.atom1().index(), b.index()); EXPECT_EQ(bond.atom2().index(), c.index()); } TEST_F(MoleculeTest, removeBond) { Molecule molecule; Atom a = molecule.addAtom(1); Atom b = molecule.addAtom(1); Bond bondAB = molecule.addBond(a, b); Atom c = molecule.addAtom(1); molecule.addBond(b, c, 2); EXPECT_EQ(3, molecule.atomCount()); EXPECT_EQ(2, molecule.bondCount()); EXPECT_TRUE(molecule.bond(a, b).isValid()); EXPECT_TRUE(molecule.bond(b, c).isValid()); molecule.removeBond(bondAB); EXPECT_EQ(3, molecule.atomCount()); EXPECT_EQ(1, molecule.bondCount()); EXPECT_FALSE(molecule.bond(a, b).isValid()); EXPECT_TRUE(molecule.bond(b, c).isValid()); molecule.clearBonds(); EXPECT_EQ(0, molecule.bondCount()); } TEST_F(MoleculeTest, findBond) { Molecule molecule; Atom a1 = molecule.addAtom(5); Atom a2 = molecule.addAtom(6); Bond b = molecule.addBond(a1, a2, 1); EXPECT_EQ(molecule.bond(a1, a2).index(), b.index()); EXPECT_EQ(molecule.bond(a2, a1).index(), b.index()); Array bonds = molecule.bonds(a1); EXPECT_EQ(bonds.size(), 1); Atom a3 = molecule.addAtom(7); molecule.addBond(a1, a3, 1); EXPECT_EQ(molecule.bonds(a1).size(), 2); EXPECT_EQ(molecule.bonds(a3).size(), 1); } TEST_F(MoleculeTest, uniqueAtom) { Molecule molecule; Atom a1 = molecule.addAtom(5); Atom a2 = molecule.addAtom(6); Atom a3 = molecule.addAtom(7); Bond b1 = molecule.addBond(a1, a2, 1); Bond b2 = molecule.addBond(a1, a3, 2); Index uid1 = molecule.atomUniqueId(a1); Index uid2 = molecule.atomUniqueId(a2); Index uid3 = molecule.atomUniqueId(a3); EXPECT_EQ(uid1, 0); EXPECT_EQ(uid2, 1); EXPECT_EQ(uid3, 2); EXPECT_EQ(molecule.bond(a1, a2).index(), b1.index()); EXPECT_EQ(molecule.bond(a2, a1).index(), b1.index()); EXPECT_EQ(molecule.bond(a3, a1).index(), b2.index()); Array bonds = molecule.bonds(a1); EXPECT_EQ(bonds.size(), 2); molecule.removeAtom(a2); bonds = molecule.bonds(a1); EXPECT_EQ(bonds.size(), 1); Atom a4 = molecule.addAtom(8); Index uid4 = molecule.atomUniqueId(a4); EXPECT_EQ(uid4, 3); molecule.addBond(a1, a4, 1); EXPECT_EQ(molecule.bonds(a1).size(), 2); EXPECT_EQ(molecule.bonds(a3).size(), 1); // Check we can get the invalid atom, and also resolve the unique IDs to the // correct atom objects. Atom test = molecule.atomByUniqueId(uid1); EXPECT_TRUE(a1 == test); test = molecule.atomByUniqueId(uid2); EXPECT_FALSE(test.isValid()); test = molecule.atomByUniqueId(uid4); EXPECT_FALSE(a1 == test); EXPECT_TRUE(a4 == test); EXPECT_TRUE(a2 != test); EXPECT_EQ(test.atomicNumber(), 8); } TEST_F(MoleculeTest, uniqueAtomRestore) { Molecule molecule; Atom a1 = molecule.addAtom(5); Atom a2 = molecule.addAtom(6); Atom a3 = molecule.addAtom(7); molecule.addBond(a1, a2, 1); molecule.addBond(a1, a3, 2); Index uid1 = molecule.atomUniqueId(a1); Index uid2 = molecule.atomUniqueId(a2); molecule.removeAtom(a2); Atom a4 = molecule.addAtom(8); molecule.addBond(a1, a4, 1); // Check we can get the invalid atom, and also resolve the unique IDs to the // correct atom objects. Atom test = molecule.atomByUniqueId(uid1); EXPECT_TRUE(a1 == test); test = molecule.atomByUniqueId(uid2); EXPECT_FALSE(test.isValid()); test = molecule.addAtom(8, uid2); EXPECT_TRUE(test.isValid()); EXPECT_TRUE(molecule.atomByUniqueId(uid2).isValid()); } TEST_F(MoleculeTest, persistentAtom) { Molecule molecule; Atom a1 = molecule.addAtom(5); Atom a2 = molecule.addAtom(6); Atom a3 = molecule.addAtom(7); molecule.addBond(a1, a2, 1); molecule.addBond(a1, a3, 2); Molecule::PersistentAtomType pa1(a1); Molecule::PersistentAtomType pa2(&molecule, molecule.atomUniqueId(a2)); Molecule::PersistentAtomType pa3(&molecule, molecule.atomUniqueId(a3)); EXPECT_EQ(pa1.uniqueIdentifier(), 0); EXPECT_EQ(pa2.uniqueIdentifier(), 1); EXPECT_EQ(pa3.uniqueIdentifier(), 2); molecule.removeAtom(a2); Atom a4 = molecule.addAtom(8); Molecule::PersistentAtomType pa4(&molecule, molecule.atomUniqueId(a4)); EXPECT_EQ(pa4.uniqueIdentifier(), 3); molecule.addBond(a1, a4, 1); // Check we can get the invalid atom, and also resolve the unique IDs to the // correct atom objects from their persistent atom containers. Atom test = pa1.atom(); EXPECT_TRUE(a1 == test); test = pa2.atom(); EXPECT_FALSE(pa2.isValid()); EXPECT_FALSE(test.isValid()); test = pa4.atom(); EXPECT_FALSE(a1 == test); EXPECT_TRUE(a4 == test); EXPECT_TRUE(a2 != test); EXPECT_EQ(test.atomicNumber(), 8); } TEST_F(MoleculeTest, persistentAtomRestore) { Molecule molecule; Atom a1 = molecule.addAtom(5); Atom a2 = molecule.addAtom(6); Atom a3 = molecule.addAtom(7); molecule.addBond(a1, a2, 1); molecule.addBond(a1, a3, 2); Molecule::PersistentAtomType pa1(a1); Molecule::PersistentAtomType pa2(&molecule, molecule.atomUniqueId(a2)); molecule.removeAtom(pa2.atom()); Atom a4 = molecule.addAtom(8); molecule.addBond(a1, a4, 1); // Check we can get the invalid atom, and also resolve the unique IDs to the // correct atom objects from their persistent atom containers. Atom test = pa1.atom(); EXPECT_TRUE(a1 == test); test = pa2.atom(); EXPECT_FALSE(test.isValid()); test = molecule.addAtom(8, pa2.uniqueIdentifier()); EXPECT_TRUE(test.isValid()); EXPECT_TRUE(pa2.isValid()); } TEST_F(MoleculeTest, uniqueBond) { Molecule molecule; Atom a1 = molecule.addAtom(5); Atom a2 = molecule.addAtom(6); Atom a3 = molecule.addAtom(7); Atom a4 = molecule.addAtom(8); Bond b[5]; b[0] = molecule.addBond(a1, a2, 1); b[1] = molecule.addBond(a1, a3, 2); b[2] = molecule.addBond(a1, a4, 3); b[3] = molecule.addBond(a4, a3, 2); b[4] = molecule.addBond(a2, a3, 1); Index uid[5]; for (int i = 0; i < 5; ++i) uid[i] = molecule.bondUniqueId(b[i]); EXPECT_EQ(molecule.bondByUniqueId(uid[0]).order(), 1); EXPECT_EQ(molecule.bondByUniqueId(uid[1]).order(), 2); EXPECT_EQ(molecule.bondByUniqueId(uid[2]).order(), 3); EXPECT_EQ(molecule.bondByUniqueId(uid[3]).order(), 2); EXPECT_EQ(molecule.bondByUniqueId(uid[4]).order(), 1); molecule.removeBond(b[2]); EXPECT_EQ(molecule.bondByUniqueId(uid[0]).order(), 1); EXPECT_EQ(molecule.bondByUniqueId(uid[1]).order(), 2); EXPECT_TRUE(molecule.bondByUniqueId(uid[4]).isValid()); EXPECT_FALSE(molecule.bondByUniqueId(uid[2]).isValid()); EXPECT_EQ(molecule.bondByUniqueId(uid[3]).order(), 2); EXPECT_EQ(molecule.bondByUniqueId(uid[4]).order(), 1); EXPECT_EQ(molecule.bondByUniqueId(uid[3]), b[3]); } TEST_F(MoleculeTest, uniqueBondRestore) { Molecule molecule; Atom a1 = molecule.addAtom(5); Atom a2 = molecule.addAtom(6); Atom a3 = molecule.addAtom(7); Atom a4 = molecule.addAtom(8); Bond b[5]; b[0] = molecule.addBond(a1, a2, 1); b[1] = molecule.addBond(a1, a3, 2); b[2] = molecule.addBond(a1, a4, 3); b[3] = molecule.addBond(a4, a3, 2); b[4] = molecule.addBond(a2, a3, 1); Index uid[5]; for (int i = 0; i < 5; ++i) uid[i] = molecule.bondUniqueId(b[i]); molecule.removeBond(b[2]); EXPECT_EQ(molecule.bondByUniqueId(uid[0]).order(), 1); EXPECT_EQ(molecule.bondByUniqueId(uid[1]).order(), 2); EXPECT_TRUE(molecule.bondByUniqueId(uid[4]).isValid()); EXPECT_FALSE(molecule.bondByUniqueId(uid[2]).isValid()); EXPECT_EQ(molecule.bondByUniqueId(uid[3]).order(), 2); EXPECT_EQ(molecule.bondByUniqueId(uid[4]).order(), 1); EXPECT_EQ(molecule.bondByUniqueId(uid[3]), b[3]); molecule.addBond(a1, a4, 3, uid[2]); EXPECT_TRUE(molecule.bondByUniqueId(uid[2]).isValid()); EXPECT_EQ(molecule.bondByUniqueId(uid[2]).order(), 3); } TEST_F(MoleculeTest, atomCount) { Molecule mol; mol.addAtom(8); mol.addAtom(1); mol.addAtom(1); // Check the total count, and the counts of specific elements. EXPECT_EQ(mol.atomCount(), 3); EXPECT_EQ(mol.atomCount(1), 2); EXPECT_EQ(mol.atomCount(8), 1); EXPECT_EQ(mol.atomCount(42), 0); } TEST_F(MoleculeTest, mass) { Molecule mol; EXPECT_DOUBLE_EQ(mol.mass(), 0.0); Atom a = mol.addAtom(8); mol.addAtom(1); mol.addAtom(1); EXPECT_DOUBLE_EQ(mol.mass(), 18.01508); a.setAtomicNumber(9); EXPECT_DOUBLE_EQ(mol.mass(), 21.01408); } TEST_F(MoleculeTest, centerOfGeometry) { Molecule mol; Avogadro::Vector3 center = mol.centerOfGeometry(); Atom a8 = mol.addAtom(8); mol.setAtomPosition3d(a8.index(), Avogadro::Vector3(0.0, 0.0, 0.0)); center = mol.centerOfGeometry(); EXPECT_DOUBLE_EQ(center.x(), 0.0); EXPECT_DOUBLE_EQ(center.y(), 0.0); EXPECT_DOUBLE_EQ(center.z(), 0.0); Atom a = mol.addAtom(1); mol.setAtomPosition3d(a.index(), Avogadro::Vector3(1.0, 0.0, 0.0)); center = mol.centerOfGeometry(); EXPECT_DOUBLE_EQ(center.x(), 0.5); EXPECT_DOUBLE_EQ(center.y(), 0.0); EXPECT_DOUBLE_EQ(center.z(), 0.0); a = mol.addAtom(1); mol.setAtomPosition3d(a.index(), Avogadro::Vector3(0.0, 1.0, -1.0)); center = mol.centerOfGeometry(); EXPECT_DOUBLE_EQ(center.x(), 1. / 3.); EXPECT_DOUBLE_EQ(center.y(), 1. / 3.); EXPECT_DOUBLE_EQ(center.z(), -1. / 3.); a8.setAtomicNumber(9); center = mol.centerOfGeometry(); EXPECT_DOUBLE_EQ(center.x(), 1. / 3.); EXPECT_DOUBLE_EQ(center.y(), 1. / 3.); EXPECT_DOUBLE_EQ(center.z(), -1. / 3.); } TEST_F(MoleculeTest, centerOfMass) { Molecule mol; Avogadro::Vector3 center = mol.centerOfMass(); Atom a8 = mol.addAtom(8); mol.setAtomPosition3d(a8.index(), Avogadro::Vector3(0.0, 0.0, 0.0)); center = mol.centerOfMass(); EXPECT_DOUBLE_EQ(center.x(), 0.0); EXPECT_DOUBLE_EQ(center.y(), 0.0); EXPECT_DOUBLE_EQ(center.z(), 0.0); Atom a = mol.addAtom(2); mol.setAtomPosition3d(a.index(), Avogadro::Vector3(2.0, 0.0, 0.0)); center = mol.centerOfMass(); EXPECT_DOUBLE_EQ(center.x(), (2.0 * Avogadro::Core::Elements::mass(2) / mol.atomCount()) / mol.mass()); EXPECT_DOUBLE_EQ(center.y(), 0.0); EXPECT_DOUBLE_EQ(center.z(), 0.0); a = mol.addAtom(3); mol.setAtomPosition3d(a.index(), Avogadro::Vector3(1.0, 3.0, -4.0)); center = mol.centerOfMass(); EXPECT_DOUBLE_EQ(center.x(), ((2.0 * Avogadro::Core::Elements::mass(2) + 1.0 * Avogadro::Core::Elements::mass(3)) / mol.atomCount()) / mol.mass()); EXPECT_DOUBLE_EQ(center.y(), (3.0 * Avogadro::Core::Elements::mass(3) / mol.atomCount()) / mol.mass()); EXPECT_DOUBLE_EQ( center.z(), (-4.0 * Avogadro::Core::Elements::mass(3) / mol.atomCount()) / mol.mass()); a8.setAtomicNumber(9); center = mol.centerOfMass(); EXPECT_DOUBLE_EQ(center.x(), ((2.0 * Avogadro::Core::Elements::mass(2) + 1.0 * Avogadro::Core::Elements::mass(3)) / mol.atomCount()) / mol.mass()); EXPECT_DOUBLE_EQ(center.y(), (3.0 * Avogadro::Core::Elements::mass(3) / mol.atomCount()) / mol.mass()); EXPECT_DOUBLE_EQ( center.z(), (-4.0 * Avogadro::Core::Elements::mass(3) / mol.atomCount()) / mol.mass()); } TEST_F(MoleculeTest, radius) { Molecule mol; EXPECT_DOUBLE_EQ(mol.radius(), 0.0); Atom a = mol.addAtom(8); mol.setAtomPosition3d(a.index(), Avogadro::Vector3(0.0, 0.0, 0.0)); EXPECT_DOUBLE_EQ(mol.radius(), 0.0); a = mol.addAtom(1); mol.setAtomPosition3d(a.index(), Avogadro::Vector3(2.0, 0.0, -1.0)); a = mol.addAtom(1); mol.setAtomPosition3d(a.index(), Avogadro::Vector3(1.0, 3.0, -2.0)); EXPECT_DOUBLE_EQ(mol.radius(), sqrt(3.)); } TEST_F(MoleculeTest, bestFitPlane) { Array coords; coords.push_back(Avogadro::Vector3(0.0, 1.0, 1.0)); coords.push_back(Avogadro::Vector3(0.0, 1.0, -1.0)); coords.push_back(Avogadro::Vector3(0.0, -1.0, 1.0)); coords.push_back(Avogadro::Vector3(0.0, -1.0, -1.0)); std::pair bestFitPlane = Molecule::bestFitPlane(coords); EXPECT_DOUBLE_EQ(bestFitPlane.first.x(), 0.0); EXPECT_DOUBLE_EQ(bestFitPlane.first.y(), 0.0); EXPECT_DOUBLE_EQ(bestFitPlane.first.z(), 0.0); EXPECT_DOUBLE_EQ(bestFitPlane.second.x(), 1.0); EXPECT_DOUBLE_EQ(bestFitPlane.second.y(), 0.0); EXPECT_DOUBLE_EQ(bestFitPlane.second.z(), 0.0); coords.clear(); coords.push_back(Avogadro::Vector3(3.0, 0.0, 0.0)); coords.push_back(Avogadro::Vector3(0.0, 3.0, 0.0)); coords.push_back(Avogadro::Vector3(0.0, 0.0, 3.0)); bestFitPlane = Molecule::bestFitPlane(coords); EXPECT_DOUBLE_EQ(bestFitPlane.first.x(), 1.0); EXPECT_DOUBLE_EQ(bestFitPlane.first.y(), 1.0); EXPECT_DOUBLE_EQ(bestFitPlane.first.z(), 1.0); EXPECT_DOUBLE_EQ(bestFitPlane.second.x(), -sqrt(3.) / 3.); EXPECT_DOUBLE_EQ(bestFitPlane.second.y(), -sqrt(3.) / 3.); EXPECT_DOUBLE_EQ(bestFitPlane.second.z(), -sqrt(3.) / 3.); Molecule mol; Atom a = mol.addAtom(8); mol.setAtomPosition3d(a.index(), Avogadro::Vector3(3.0, 0.0, 0.0)); a = mol.addAtom(1); mol.setAtomPosition3d(a.index(), Avogadro::Vector3(0.0, 3.0, 0.0)); a = mol.addAtom(1); mol.setAtomPosition3d(a.index(), Avogadro::Vector3(0.0, 0.0, 3.0)); bestFitPlane = mol.bestFitPlane(); EXPECT_DOUBLE_EQ(bestFitPlane.first.x(), 1.0); EXPECT_DOUBLE_EQ(bestFitPlane.first.y(), 1.0); EXPECT_DOUBLE_EQ(bestFitPlane.first.z(), 1.0); EXPECT_DOUBLE_EQ(bestFitPlane.second.x(), -sqrt(3.) / 3.); EXPECT_DOUBLE_EQ(bestFitPlane.second.y(), -sqrt(3.) / 3.); EXPECT_DOUBLE_EQ(bestFitPlane.second.z(), -sqrt(3.) / 3.); } TEST_F(MoleculeTest, persistentBond) { Molecule molecule; Atom a1 = molecule.addAtom(5); Atom a2 = molecule.addAtom(6); Atom a3 = molecule.addAtom(7); Atom a4 = molecule.addAtom(8); Bond b[5]; b[0] = molecule.addBond(a1, a2, 1); b[1] = molecule.addBond(a1, a3, 2); b[2] = molecule.addBond(a1, a4, 3); b[3] = molecule.addBond(a4, a3, 2); b[4] = molecule.addBond(a2, a3, 1); Molecule::PersistentBondType pbond[5]; for (int i = 0; i < 4; ++i) pbond[i].set(b[i]); pbond[4].set(&molecule, molecule.bondUniqueId(b[4])); EXPECT_EQ(pbond[0].bond().order(), 1); EXPECT_EQ(pbond[1].bond().order(), 2); EXPECT_EQ(pbond[2].bond().order(), 3); EXPECT_EQ(pbond[3].bond().order(), 2); EXPECT_EQ(pbond[4].bond().order(), 1); molecule.removeBond(b[2]); EXPECT_EQ(pbond[0].bond().order(), 1); EXPECT_EQ(pbond[1].bond().order(), 2); EXPECT_TRUE(pbond[4].isValid()); EXPECT_FALSE(pbond[2].isValid()); EXPECT_EQ(pbond[3].bond().order(), 2); EXPECT_EQ(pbond[4].bond().order(), 1); EXPECT_EQ(pbond[3].bond(), b[3]); } TEST_F(MoleculeTest, persistentBondRestore) { Molecule molecule; Atom a1 = molecule.addAtom(5); Atom a2 = molecule.addAtom(6); Atom a3 = molecule.addAtom(7); Atom a4 = molecule.addAtom(8); Bond b[5]; b[0] = molecule.addBond(a1, a2, 1); b[1] = molecule.addBond(a1, a3, 2); b[2] = molecule.addBond(a1, a4, 3); b[3] = molecule.addBond(a4, a3, 2); b[4] = molecule.addBond(a2, a3, 1); Molecule::PersistentBondType pbond[5]; for (int i = 0; i < 5; ++i) pbond[i].set(&molecule, molecule.bondUniqueId(b[i])); molecule.removeBond(b[2]); EXPECT_EQ(pbond[0].bond().order(), 1); EXPECT_EQ(pbond[1].bond().order(), 2); EXPECT_TRUE(pbond[4].isValid()); EXPECT_FALSE(pbond[2].isValid()); EXPECT_EQ(pbond[3].bond().order(), 2); EXPECT_EQ(pbond[4].bond().order(), 1); EXPECT_EQ(pbond[3].bond(), b[3]); molecule.addBond(a1, a4, 3, pbond[2].uniqueIdentifier()); EXPECT_TRUE(pbond[2].isValid()); EXPECT_EQ(pbond[2].bond().order(), 3); } TEST_F(MoleculeTest, copy) { Molecule copy(m_testMolecule); assertEqual(m_testMolecule, copy); EXPECT_EQ(copy.atomByUniqueId(0).atomicNumber(), 8); EXPECT_EQ(copy.atomByUniqueId(1).atomicNumber(), 1); EXPECT_EQ(copy.atomByUniqueId(2).atomicNumber(), 1); EXPECT_FALSE(copy.atomByUniqueId(3).isValid()); EXPECT_EQ(copy.bondByUniqueId(0).atom1().atomicNumber(), 8); EXPECT_EQ(copy.bondByUniqueId(0).atom2().atomicNumber(), 1); EXPECT_EQ(copy.bondByUniqueId(1).atom1().atomicNumber(), 8); EXPECT_EQ(copy.bondByUniqueId(1).atom2().atomicNumber(), 1); EXPECT_FALSE(copy.bondByUniqueId(2).isValid()); } TEST_F(MoleculeTest, assignment) { Molecule assign; assign = m_testMolecule; assertEqual(m_testMolecule, assign); EXPECT_EQ(assign.atomByUniqueId(0).atomicNumber(), 8); EXPECT_EQ(assign.atomByUniqueId(1).atomicNumber(), 1); EXPECT_EQ(assign.atomByUniqueId(2).atomicNumber(), 1); EXPECT_FALSE(assign.atomByUniqueId(3).isValid()); EXPECT_EQ(assign.bondByUniqueId(0).atom1().atomicNumber(), 8); EXPECT_EQ(assign.bondByUniqueId(0).atom2().atomicNumber(), 1); EXPECT_EQ(assign.bondByUniqueId(1).atom1().atomicNumber(), 8); EXPECT_EQ(assign.bondByUniqueId(1).atom2().atomicNumber(), 1); EXPECT_FALSE(assign.bondByUniqueId(2).isValid()); } TEST_F(MoleculeTest, baseAssignment) { // Create a base molecule Avogadro::Core::Molecule baseMolecule; Atom o1 = baseMolecule.addAtom(8); Atom h2 = baseMolecule.addAtom(1); Atom h3 = baseMolecule.addAtom(1); Bond b[2]; b[0] = baseMolecule.addBond(o1, h2, 1); b[1] = baseMolecule.addBond(o1, h3, 2); o1.setPosition3d(Avogadro::Vector3(0, 0, 0)); h2.setPosition3d(Avogadro::Vector3(0.6, -0.5, 0)); h3.setPosition3d(Avogadro::Vector3(-0.6, -0.5, 0)); o1.setPosition2d(Avogadro::Vector2(0, 0)); h2.setPosition2d(Avogadro::Vector2(0.6, -0.5)); h3.setPosition2d(Avogadro::Vector2(-0.6, -0.5)); // Add some data Avogadro::Core::VariantMap data; data.setValue("test", Avogadro::Core::Variant("test")); baseMolecule.setDataMap(data); Mesh* mesh = baseMolecule.addMesh(); Array vertices; Array normals; Array colors; Color3f color = Color3f(23, 23, 23); colors.push_back(color); Avogadro::Vector3f vec(1.2f, 1.3f, 1.4f); vertices.push_back(vec); normals.push_back(vec); mesh->setColors(colors); mesh->setNormals(normals); mesh->setVertices(vertices); mesh->setIsoValue(1.2f); mesh->setName("testmesh"); mesh->setOtherMesh(1); mesh->setStable(false); Avogadro::QtGui::Molecule qtMolecule; qtMolecule.addAtom(6); Atom a1 = qtMolecule.addAtom(4); Atom a2 = qtMolecule.addAtom(5); qtMolecule.addBond(a1, a2); qtMolecule = baseMolecule; assertEqual(baseMolecule, qtMolecule); // Check the ids have reset EXPECT_EQ(qtMolecule.atomByUniqueId(0).atomicNumber(), o1.atomicNumber()); EXPECT_EQ(qtMolecule.atomByUniqueId(1).atomicNumber(), h2.atomicNumber()); EXPECT_EQ(qtMolecule.atomByUniqueId(2).atomicNumber(), h3.atomicNumber()); EXPECT_FALSE(qtMolecule.atomByUniqueId(3).isValid()); EXPECT_EQ(qtMolecule.bondByUniqueId(0).atom1().atomicNumber(), b[0].atom1().atomicNumber()); EXPECT_EQ(qtMolecule.bondByUniqueId(0).atom2().atomicNumber(), b[0].atom2().atomicNumber()); EXPECT_EQ(qtMolecule.bondByUniqueId(1).atom1().atomicNumber(), b[1].atom1().atomicNumber()); EXPECT_EQ(qtMolecule.bondByUniqueId(1).atom2().atomicNumber(), b[1].atom2().atomicNumber()); EXPECT_FALSE(qtMolecule.bondByUniqueId(2).isValid()); } avogadrolibs-1.100.0/tests/qtgui/molequeuequeuelistmodeltest.cpp000066400000000000000000000106031474375334400252250ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include using Avogadro::MoleQueue::MoleQueueQueueListModel; // Allow access to protected members (like ctor, setQueueList) class MoleQueueQueueListModelTestBridge { private: MoleQueueQueueListModel m_model; public: MoleQueueQueueListModel& model() { return m_model; } void setQueueList(QList queueList, QList programList) { m_model.setQueueList(queueList, programList); } }; namespace { // Populate the model with a testing set of queues and programs. The queues and // programs arguments will be overwritten by the data set in the model. // Queues are named "Queue M", where M is in the range (0, numQueues]. // Programs are named "QMPN", where M is the queue id, and N is the program id. // The number of programs is determined by N = ((M+3) * (M+2)) % 5 + 2. void populateModel(MoleQueueQueueListModelTestBridge& model, int numQueues, QStringList& queues, QList& programs) { queues.clear(); programs.clear(); for (int queueId = 1; queueId <= numQueues; ++queueId) { queues.append(QString("Queue %1").arg(queueId)); programs.append(QStringList()); QStringList& programList = programs.back(); const int numPrograms = ((queueId + 3) * (queueId + 2)) % 5 + 2; for (int programId = 1; programId <= numPrograms; ++programId) programList.append(QString("Q%1P%2").arg(queueId).arg(programId)); } model.setQueueList(queues, programs); } } // namespace TEST(MoleQueueQueueListModelTest, setQueues) { MoleQueueQueueListModelTestBridge modelBridge; MoleQueueQueueListModel& model = modelBridge.model(); QStringList refQueues; QList refPrograms; populateModel(modelBridge, 10, refQueues, refPrograms); EXPECT_EQ(10, model.queues().size()); EXPECT_EQ(refQueues, model.queues()); QListIterator queueIter(refQueues); QListIterator programIter(refPrograms); while (queueIter.hasNext() && programIter.hasNext()) EXPECT_EQ(programIter.next(), model.programs(queueIter.next())); EXPECT_FALSE(programIter.hasNext() || queueIter.hasNext()) << "queue/program size mismatch."; } TEST(MoleQueueQueueListModelTest, findQueueIndices) { MoleQueueQueueListModelTestBridge modelBridge; MoleQueueQueueListModel& model = modelBridge.model(); QStringList refQueues; QList refPrograms; populateModel(modelBridge, 10, refQueues, refPrograms); QModelIndexList matches = model.findQueueIndices("Queue 7"); EXPECT_EQ(1, matches.size()); EXPECT_EQ( model.data(matches.front(), Qt::DisplayRole).toString().toStdString(), std::string("Queue 7")); } TEST(MoleQueueQueueListModelTest, findProgramIndices) { MoleQueueQueueListModelTestBridge modelBridge; MoleQueueQueueListModel& model = modelBridge.model(); QStringList refQueues; QList refPrograms; populateModel(modelBridge, 10, refQueues, refPrograms); QModelIndexList matches = model.findProgramIndices("Q7P2"); EXPECT_EQ(1, matches.size()); EXPECT_EQ( model.data(matches.front(), Qt::DisplayRole).toString().toStdString(), std::string("Q7P2")); // All 10 queues should have a program #2: matches = model.findProgramIndices("P2"); EXPECT_EQ(10, matches.size()); // Should match programs from queue 1 and 10: matches = model.findProgramIndices("P2", "Queue 1"); EXPECT_EQ(2, matches.size()); // nothing should match this matches = model.findProgramIndices("No match"); EXPECT_EQ(0, matches.size()); } TEST(MoleQueueQueueListModelTest, lookupProgram) { MoleQueueQueueListModelTestBridge modelBridge; MoleQueueQueueListModel& model = modelBridge.model(); QStringList refQueues; QList refPrograms; populateModel(modelBridge, 10, refQueues, refPrograms); QModelIndexList matches = model.findProgramIndices("Q7P2"); EXPECT_EQ(1, matches.size()); QString queue; QString program; EXPECT_TRUE(model.lookupProgram(matches.front(), queue, program)); EXPECT_EQ(std::string("Queue 7"), queue.toStdString()); EXPECT_EQ(std::string("Q7P2"), program.toStdString()); } avogadrolibs-1.100.0/tests/qtgui/qtguitests.h.in000066400000000000000000000002061474375334400216260ustar00rootroot00000000000000#ifndef AVOGADRO_QTGUITESTS_H #define AVOGADRO_QTGUITESTS_H #define AVOGADRO_DATA "@AVOGADRO_DATA@" #endif // AVOGADRO_QTGUITESTS_H avogadrolibs-1.100.0/tests/qtgui/rwmoleculetest.cpp000066400000000000000000000573101474375334400224260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include using Avogadro::Index; using Avogadro::Real; using Avogadro::Vector3; using Avogadro::Core::Array; using Avogadro::QtGui::Molecule; using Avogadro::QtGui::RWMolecule; // TODO move this to an algorithms header #include #include #include #include template std::string formula(const MoleculeType& mol) { // Adapted from chemkit: // A map of atomic symbols to their quantity. std::map composition; for (Array::const_iterator it = mol.atomicNumbers().begin(), itEnd = mol.atomicNumbers().end(); it != itEnd; ++it) { composition[*it]++; } std::stringstream result; std::map::iterator iter; // Carbons first iter = composition.find(6); if (iter != composition.end()) { result << "C"; if (iter->second > 1) result << iter->second; composition.erase(iter); // If carbon is present, hydrogens are next. iter = composition.find(1); if (iter != composition.end()) { result << "H"; if (iter->second > 1) result << iter->second; composition.erase(iter); } } // The rest: iter = composition.begin(); while (iter != composition.end()) { result << Avogadro::Core::Elements::symbol(iter->first); if (iter->second > 1) result << iter->second; ++iter; } return result.str(); } TEST(RWMoleculeTest, addAtom) { Molecule m; RWMolecule mol(m); mol.addAtom(1); // H mol.addAtom(5); // B mol.addAtom(6); // C mol.addAtom(7); // N mol.addAtom(8); // O EXPECT_EQ(5, mol.atomCount()); EXPECT_EQ(std::string("CHBNO"), formula(mol)); mol.undoStack().undo(); EXPECT_EQ(4, mol.atomCount()); EXPECT_EQ(std::string("CHBN"), formula(mol)); mol.undoStack().undo(); EXPECT_EQ(3, mol.atomCount()); EXPECT_EQ(std::string("CHB"), formula(mol)); mol.undoStack().undo(); EXPECT_EQ(2, mol.atomCount()); EXPECT_EQ(std::string("HB"), formula(mol)); mol.undoStack().undo(); EXPECT_EQ(1, mol.atomCount()); EXPECT_EQ(std::string("H"), formula(mol)); mol.undoStack().undo(); EXPECT_EQ(0, mol.atomCount()); EXPECT_FALSE(mol.undoStack().canUndo()); mol.undoStack().redo(); EXPECT_EQ(1, mol.atomCount()); EXPECT_EQ(std::string("H"), formula(mol)); mol.undoStack().redo(); EXPECT_EQ(2, mol.atomCount()); EXPECT_EQ(std::string("HB"), formula(mol)); mol.undoStack().redo(); EXPECT_EQ(3, mol.atomCount()); EXPECT_EQ(std::string("CHB"), formula(mol)); mol.undoStack().redo(); EXPECT_EQ(4, mol.atomCount()); EXPECT_EQ(std::string("CHBN"), formula(mol)); mol.undoStack().redo(); EXPECT_EQ(5, mol.atomCount()); EXPECT_EQ(std::string("CHBNO"), formula(mol)); EXPECT_FALSE(mol.undoStack().canRedo()); // Are the uids what we expect? for (Index i = 0; i < 5; ++i) EXPECT_EQ(i, mol.atomUniqueId(i)); } TEST(RWMoleculeTest, removeAtom) { Molecule m; RWMolecule mol(m); typedef RWMolecule::AtomType Atom; Atom a0 = mol.addAtom(1); // H Atom a1 = mol.addAtom(2); // He Atom a2 = mol.addAtom(3); // Li Atom a3 = mol.addAtom(4); // Be Atom a4 = mol.addAtom(5); // B const Vector3 pos(Real(1), Real(2), Real(3)); mol.setAtomPosition3d(0, pos); ASSERT_EQ(5, mol.atomCount()); ASSERT_EQ(std::string("HHeLiBeB"), formula(mol)); // Add some bonds to ensure that they are properly added/removed when a bonded // atom is removed. ASSERT_TRUE(mol.addBond(a0, a1, 0).isValid()); ASSERT_TRUE(mol.addBond(a1, a2, 1).isValid()); ASSERT_TRUE(mol.addBond(a2, a3, 2).isValid()); ASSERT_TRUE(mol.addBond(a3, a4, 3).isValid()); ASSERT_TRUE(mol.addBond(a0, a2, 4).isValid()); ASSERT_TRUE(mol.addBond(a1, a3, 5).isValid()); ASSERT_TRUE(mol.addBond(a2, a4, 6).isValid()); ASSERT_TRUE(mol.addBond(a0, a3, 7).isValid()); ASSERT_TRUE(mol.addBond(a1, a4, 8).isValid()); ASSERT_TRUE(mol.addBond(a0, a4, 9).isValid()); ASSERT_EQ(10, mol.bondCount()); EXPECT_TRUE(mol.removeAtom(2)); EXPECT_EQ(4, mol.atomCount()); EXPECT_EQ(6, mol.bondCount()); EXPECT_EQ(std::string("HHeBeB"), formula(mol)); EXPECT_FALSE(mol.atomByUniqueId(2).isValid()); EXPECT_FALSE(mol.bondByUniqueId(1).isValid()); EXPECT_FALSE(mol.bondByUniqueId(2).isValid()); EXPECT_FALSE(mol.bondByUniqueId(4).isValid()); EXPECT_FALSE(mol.bondByUniqueId(6).isValid()); EXPECT_TRUE(mol.removeAtom(0)); EXPECT_EQ(3, mol.atomCount()); EXPECT_EQ(3, mol.bondCount()); EXPECT_EQ(std::string("HeBeB"), formula(mol)); EXPECT_FALSE(mol.atomByUniqueId(0).isValid()); EXPECT_FALSE(mol.bondByUniqueId(0).isValid()); EXPECT_FALSE(mol.bondByUniqueId(7).isValid()); EXPECT_FALSE(mol.bondByUniqueId(9).isValid()); // atom 0 was the only one with a position, so all positions should be 0,0,0: for (Index i = 0; i < mol.atomCount(); ++i) { EXPECT_EQ(Real(0), mol.atomPosition3d(i).x()) << " for atom index " << i; EXPECT_EQ(Real(0), mol.atomPosition3d(i).y()) << " for atom index " << i; EXPECT_EQ(Real(0), mol.atomPosition3d(i).z()) << " for atom index " << i; } mol.undoStack().undo(); EXPECT_EQ(4, mol.atomCount()); EXPECT_EQ(6, mol.bondCount()); EXPECT_EQ(std::string("HHeBeB"), formula(mol)); EXPECT_FALSE(mol.atomByUniqueId(2).isValid()); EXPECT_FALSE(mol.bondByUniqueId(1).isValid()); EXPECT_FALSE(mol.bondByUniqueId(2).isValid()); EXPECT_FALSE(mol.bondByUniqueId(4).isValid()); EXPECT_FALSE(mol.bondByUniqueId(6).isValid()); EXPECT_TRUE(mol.atomByUniqueId(0).isValid()); EXPECT_TRUE(mol.bondByUniqueId(0).isValid()); EXPECT_TRUE(mol.bondByUniqueId(7).isValid()); EXPECT_TRUE(mol.bondByUniqueId(9).isValid()); EXPECT_EQ(pos.x(), mol.atomPosition3d(0).x()); EXPECT_EQ(pos.y(), mol.atomPosition3d(0).y()); EXPECT_EQ(pos.z(), mol.atomPosition3d(0).z()); mol.undoStack().undo(); ASSERT_EQ(5, mol.atomCount()); ASSERT_EQ(10, mol.bondCount()); ASSERT_EQ(std::string("HHeLiBeB"), formula(mol)); for (Index i = 0; i < mol.atomCount(); ++i) { EXPECT_EQ(static_cast(i + 1), mol.atomicNumber(i)); EXPECT_EQ(i, mol.atomUniqueId(i)); } #define VALIDATE_BOND(ind, atom1, atom2, order, uid) \ EXPECT_EQ(std::make_pair(Index(atom1), Index(atom2)), mol.bondPair(ind)); \ EXPECT_EQ(static_cast(order), mol.bondOrder(ind)); \ EXPECT_EQ(uid, mol.bondUniqueId(ind)) VALIDATE_BOND(0, 0, 1, 0, 0); VALIDATE_BOND(1, 1, 2, 1, 1); VALIDATE_BOND(2, 2, 3, 2, 2); VALIDATE_BOND(3, 3, 4, 3, 3); VALIDATE_BOND(4, 0, 2, 4, 4); VALIDATE_BOND(5, 1, 3, 5, 5); VALIDATE_BOND(6, 2, 4, 6, 6); VALIDATE_BOND(7, 0, 3, 7, 7); VALIDATE_BOND(8, 1, 4, 8, 8); VALIDATE_BOND(9, 0, 4, 9, 9); #undef VALIDATE_BOND } TEST(RWMoleculeTest, clearAtoms) { Molecule m; RWMolecule mol(m); typedef RWMolecule::AtomType Atom; Atom a0 = mol.addAtom(1); // H Atom a1 = mol.addAtom(2); // He Atom a2 = mol.addAtom(3); // Li Atom a3 = mol.addAtom(4); // Be Atom a4 = mol.addAtom(5); // B const Vector3 pos(Real(1), Real(2), Real(3)); mol.setAtomPosition3d(0, pos); ASSERT_EQ(5, mol.atomCount()); ASSERT_EQ(std::string("HHeLiBeB"), formula(mol)); // Add some bonds to ensure that they are properly added/removed when a bonded // atom is removed. ASSERT_TRUE(mol.addBond(a0, a1, 0).isValid()); ASSERT_TRUE(mol.addBond(a1, a2, 1).isValid()); ASSERT_TRUE(mol.addBond(a2, a3, 2).isValid()); ASSERT_TRUE(mol.addBond(a3, a4, 3).isValid()); ASSERT_TRUE(mol.addBond(a0, a2, 4).isValid()); ASSERT_TRUE(mol.addBond(a1, a3, 5).isValid()); ASSERT_TRUE(mol.addBond(a2, a4, 6).isValid()); ASSERT_TRUE(mol.addBond(a0, a3, 7).isValid()); ASSERT_TRUE(mol.addBond(a1, a4, 8).isValid()); ASSERT_TRUE(mol.addBond(a0, a4, 9).isValid()); ASSERT_EQ(10, mol.bondCount()); mol.clearAtoms(); EXPECT_EQ(0, mol.atomCount()); EXPECT_EQ(0, mol.bondCount()); mol.undoStack().undo(); ASSERT_EQ(5, mol.atomCount()); ASSERT_EQ(10, mol.bondCount()); ASSERT_EQ(std::string("HHeLiBeB"), formula(mol)); for (Index i = 0; i < mol.atomCount(); ++i) { EXPECT_EQ(static_cast(i + 1), mol.atomicNumber(i)); EXPECT_EQ(i, mol.atomUniqueId(i)); } #define VALIDATE_BOND(ind, atom1, atom2, order, uid) \ EXPECT_EQ(static_cast(order), mol.bondOrder(ind)); \ EXPECT_EQ(uid, mol.bondUniqueId(ind)) // This is disabled because the pair may come in any order // EXPECT_EQ(std::make_pair(Index(atom1), Index(atom2)), mol.bondPair(ind)); VALIDATE_BOND(0, 0, 1, 0, 0); VALIDATE_BOND(1, 1, 2, 1, 1); VALIDATE_BOND(2, 2, 3, 2, 2); VALIDATE_BOND(3, 3, 4, 3, 3); VALIDATE_BOND(4, 0, 2, 4, 4); VALIDATE_BOND(5, 1, 3, 5, 5); VALIDATE_BOND(6, 2, 4, 6, 6); VALIDATE_BOND(7, 0, 3, 7, 7); VALIDATE_BOND(8, 1, 4, 8, 8); VALIDATE_BOND(9, 0, 4, 9, 9); #undef VALIDATE_BOND } TEST(RWMoleculeTest, setAtomicNumbers) { Molecule m; RWMolecule mol(m); mol.addAtom(1); mol.addAtom(2); mol.addAtom(3); mol.addAtom(4); mol.addAtom(5); Array orig(mol.atomicNumbers()); Array rep(5); rep[0] = 6; rep[0] = 7; rep[0] = 8; rep[0] = 9; rep[0] = 10; mol.setAtomicNumbers(rep); ASSERT_TRUE(std::equal(mol.atomicNumbers().begin(), mol.atomicNumbers().end(), rep.begin())); mol.undoStack().undo(); EXPECT_TRUE(std::equal(mol.atomicNumbers().begin(), mol.atomicNumbers().end(), orig.begin())); } TEST(RWMoleculeTest, setAtomicNumber) { Molecule m; RWMolecule mol(m); mol.addAtom(1); mol.addAtom(2); mol.addAtom(3); mol.addAtom(4); mol.addAtom(5); mol.setAtomicNumber(0, 6); mol.setAtomicNumber(2, 7); mol.setAtomicNumber(4, 8); EXPECT_EQ(6, mol.atomicNumber(0)); EXPECT_EQ(2, mol.atomicNumber(1)); EXPECT_EQ(7, mol.atomicNumber(2)); EXPECT_EQ(4, mol.atomicNumber(3)); EXPECT_EQ(8, mol.atomicNumber(4)); mol.undoStack().undo(); EXPECT_EQ(5, mol.atomicNumber(4)); mol.undoStack().undo(); EXPECT_EQ(3, mol.atomicNumber(2)); mol.undoStack().undo(); EXPECT_EQ(1, mol.atomicNumber(0)); } TEST(RWMoleculeTest, setAtomPositions3d) { Molecule m; RWMolecule mol(m); mol.addAtom(1); mol.addAtom(2); mol.addAtom(3); mol.addAtom(4); mol.addAtom(5); // These will all be (0, 0, 0) auto oldPositions = mol.atomPositions3d(); mol.undoStack().clear(); Array pos; Real gen = 1; pos.push_back(Vector3(gen, gen, gen)); gen++; pos.push_back(Vector3(gen, gen, gen)); gen++; pos.push_back(Vector3(gen, gen, gen)); gen++; pos.push_back(Vector3(gen, gen, gen)); gen++; pos.push_back(Vector3(gen, gen, gen)); gen++; mol.setAtomPositions3d(pos); EXPECT_TRUE(std::equal(mol.atomPositions3d().begin(), mol.atomPositions3d().end(), pos.begin())); mol.undoStack().undo(); EXPECT_TRUE(std::equal(mol.atomPositions3d().begin(), mol.atomPositions3d().end(), oldPositions.begin())); mol.undoStack().redo(); EXPECT_TRUE(std::equal(mol.atomPositions3d().begin(), mol.atomPositions3d().end(), pos.begin())); mol.undoStack().undo(); // Test merging for interactive edits: mol.setInteractive(true); mol.setAtomPositions3d(pos); for (Array::iterator it = pos.begin(), itEnd = pos.end(); it != itEnd; ++it) { it->x() += static_cast(pos.size()); it->y() += static_cast(pos.size()); it->z() += static_cast(pos.size()); } mol.setAtomPositions3d(pos); mol.setInteractive(false); EXPECT_TRUE(std::equal(mol.atomPositions3d().begin(), mol.atomPositions3d().end(), pos.begin())); EXPECT_EQ(1, mol.undoStack().count()); mol.undoStack().undo(); EXPECT_TRUE(std::equal(mol.atomPositions3d().begin(), mol.atomPositions3d().end(), oldPositions.begin())); mol.undoStack().redo(); EXPECT_TRUE(std::equal(mol.atomPositions3d().begin(), mol.atomPositions3d().end(), pos.begin())); } TEST(RWMoleculeTest, setAtomPosition3d) { Molecule m; RWMolecule mol(m); mol.addAtom(1); mol.addAtom(2); mol.addAtom(3); mol.addAtom(4); mol.addAtom(5); mol.undoStack().clear(); // The positions will not be empty here because they are added when // atoms are added. mol.setAtomPosition3d(0, Vector3(Real(1), Real(2), Real(3))); EXPECT_EQ(mol.atomicNumbers().size(), mol.atomPositions3d().size()); EXPECT_EQ(Real(1), mol.atomPosition3d(0).x()); EXPECT_EQ(Real(2), mol.atomPosition3d(0).y()); EXPECT_EQ(Real(3), mol.atomPosition3d(0).z()); for (Index i = 1; i < 5; ++i) EXPECT_EQ(Vector3::Zero(), mol.atomPosition3d(i)); mol.undoStack().undo(); for (Index i = 0; i < 5; ++i) EXPECT_EQ(Vector3::Zero(), mol.atomPosition3d(i)); mol.undoStack().redo(); EXPECT_EQ(Real(1), mol.atomPosition3d(0).x()); EXPECT_EQ(Real(2), mol.atomPosition3d(0).y()); EXPECT_EQ(Real(3), mol.atomPosition3d(0).z()); for (Index i = 1; i < 5; ++i) EXPECT_EQ(Vector3::Zero(), mol.atomPosition3d(i)); mol.undoStack().undo(); mol.undoStack().clear(); // Test command merging for interactive editing: mol.setInteractive(true); mol.setAtomPosition3d(0, Vector3(Real(1), Real(2), Real(3))); mol.setAtomPosition3d(3, Vector3(Real(4), Real(5), Real(6))); mol.setAtomPosition3d(0, Vector3(Real(7), Real(8), Real(9))); mol.setAtomPosition3d(1, Vector3(Real(6), Real(4), Real(2))); mol.setInteractive(false); Array pos(mol.atomPositions3d()); EXPECT_EQ(Vector3(Real(7), Real(8), Real(9)), pos[0]); EXPECT_EQ(Vector3(Real(6), Real(4), Real(2)), pos[1]); EXPECT_EQ(Vector3::Zero(), pos[2]); EXPECT_EQ(Vector3(Real(4), Real(5), Real(6)), pos[3]); EXPECT_EQ(Vector3::Zero(), pos[4]); EXPECT_EQ(1, mol.undoStack().count()); mol.undoStack().undo(); for (Index i = 1; i < 5; ++i) EXPECT_EQ(Vector3::Zero(), mol.atomPosition3d(i)); mol.undoStack().redo(); EXPECT_TRUE( std::equal(pos.begin(), pos.end(), mol.atomPositions3d().begin())); } TEST(RWMoleculeTest, addBond) { Molecule m; RWMolecule mol(m); RWMolecule::AtomType a0 = mol.addAtom(1); RWMolecule::AtomType a1 = mol.addAtom(2); mol.addAtom(3); mol.undoStack().clear(); ASSERT_EQ(0, mol.bondCount()); EXPECT_TRUE(mol.addBond(a0, a1).isValid()); EXPECT_TRUE(mol.addBond(1, 2, 2).isValid()); EXPECT_FALSE(mol.addBond(1, 8, 2).isValid()); EXPECT_EQ(2, mol.bondCount()); mol.undoStack().undo(); EXPECT_EQ(1, mol.bondCount()); EXPECT_TRUE(mol.bond(a0, a1).isValid()); EXPECT_TRUE(mol.bond(a1, a0).isValid()); EXPECT_TRUE(mol.bond(1, 0).isValid()); EXPECT_FALSE(mol.bond(1, 2).isValid()); mol.undoStack().redo(); EXPECT_EQ(2, mol.bondCount()); EXPECT_TRUE(mol.bond(1, 0).isValid()); EXPECT_TRUE(mol.bond(1, 2).isValid()); EXPECT_EQ(1, mol.bondOrder(0)); EXPECT_EQ(2, mol.bondOrder(1)); } TEST(RWMoleculeTest, removeBond) { Molecule m; RWMolecule mol(m); mol.addAtom(1); mol.addAtom(2); mol.addAtom(3); mol.addAtom(4); mol.addBond(0, 1); mol.addBond(1, 2, 2); mol.addBond(2, 3, 3); ASSERT_EQ(3, mol.bondCount()); mol.undoStack().clear(); #define VALIDATE_BOND(ind, atom1, atom2, order, uid) \ EXPECT_EQ(std::make_pair(Index(atom1), Index(atom2)), mol.bondPair(ind)); \ EXPECT_EQ(static_cast(order), mol.bondOrder(ind)); \ EXPECT_EQ(uid, mol.bondUniqueId(ind)) VALIDATE_BOND(0, 0, 1, 1, 0); VALIDATE_BOND(1, 1, 2, 2, 1); VALIDATE_BOND(2, 2, 3, 3, 2); mol.removeBond(mol.atom(1), mol.atom(2)); VALIDATE_BOND(0, 0, 1, 1, 0); VALIDATE_BOND(1, 2, 3, 3, 2); mol.removeBond(1); VALIDATE_BOND(0, 0, 1, 1, 0); mol.undoStack().undo(); VALIDATE_BOND(0, 0, 1, 1, 0); VALIDATE_BOND(1, 2, 3, 3, 2); mol.removeBond(mol.bond(0)); VALIDATE_BOND(0, 2, 3, 3, 2); mol.undoStack().undo(); mol.undoStack().undo(); VALIDATE_BOND(0, 0, 1, 1, 0); VALIDATE_BOND(1, 1, 2, 2, 1); VALIDATE_BOND(2, 2, 3, 3, 2); #undef VALIDATE_BOND } TEST(RWMoleculeTest, clearBonds) { Molecule m; RWMolecule mol(m); mol.addAtom(1); mol.addAtom(2); mol.addAtom(3); mol.addAtom(4); mol.addBond(0, 1); mol.addBond(1, 2, 2); mol.addBond(2, 3, 3); ASSERT_EQ(3, mol.bondCount()); mol.undoStack().clear(); Array> pairs(mol.bondPairs()); Array ords(mol.bondOrders()); mol.clearBonds(); EXPECT_EQ(0, mol.bondCount()); mol.undoStack().undo(); EXPECT_EQ(3, mol.bondCount()); EXPECT_TRUE(std::equal(pairs.begin(), pairs.end(), mol.bondPairs().begin())); EXPECT_TRUE(std::equal(ords.begin(), ords.end(), mol.bondOrders().begin())); } TEST(RWMoleculeTest, setBondOrders) { Molecule m; RWMolecule mol(m); mol.addAtom(1); mol.addAtom(2); mol.addAtom(3); mol.addAtom(4); mol.addBond(0, 1); mol.addBond(1, 2, 2); mol.addBond(2, 3, 3); ASSERT_EQ(3, mol.bondCount()); ASSERT_EQ(1, mol.bondOrder(0)); ASSERT_EQ(2, mol.bondOrder(1)); ASSERT_EQ(3, mol.bondOrder(2)); mol.undoStack().clear(); Array old(mol.bondOrders()); Array rep(old); for (Array::iterator it = rep.begin(), itEnd = rep.end(); it != itEnd; ++it) { *it += rep.size(); } mol.setBondOrders(rep); EXPECT_TRUE(std::equal(rep.begin(), rep.end(), mol.bondOrders().begin())); mol.undoStack().undo(); EXPECT_TRUE(std::equal(old.begin(), old.end(), mol.bondOrders().begin())); mol.undoStack().redo(); EXPECT_TRUE(std::equal(rep.begin(), rep.end(), mol.bondOrders().begin())); } TEST(RWMoleculeTest, setBondOrder) { Molecule m; RWMolecule mol(m); mol.addAtom(1); mol.addAtom(2); mol.addAtom(3); mol.addAtom(4); mol.addBond(0, 1); mol.addBond(1, 2, 2); mol.addBond(2, 3, 3); ASSERT_EQ(3, mol.bondCount()); ASSERT_EQ(1, mol.bondOrder(0)); ASSERT_EQ(2, mol.bondOrder(1)); ASSERT_EQ(3, mol.bondOrder(2)); mol.undoStack().clear(); // This undo behavior is a little different -- sequential changes to the // same bond's bond order are always merged. mol.setBondOrder(0, 2); mol.setBondOrder(0, 3); EXPECT_EQ(1, mol.undoStack().count()); mol.setBondOrder(2, 2); mol.setBondOrder(2, 1); EXPECT_EQ(2, mol.undoStack().count()); #define VALIDATE_BOND(ind, atom1, atom2, order, uid) \ EXPECT_EQ(std::make_pair(Index(atom1), Index(atom2)), mol.bondPair(ind)); \ EXPECT_EQ(static_cast(order), mol.bondOrder(ind)); \ EXPECT_EQ(uid, mol.bondUniqueId(ind)) VALIDATE_BOND(0, 0, 1, 3, 0); VALIDATE_BOND(1, 1, 2, 2, 1); VALIDATE_BOND(2, 2, 3, 1, 2); mol.undoStack().undo(); VALIDATE_BOND(0, 0, 1, 3, 0); VALIDATE_BOND(1, 1, 2, 2, 1); VALIDATE_BOND(2, 2, 3, 3, 2); mol.undoStack().undo(); VALIDATE_BOND(0, 0, 1, 1, 0); VALIDATE_BOND(1, 1, 2, 2, 1); VALIDATE_BOND(2, 2, 3, 3, 2); mol.undoStack().redo(); mol.undoStack().redo(); VALIDATE_BOND(0, 0, 1, 3, 0); VALIDATE_BOND(1, 1, 2, 2, 1); VALIDATE_BOND(2, 2, 3, 1, 2); #undef VALIDATE_BOND } TEST(RWMoleculeTest, setBondPairs) { Molecule m; RWMolecule mol(m); mol.addAtom(1); mol.addAtom(2); mol.addAtom(3); mol.addAtom(4); mol.addAtom(5); mol.addBond(0, 1); mol.addBond(1, 2, 2); mol.addBond(2, 3, 3); ASSERT_EQ(3, mol.bondCount()); ASSERT_EQ(Molecule::makeBondPair(0, 1), mol.bondPair(0)); ASSERT_EQ(Molecule::makeBondPair(1, 2), mol.bondPair(1)); ASSERT_EQ(Molecule::makeBondPair(2, 3), mol.bondPair(2)); mol.undoStack().clear(); typedef std::pair BondPair; Array old(mol.bondPairs()); Array rep(old); for (Array::iterator it = rep.begin(), itEnd = rep.end(); it != itEnd; ++it) { ++it->second; } mol.setBondPairs(rep); EXPECT_TRUE(std::equal(rep.begin(), rep.end(), mol.bondPairs().begin())); mol.undoStack().undo(); EXPECT_TRUE(std::equal(old.begin(), old.end(), mol.bondPairs().begin())); mol.undoStack().redo(); EXPECT_TRUE(std::equal(rep.begin(), rep.end(), mol.bondPairs().begin())); } TEST(RWMoleculeTest, setBondPair) { Molecule m; RWMolecule mol(m); mol.addAtom(1); mol.addAtom(2); mol.addAtom(3); mol.addAtom(4); mol.addAtom(5); mol.addBond(0, 1); mol.addBond(1, 2, 2); mol.addBond(2, 3, 3); ASSERT_EQ(3, mol.bondCount()); ASSERT_EQ(Molecule::makeBondPair(0, 1), mol.bondPair(0)); ASSERT_EQ(Molecule::makeBondPair(1, 2), mol.bondPair(1)); ASSERT_EQ(Molecule::makeBondPair(2, 3), mol.bondPair(2)); mol.undoStack().clear(); mol.setBondPair(0, Molecule::makeBondPair(0, 2)); mol.setBondPair(2, Molecule::makeBondPair(2, 4)); #define VALIDATE_BOND(ind, atom1, atom2, order, uid) \ EXPECT_EQ(std::make_pair(Index(atom1), Index(atom2)), mol.bondPair(ind)); \ EXPECT_EQ(static_cast(order), mol.bondOrder(ind)); \ EXPECT_EQ(uid, mol.bondUniqueId(ind)) VALIDATE_BOND(0, 0, 2, 1, 0); VALIDATE_BOND(1, 1, 2, 2, 1); VALIDATE_BOND(2, 2, 4, 3, 2); mol.undoStack().undo(); VALIDATE_BOND(0, 0, 2, 1, 0); VALIDATE_BOND(1, 1, 2, 2, 1); VALIDATE_BOND(2, 2, 3, 3, 2); mol.undoStack().undo(); VALIDATE_BOND(0, 0, 1, 1, 0); VALIDATE_BOND(1, 1, 2, 2, 1); VALIDATE_BOND(2, 2, 3, 3, 2); mol.undoStack().redo(); mol.undoStack().redo(); VALIDATE_BOND(0, 0, 2, 1, 0); VALIDATE_BOND(1, 1, 2, 2, 1); VALIDATE_BOND(2, 2, 4, 3, 2); #undef VALIDATE_BOND } TEST(RWMoleculeTest, AtomType) { Molecule m; RWMolecule mol(m); typedef RWMolecule::AtomType Atom; Atom a0 = mol.addAtom(1); Atom a1 = mol.addAtom(2); EXPECT_TRUE(a0.isValid()); EXPECT_FALSE(Atom().isValid()); EXPECT_FALSE(Atom(&mol, 2).isValid()); EXPECT_EQ(&mol, a0.molecule()); EXPECT_EQ(0, a0.index()); EXPECT_EQ(1, a0.atomicNumber()); EXPECT_EQ(1, mol.atomicNumber(0)); EXPECT_EQ(2, a1.atomicNumber()); EXPECT_EQ(2, mol.atomicNumber(1)); a0.setPosition3d(Vector3(Real(3), Real(4), Real(5))); a1.setPosition3d(Vector3(Real(6), Real(7), Real(8))); EXPECT_EQ(Vector3(Real(3), Real(4), Real(5)), a0.position3d()); EXPECT_EQ(Vector3(Real(3), Real(4), Real(5)), mol.atomPosition3d(0)); EXPECT_EQ(Vector3(Real(6), Real(7), Real(8)), a1.position3d()); EXPECT_EQ(Vector3(Real(6), Real(7), Real(8)), mol.atomPosition3d(1)); Atom other(&mol, 0); EXPECT_EQ(a0, other); EXPECT_NE(a1, other); } TEST(RWMoleculeTest, BondType) { Molecule m; RWMolecule mol(m); typedef RWMolecule::AtomType Atom; typedef RWMolecule::BondType Bond; Atom a0 = mol.addAtom(1); Atom a1 = mol.addAtom(2); Atom a2 = mol.addAtom(3); Bond b0 = mol.addBond(a0, a1); Bond b1 = mol.addBond(1, 2); Bond invalid = mol.addBond(0, 9); EXPECT_TRUE(b0.isValid()); EXPECT_FALSE(invalid.isValid()); EXPECT_FALSE(Bond().isValid()); EXPECT_FALSE(Bond(&mol, 3).isValid()); EXPECT_EQ(&mol, b0.molecule()); EXPECT_EQ(0, b0.index()); EXPECT_EQ(a0, b0.atom1()); EXPECT_EQ(a2, b1.atom2()); b1.setOrder(2); EXPECT_EQ(2, b1.order()); EXPECT_EQ(2, mol.bondOrder(1)); Bond other(&mol, 0); EXPECT_EQ(b0, other); EXPECT_NE(b1, other); } TEST(RWMoleculeTest, MoleculeToRWMolecule) { Molecule mol; typedef Molecule::AtomType Atom; typedef Molecule::BondType Bond; Atom a0 = mol.addAtom(1); Atom a1 = mol.addAtom(6); Atom a2 = mol.addAtom(9); Bond b0 = mol.addBond(a0, a2); a1.setPosition3d(Vector3(0, 6, 9)); b0.setOrder(3); RWMolecule rwmol(mol, nullptr); EXPECT_EQ(rwmol.atomCount(), mol.atomCount()); EXPECT_EQ(rwmol.bondCount(), mol.bondCount()); EXPECT_EQ(rwmol.atom(2).atomicNumber(), mol.atom(2).atomicNumber()); EXPECT_EQ(rwmol.bond(0).order(), mol.bond(0).order()); } avogadrolibs-1.100.0/tests/qtopengl/000077500000000000000000000000001474375334400173365ustar00rootroot00000000000000avogadrolibs-1.100.0/tests/qtopengl/CMakeLists.txt000066400000000000000000000035201474375334400220760ustar00rootroot00000000000000include_directories("${AvogadroLibs_BINARY_DIR}/avogadro/qtgui" "${AvogadroLibs_BINARY_DIR}/avogadro/rendering" "${AvogadroLibs_BINARY_DIR}/avogadro/qtopengl" "${CMAKE_CURRENT_BINARY_DIR}") find_package(OpenGL REQUIRED) include_directories(SYSTEM ${OPENGL_INCLUDE_DIR}) find_package(Qt5 COMPONENTS Widgets REQUIRED) include_directories(SYSTEM ${Qt5Widgets_INCLUDE_DIRS}) add_definitions(${Qt5Widgets_DEFINITIONS}) # We want to find some parts of VTK in order to do image comparisons. find_package(VTK COMPONENTS vtkImagingCore vtkRenderingQt vtkIOImage NO_MODULE REQUIRED) include_directories(SYSTEM ${VTK_INCLUDE_DIRS}) if(AVOGADRO_DATA_ROOT) set(AVOGADRO_DATA ${AVOGADRO_DATA_ROOT}) else() message("No data root found, please set to run the tests.") return() endif() # Setup config file with data location configure_file("${CMAKE_CURRENT_SOURCE_DIR}/qtopengltests.h.in" "${CMAKE_CURRENT_BINARY_DIR}/qtopengltests.h" @ONLY) # List of tests to be added, the name will be changed to lower case with # test.cpp appended. The main function of each test is expected to be lower # cased version with test appended, e.g. GLWidget -> glwidgettest. set(tests GLWidget QtTextLabel QtTextRenderStrategy ) foreach(test ${tests}) string(TOLOWER ${test} testname) list(APPEND testSrcs ${testname}test.cpp) endforeach() create_test_sourcelist(testDriver qtopengltests.cpp ${testSrcs}) add_executable(AvogadroQtOpenGLTests ${testDriver}) target_link_libraries(AvogadroQtOpenGLTests Avogadro::QtOpenGL vtkImagingCore vtkIOImage vtkRenderingQt) foreach(test ${tests}) string(TOLOWER ${test} testname) add_test(NAME "QtOpenGL-${test}" COMMAND AvogadroQtOpenGLTests "${testname}test" "--baseline" "${AVOGADRO_DATA_ROOT}/baselines/avogadro/qtopengl" "--temporary" "${PROJECT_BINARY_DIR}/Testing/Temporary") endforeach() avogadrolibs-1.100.0/tests/qtopengl/glwidgettest.cpp000066400000000000000000000043301474375334400225500ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include #include #include #include #include using Avogadro::Vector3f; using Avogadro::Vector3ub; using Avogadro::QtOpenGL::GLWidget; using Avogadro::Rendering::GeometryNode; using Avogadro::Rendering::SphereGeometry; using Avogadro::VtkTesting::ImageRegressionTest; int glwidgettest(int argc, char* argv[]) { // Set up the default format for our GL contexts. QSurfaceFormat defaultFormat = QSurfaceFormat::defaultFormat(); defaultFormat.setSamples(4); QSurfaceFormat::setDefaultFormat(defaultFormat); QApplication app(argc, argv); GLWidget widget; widget.setGeometry(10, 10, 250, 250); widget.show(); GeometryNode* geometry = new GeometryNode; SphereGeometry* spheres = new SphereGeometry; geometry->addDrawable(spheres); spheres->addSphere(Vector3f(0, 0, 0), Vector3ub(255, 0, 0), 0.5); spheres->addSphere(Vector3f(2, 0, 0), Vector3ub(0, 255, 0), 1.5); spheres->addSphere(Vector3f(0, 2, 1), Vector3ub(0, 0, 255), 1.0); widget.renderer().scene().rootNode().addChild(geometry); // Make sure the widget renders the scene, and store it in a QImage. widget.raise(); widget.repaint(); // Run the application for a while, and then quit so we can save an image. QTimer timer; timer.setSingleShot(true); app.connect(&timer, SIGNAL(timeout()), SLOT(quit())); timer.start(200); app.exec(); // Grab the frame buffer of the GLWidget and save it to a QImage. QImage image = widget.grabFramebuffer(); // Set up the image regression test. ImageRegressionTest test(argc, argv); // Do the image threshold test, printing output to the std::cout for ctest. return test.imageThresholdTest(image, std::cout); } avogadrolibs-1.100.0/tests/qtopengl/qtopengltests.h.in000066400000000000000000000002171474375334400230300ustar00rootroot00000000000000#ifndef AVOGADRO_QTOPENGLTESTS_H #define AVOGADRO_QTOPENGLTESTS_H #define AVOGADRO_DATA "@AVOGADRO_DATA@" #endif // AVOGADRO_QTOPENGLTESTS_H avogadrolibs-1.100.0/tests/qtopengl/qttextlabeltest.cpp000066400000000000000000000140171474375334400232760ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include #include #include #include #include #include #include #include #include #include using Avogadro::Vector2f; using Avogadro::Vector2i; using Avogadro::Vector3f; using Avogadro::Vector3ub; using Avogadro::QtOpenGL::GLWidget; using Avogadro::Rendering::GeometryNode; using Avogadro::Rendering::SphereGeometry; using Avogadro::Rendering::TextLabel2D; using Avogadro::Rendering::TextLabel3D; using Avogadro::Rendering::TextProperties; using Avogadro::VtkTesting::ImageRegressionTest; int qttextlabeltest(int argc, char* argv[]) { // Set up the default format for our GL contexts. QSurfaceFormat defaultFormat = QSurfaceFormat::defaultFormat(); defaultFormat.setSamples(4); QSurfaceFormat::setDefaultFormat(defaultFormat); // Create and show widget QApplication app(argc, argv); GLWidget widget; widget.setGeometry(10, 10, 500, 500); widget.show(); // Create scene GeometryNode* geometry = new GeometryNode; widget.renderer().scene().rootNode().addChild(geometry); // Add a small sphere at the origin for reference: SphereGeometry* spheres = new SphereGeometry; spheres->addSphere(Vector3f::Zero(), Vector3ub(128, 128, 128), 0.1f); geometry->addDrawable(spheres); // Default text property: TextProperties tprop; // Test alignment: TextLabel3D* l3 = nullptr; TextLabel2D* l2 = nullptr; // 3D: tprop.setColorRgb(255, 0, 0); tprop.setAlign(TextProperties::HLeft, TextProperties::VTop); l3 = new TextLabel3D; l3->setText("Upper Left Anchor"); l3->setAnchor(Vector3f::Zero()); l3->setTextProperties(tprop); geometry->addDrawable(l3); tprop.setColorRgb(0, 255, 0); tprop.setAlign(TextProperties::HLeft, TextProperties::VBottom); l3 = new TextLabel3D; l3->setText("Bottom Left Anchor"); l3->setAnchor(Vector3f::Zero()); l3->setTextProperties(tprop); geometry->addDrawable(l3); tprop.setColorRgb(0, 0, 255); tprop.setAlign(TextProperties::HRight, TextProperties::VTop); l3 = new TextLabel3D; l3->setText("Upper Right Anchor"); l3->setAnchor(Vector3f::Zero()); l3->setTextProperties(tprop); geometry->addDrawable(l3); tprop.setColorRgb(255, 255, 0); tprop.setAlign(TextProperties::HRight, TextProperties::VBottom); l3 = new TextLabel3D; l3->setText("Bottom Right Anchor"); l3->setAnchor(Vector3f::Zero()); l3->setTextProperties(tprop); geometry->addDrawable(l3); tprop.setColorRgba(255, 255, 255, 220); tprop.setRotationDegreesCW(90.f); tprop.setAlign(TextProperties::HCenter, TextProperties::VCenter); l3 = new TextLabel3D; l3->setText("Centered Anchor (3D)"); l3->setAnchor(Vector3f::Zero()); l3->setTextProperties(tprop); l3->setRenderPass(Avogadro::Rendering::TranslucentPass); geometry->addDrawable(l3); tprop.setRotationDegreesCW(0.f); tprop.setAlpha(255); // 2D: tprop.setColorRgb(255, 0, 0); tprop.setAlign(TextProperties::HLeft, TextProperties::VTop); l2 = new TextLabel2D; l2->setText("Upper Left Corner"); l2->setAnchor(Vector2i(0, widget.height())); l2->setTextProperties(tprop); geometry->addDrawable(l2); tprop.setColorRgb(0, 255, 0); tprop.setAlign(TextProperties::HLeft, TextProperties::VBottom); l2 = new TextLabel2D; l2->setText("Bottom Left Corner"); l2->setAnchor(Vector2i(0, 0)); l2->setTextProperties(tprop); geometry->addDrawable(l2); tprop.setColorRgb(0, 0, 255); tprop.setAlign(TextProperties::HRight, TextProperties::VTop); l2 = new TextLabel2D; l2->setText("Upper Right Corner"); l2->setAnchor(Vector2i(widget.width(), widget.height())); l2->setTextProperties(tprop); geometry->addDrawable(l2); tprop.setColorRgb(255, 255, 0); tprop.setAlign(TextProperties::HRight, TextProperties::VBottom); l2 = new TextLabel2D; l2->setText("Bottom Right Corner"); l2->setAnchor(Vector2i(widget.width(), 0)); l2->setTextProperties(tprop); geometry->addDrawable(l2); tprop.setColorRgba(255, 255, 255, 220); tprop.setAlign(TextProperties::HCenter, TextProperties::VCenter); l2 = new TextLabel2D; l2->setText("Centered Anchor (2D)"); l2->setAnchor(Vector2i(widget.width() / 2, widget.height() / 2)); l2->setTextProperties(tprop); geometry->addDrawable(l2); // Test the TextLabel3D's radius feature: spheres->addSphere(Vector3f(0.f, 6.f, 0.f), Vector3ub(255, 255, 255), 1.f); tprop.setColorRgba(255, 128, 64, 255); tprop.setRotationDegreesCW(90.f); l3 = new TextLabel3D; l3->setText("Clipped"); l3->setAnchor(Vector3f(0.f, 6.f, 0.f)); l3->setTextProperties(tprop); geometry->addDrawable(l3); tprop.setColorRgba(64, 128, 255, 255); tprop.setRotationDegreesCW(45.f); l3 = new TextLabel3D; l3->setText("Projected"); l3->setAnchor(Vector3f(0.f, 6.f, 0.f)); l3->setTextProperties(tprop); l3->setRadius(1.f); geometry->addDrawable(l3); // Make sure the widget renders the scene, and store it in a QImage. widget.raise(); widget.repaint(); // Run the application for a while, and then quit so we can save an image. QTimer timer; timer.setSingleShot(true); app.connect(&timer, SIGNAL(timeout()), SLOT(quit())); timer.start(200); app.exec(); // Grab the frame buffer of the GLWidget and save it to a QImage. QImage image = widget.grabFramebuffer(); // Set up the image regression test. ImageRegressionTest test(argc, argv); // Do the image threshold test, printing output to the std::cout for ctest. return test.imageThresholdTest(image, std::cout); } avogadrolibs-1.100.0/tests/qtopengl/qttextrenderstrategytest.cpp000066400000000000000000000127411474375334400252630ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include "qtopengltests.h" #include #include #include #include #include #include #include typedef Avogadro::QtOpenGL::QtTextRenderStrategy Strategy; typedef Avogadro::Rendering::TextRenderStrategy Interface; using Avogadro::Vector2i; using Avogadro::Rendering::TextProperties; // Need to start an app to load fonts #define START_QAPP \ int argc = 1; \ char argName[] = "FakeApp.exe"; \ char* argv[2] = { argName, nullptr }; \ QApplication app(argc, argv); \ Q_UNUSED(app) namespace { bool newInstance() { bool result = true; Strategy orig; Interface* clone = orig.newInstance(); if (dynamic_cast(clone) == nullptr) result = false; delete clone; return result; } bool boundingBox() { bool result = true; START_QAPP; Strategy strategy; TextProperties tprop; std::string testString("Testing string\nwith newlines!"); tprop.setFontFamily(TextProperties::SansSerif); tprop.setPixelHeight(27); tprop.setHAlign(TextProperties::HCenter); tprop.setVAlign(TextProperties::VCenter); int bbox[4]; // Valid sizes: int refbbox_1[4] = { -86, 85, -28, 27 }; int refbbox_2[4] = { -69, 68, -27, 26 }; strategy.boundingBox(testString, tprop, bbox); if (!std::equal(bbox, bbox + 4, refbbox_1) && !std::equal(bbox, bbox + 4, refbbox_2)) { qCritical() << "boundingBox() failed: " << bbox[0] << bbox[1] << bbox[2] << bbox[3]; result = false; } return result; } // Helpers for rendering tests: bool compareComponents(unsigned char a, unsigned char b) { // Allow small differences in component values. return std::abs(a - b) <= 2; } float validateBaseline(unsigned char* buffer, size_t numPixels, const std::string& fileName) { static const std::string baselineDir( AVOGADRO_DATA "/baselines/avogadro/qtgui/qttextrenderstrategy/"); QImage refImage; if (!refImage.load(QString::fromStdString(baselineDir + fileName))) qWarning() << "Error loading file" << QString::fromStdString(fileName); refImage = refImage.convertToFormat(QImage::Format_ARGB32_Premultiplied); return std::equal(buffer, buffer + (numPixels * 4), refImage.constBits(), compareComponents); } bool testRenderedString(Strategy& strategy, const std::string& str, const TextProperties& tprop, const std::string& refFilename) { int bbox[4]; strategy.boundingBox(str, tprop, bbox); const Vector2i dims(bbox[1] - bbox[0] + 1, bbox[3] - bbox[2] + 1); std::vector buffer(dims[0] * dims[1] * 4); if (buffer.empty()) return false; strategy.render(str, tprop, &buffer[0], dims); return validateBaseline(&buffer[0], dims[0] * dims[1], refFilename); } // Useful for making new baselines: void saveRenderedString(Strategy& strategy, const std::string& str, const TextProperties& tprop, const std::string& filename) { int bbox[4]; strategy.boundingBox(str, tprop, bbox); const Vector2i dims(bbox[1] - bbox[0] + 1, bbox[3] - bbox[2] + 1); std::vector buffer(dims[0] * dims[1] * 4); if (buffer.empty()) return; strategy.render(str, tprop, &buffer[0], dims); QImage img(&buffer[0], dims[0], dims[1], QImage::Format_ARGB32_Premultiplied); img.save(QString::fromStdString(filename)); } bool render() { bool result = true; START_QAPP; Strategy strategy; // Keep the buffer in a format that we can save with a QImage: strategy.setPreserveArgb(true); std::string str("Testing string\nwith newlines!\nSome lines are longer..."); TextProperties tprop; tprop.setFontFamily(TextProperties::SansSerif); tprop.setPixelHeight(27); tprop.setColorRgb(63, 127, 255); tprop.setVAlign(TextProperties::VTop); tprop.setHAlign(TextProperties::HLeft); if (!testRenderedString(strategy, str, tprop, "renderedString1.png")) result = false; tprop.setRotationDegreesCW(25); tprop.setRed(255); tprop.setBlue(63); tprop.setAlpha(200); tprop.setVAlign(TextProperties::VCenter); tprop.setHAlign(TextProperties::HCenter); tprop.setItalic(true); tprop.setBold(true); if (!testRenderedString(strategy, str, tprop, "renderedString2.png")) result = false; tprop.setRotationDegreesCW(300); tprop.setRed(255); tprop.setBlue(255); tprop.setAlpha(127); tprop.setVAlign(TextProperties::VBottom); tprop.setHAlign(TextProperties::HRight); tprop.setFontStyles(TextProperties::Underline); if (!testRenderedString(strategy, str, tprop, "renderedString3.png")) result = false; return result; } } // namespace // Driver function: int qttextrenderstrategytest(int, char** const) { bool result = true; if (!newInstance()) result = false; if (!boundingBox()) result = false; if (!render()) result = false; return result ? EXIT_SUCCESS : EXIT_FAILURE; } avogadrolibs-1.100.0/tests/rendering/000077500000000000000000000000001474375334400174625ustar00rootroot00000000000000avogadrolibs-1.100.0/tests/rendering/CMakeLists.txt000066400000000000000000000020371474375334400222240ustar00rootroot00000000000000# Specify the name of each test (the Test will be appended where needed). set(tests Camera Node SphereGeometry ) find_package(OpenGL REQUIRED) include_directories(SYSTEM ${OPENGL_INCLUDE_DIR}) include_directories("${CMAKE_CURRENT_BINARY_DIR}" "${AvogadroLibs_BINARY_DIR}/avogadro/rendering") # Build up the source file names. set(testSrcs "") foreach(TestName ${tests}) message(STATUS "Adding ${TestName} test.") string(TOLOWER ${TestName} testname) list(APPEND testSrcs ${testname}test.cpp) endforeach() message(STATUS "Test source files: ${testSrcs}") # Add a single executable for all of our tests. add_executable(AvogadroRenderingTests ${testSrcs}) target_link_libraries(AvogadroRenderingTests Avogadro::Rendering ${GTEST_BOTH_LIBRARIES} ${EXTRA_LINK_LIB}) # Now add all of the tests, using the gtest_filter argument so that only those # cases are run in each test invocation. foreach(TestName ${tests}) add_test(NAME "Rendering-${TestName}" COMMAND AvogadroRenderingTests "--gtest_filter=${TestName}Test.*") endforeach() avogadrolibs-1.100.0/tests/rendering/absoluteoverlayquadstrategytest.cpp000066400000000000000000000033661474375334400267540ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include typedef Avogadro::Rendering::AbsoluteOverlayQuadStrategy Strategy; using Avogadro::Vector2f; using Avogadro::Vector2i; using Avogadro::Vector3f; using Avogadro::Core::Array; using Avogadro::Rendering::Camera; TEST(AbsoluteOverlayQuadStrategyTest, exercise) { Strategy s; Vector2i anchor(15, 25); s.setAnchor(anchor); EXPECT_EQ(anchor, s.anchor()); Vector2f dims(50.f, 61.f); s.setDimensions(dims); EXPECT_EQ(dims, s.dimensions()); Strategy::HAlign hAlign(Strategy::HLeft); Strategy::VAlign vAlign(Strategy::VBottom); s.setAlign(hAlign, vAlign); EXPECT_EQ(hAlign, s.hAlign()); EXPECT_EQ(vAlign, s.vAlign()); Camera camera; // Configure for overlay: camera.setIdentity(); camera.setViewport(400, 400); camera.calculateOrthographic(0.f, 400.f, 0.f, 400.f, -1.f, 1.f); Array quad(s.quad(camera)); ASSERT_EQ(4, quad.size()); EXPECT_FLOAT_EQ(15, quad[0][0]); EXPECT_FLOAT_EQ(86, quad[0][1]); EXPECT_FLOAT_EQ(0, quad[0][2]); EXPECT_FLOAT_EQ(65, quad[1][0]); EXPECT_FLOAT_EQ(86, quad[1][1]); EXPECT_FLOAT_EQ(0, quad[1][2]); EXPECT_FLOAT_EQ(15, quad[2][0]); EXPECT_FLOAT_EQ(25, quad[2][1]); EXPECT_FLOAT_EQ(0, quad[2][2]); EXPECT_FLOAT_EQ(65, quad[3][0]); EXPECT_FLOAT_EQ(25, quad[3][1]); EXPECT_FLOAT_EQ(0, quad[3][2]); } avogadrolibs-1.100.0/tests/rendering/absolutequadstrategytest.cpp000066400000000000000000000036651474375334400253540ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include typedef Avogadro::Rendering::AbsoluteQuadStrategy Strategy; using Avogadro::Vector2f; using Avogadro::Vector3f; using Avogadro::Core::Array; using Avogadro::Rendering::Camera; TEST(AbsoluteQuadStrategyTest, exercise) { Strategy s; Vector2f dims(501.2f, 612.5f); s.setDimensions(dims); EXPECT_EQ(dims, s.dimensions()); Strategy::HAlign hAlign(Strategy::HRight); s.setHAlign(hAlign); EXPECT_EQ(hAlign, s.hAlign()); Strategy::VAlign vAlign(Strategy::VBottom); s.setVAlign(vAlign); EXPECT_EQ(vAlign, s.vAlign()); Vector3f normal(Vector3f(3.f, 4.f, 5.f).normalized()); s.setNormal(normal); EXPECT_EQ(normal, s.normal()); Vector3f up(Vector3f(1.f, 5.f, 7.f).normalized()); s.setUp(up); EXPECT_EQ(up, s.up()); Vector3f anchor(9.3f, 2.1f, -1.8f); s.setAnchor(anchor); EXPECT_EQ(anchor, s.anchor()); Camera camera; // dummy, doesn't affect resulting quad. Array quad(s.quad(camera)); ASSERT_EQ(4, quad.size()); EXPECT_FLOAT_EQ(-460.86874f, quad[0][0]); EXPECT_FLOAT_EQ(-326.70682f, quad[0][1]); EXPECT_FLOAT_EQ(543.34692f, quad[0][2]); EXPECT_FLOAT_EQ(-537.40002f, quad[1][0]); EXPECT_FLOAT_EQ(81.459717f, quad[1][1]); EXPECT_FLOAT_EQ(262.73242f, quad[1][2]); EXPECT_FLOAT_EQ(85.831268f, quad[2][0]); EXPECT_FLOAT_EQ(-406.06653f, quad[2][1]); EXPECT_FLOAT_EQ(278.81454f, quad[2][2]); EXPECT_FLOAT_EQ(9.2999878f, quad[3][0]); EXPECT_FLOAT_EQ(2.1000061f, quad[3][1]); EXPECT_FLOAT_EQ(-1.7999573f, quad[3][2]); } avogadrolibs-1.100.0/tests/rendering/billboardquadstrategytest.cpp000066400000000000000000000067241474375334400254670ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include typedef Avogadro::Rendering::BillboardQuadStrategy Strategy; using Avogadro::Vector2f; using Avogadro::Vector3f; using Avogadro::Core::Array; using Avogadro::Rendering::Camera; TEST(BillboardQuadStrategyTest, exercise) { Strategy s; Vector3f anchor(9.3f, 2.1f, -1.8f); s.setAnchor(anchor); EXPECT_EQ(anchor, s.anchor()); float radius = 3.4f; s.setRadius(radius); EXPECT_EQ(radius, s.radius()); bool useCameraUp = false; s.setUseCameraUp(useCameraUp); EXPECT_EQ(useCameraUp, s.useCameraUp()); Vector3f up(Vector3f(1.f, 5.f, 7.f).normalized()); s.setUp(up); EXPECT_EQ(up, s.up()); Vector2f dims(501.2f, 612.5f); s.setDimensions(dims); EXPECT_EQ(dims, s.dimensions()); Strategy::HAlign hAlign(Strategy::HRight); s.setHAlign(hAlign); EXPECT_EQ(hAlign, s.hAlign()); Strategy::VAlign vAlign(Strategy::VBottom); s.setVAlign(vAlign); EXPECT_EQ(vAlign, s.vAlign()); Camera camera; camera.setIdentity(); camera.rotate(136.2f, Vector3f(205.f, 603.f, -141.f).normalized()); camera.translate(Vector3f(-13.2f, 15.6f, 102.f)); Array quad(s.quad(camera)); ASSERT_EQ(4, quad.size()); EXPECT_FLOAT_EQ(243.83968f, quad[0][0]); EXPECT_FLOAT_EQ(-185.99776f, quad[0][1]); EXPECT_FLOAT_EQ(730.30627f, quad[0][2]); EXPECT_FLOAT_EQ(389.97992f, quad[1][0]); EXPECT_FLOAT_EQ(194.00380f, quad[1][1]); EXPECT_FLOAT_EQ(437.99942f, quad[1][2]); EXPECT_FLOAT_EQ(-134.35634f, quad[2][0]); EXPECT_FLOAT_EQ(-379.83984f, quad[2][1]); EXPECT_FLOAT_EQ(289.22885f, quad[2][2]); EXPECT_FLOAT_EQ(11.783905f, quad[3][0]); EXPECT_FLOAT_EQ(0.16171265f, quad[3][1]); EXPECT_FLOAT_EQ(-3.0780029f, quad[3][2]); // Test the useCameraUp options: useCameraUp = true; s.setUseCameraUp(useCameraUp); EXPECT_EQ(useCameraUp, s.useCameraUp()); quad = s.quad(camera); ASSERT_EQ(4, quad.size()); EXPECT_FLOAT_EQ(538.01459f, quad[0][0]); EXPECT_FLOAT_EQ(371.01038f, quad[0][1]); EXPECT_FLOAT_EQ(457.25916f, quad[0][2]); EXPECT_FLOAT_EQ(387.27307f, quad[1][0]); EXPECT_FLOAT_EQ(484.04947f, quad[1][1]); EXPECT_FLOAT_EQ(-7.1766663f, quad[1][2]); EXPECT_FLOAT_EQ(162.52542f, quad[2][0]); EXPECT_FLOAT_EQ(-112.87738f, quad[2][1]); EXPECT_FLOAT_EQ(461.35785f, quad[2][2]); EXPECT_FLOAT_EQ(11.783905f, quad[3][0]); EXPECT_FLOAT_EQ(0.16171265f, quad[3][1]); EXPECT_FLOAT_EQ(-3.0779662f, quad[3][2]); // Rotating the camera should update the quad: camera.preRotate(36.f, Vector3f::UnitY()); quad = s.quad(camera); ASSERT_EQ(4, quad.size()); EXPECT_FLOAT_EQ(727.31494f, quad[0][0]); EXPECT_FLOAT_EQ(218.08212f, quad[0][1]); EXPECT_FLOAT_EQ(-255.12888f, quad[0][2]); EXPECT_FLOAT_EQ(383.45709f, quad[1][0]); EXPECT_FLOAT_EQ(486.99631f, quad[1][1]); EXPECT_FLOAT_EQ(-8.8598633f, quad[1][2]); EXPECT_FLOAT_EQ(351.82578f, quad[2][0]); EXPECT_FLOAT_EQ(-265.80563f, quad[2][1]); EXPECT_FLOAT_EQ(-251.03018f, quad[2][2]); EXPECT_FLOAT_EQ(7.967926f, quad[3][0]); EXPECT_FLOAT_EQ(3.108551f, quad[3][1]); EXPECT_FLOAT_EQ(-4.7611632f, quad[3][2]); } avogadrolibs-1.100.0/tests/rendering/cameratest.cpp000066400000000000000000000066601474375334400223260ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include using Avogadro::Vector3f; using Avogadro::Rendering::Camera; void setUpOrthographic(Camera& camera) { camera.calculateOrthographic(0, 10, 0, 10, 0, 1); } TEST(CameraTest, perspective) { Camera camera; camera.calculatePerspective(40, 1.5, 1, 10); // Load in a known value for the result of this matrix. Eigen::Matrix4f expected; expected << 1.83165f, 0.0f, 0.0f, 0.0f, 0.0f, 2.74748f, 0.0f, 0.0f, 0.0f, 0.0f, -1.22222f, -2.22222f, 0.0f, 0.0f, -1.0f, 0.0f; EXPECT_TRUE(camera.projection().matrix().isApprox(expected)); // If it is incorrect then print out the result. if (!camera.projection().matrix().isApprox(expected)) { std::cout << "Error: No match\n" << camera.projection().matrix() << "\nexpected\n" << expected << std::endl; } } TEST(CameraTest, orthographic) { Camera camera; camera.calculateOrthographic(0, 10, 0, 10, 0, 1); // Load in a known value for the result of this matrix. Eigen::Matrix4f expected; expected << 0.2f, 0.0f, 0.0f, -1.0f, 0.0f, 0.2f, 0.0f, -1.0f, 0.0f, 0.0f, -2.0f, -1.0f, 0.0f, 0.0f, 0.0f, 1.0f; EXPECT_TRUE(camera.projection().matrix().isApprox(expected)); // If it is incorrect then print out the result. if (!camera.projection().matrix().isApprox(expected)) { std::cout << "Error: No match\n" << camera.projection().matrix() << "\nexpected\n" << expected << std::endl; } } TEST(CameraTest, projectOrthographic) { Camera camera; camera.calculateOrthographic(0, 10, 0, 10, 0, 1); camera.setViewport(100, 100); Vector3f position = camera.project(Vector3f(1.0, 2.0, 0.0)); Vector3f expected(10.0, 20.0, 0.0); EXPECT_TRUE(position.isApprox(expected)); if (!position.isApprox(expected)) { std::cout << "Error: No match\n" << position << std::endl; } } TEST(CameraTest, projectPerspective) { Camera camera; camera.calculatePerspective(40, 1.5, 1, 10); camera.preTranslate(Vector3f(0, 0, -10)); camera.setViewport(100, 100); Vector3f position = camera.project(Vector3f(1.0, 2.0, 0.0)); Vector3f expected(59.1583f, 77.4748f, 1.0f); EXPECT_TRUE(position.isApprox(expected)); if (!position.isApprox(expected)) { std::cout << "Error: No match\n" << position << std::endl; } } TEST(CameraTest, unProjectOrthographic) { Camera camera; camera.calculateOrthographic(0, 10, 0, 10, 0, 1); camera.setViewport(100, 100); Vector3f position = camera.unProject(Vector3f(10, 25, 0)); Vector3f expected(1.0, 7.5, 0.0); EXPECT_TRUE(position.isApprox(expected)); if (!position.isApprox(expected)) { std::cout << "Error: No match\n" << position << std::endl; } } TEST(CameraTest, unProjectPerspective) { Camera camera; camera.calculatePerspective(40, 1.5, 1, 10); camera.preTranslate(Vector3f(0, 0, -10)); camera.setViewport(100, 100); Vector3f position = camera.unProject(Vector3f(10, 25, 0)); Vector3f expected(-0.436764f, 0.181985f, 9.0f); EXPECT_TRUE(position.isApprox(expected)); if (!position.isApprox(expected)) { std::cout << "Error: No match\n" << position << std::endl; } } avogadrolibs-1.100.0/tests/rendering/nodetest.cpp000066400000000000000000000022721474375334400220160ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include using Avogadro::Rendering::GroupNode; using Avogadro::Rendering::Node; TEST(NodeTest, children) { GroupNode root; Node* child1 = new Node; Node* child2 = new Node; root.addChild(child1); root.addChild(child2); EXPECT_EQ(&root, child1->parent()); EXPECT_EQ(&root, child2->parent()); EXPECT_EQ(child1, root.child(0)); EXPECT_EQ(child2, root.child(1)); } TEST(NodeTest, removeChild) { GroupNode root; Node* child1 = new Node; Node* child2 = new Node; root.addChild(child1); root.addChild(child2); EXPECT_EQ(child1, root.child(0)); EXPECT_EQ(root.removeChild(child1), true); EXPECT_EQ(root.removeChild(child1), false); EXPECT_EQ(child2, root.child(0)); EXPECT_EQ(nullptr, child1->parent()); EXPECT_EQ(&root, child2->parent()); EXPECT_EQ(root.removeChild(child2), true); delete child1; delete child2; } avogadrolibs-1.100.0/tests/rendering/overlayquadstrategytest.cpp000066400000000000000000000033351474375334400252110ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include #include typedef Avogadro::Rendering::OverlayQuadStrategy Strategy; using Avogadro::Vector2f; using Avogadro::Vector3f; using Avogadro::Core::Array; using Avogadro::Rendering::Camera; TEST(OverlayQuadStrategyTest, exercise) { Strategy s; Vector2f anchor(0.1f, 0.6f); s.setAnchor(anchor); EXPECT_EQ(anchor, s.anchor()); Vector2f dims(50.f, 61.f); s.setDimensions(dims); EXPECT_EQ(dims, s.dimensions()); Strategy::HAlign hAlign(Strategy::HLeft); s.setHAlign(hAlign); EXPECT_EQ(hAlign, s.hAlign()); Strategy::VAlign vAlign(Strategy::VBottom); s.setVAlign(vAlign); EXPECT_EQ(vAlign, s.vAlign()); Camera camera; // Configure for overlay: camera.setIdentity(); camera.setViewport(400, 400); camera.calculateOrthographic(0.f, 400.f, 0.f, 400.f, -1.f, 1.f); Array quad(s.quad(camera)); ASSERT_EQ(4, quad.size()); EXPECT_FLOAT_EQ(40, quad[0][0]); EXPECT_FLOAT_EQ(301, quad[0][1]); EXPECT_FLOAT_EQ(0, quad[0][2]); EXPECT_FLOAT_EQ(90, quad[1][0]); EXPECT_FLOAT_EQ(301, quad[1][1]); EXPECT_FLOAT_EQ(0, quad[1][2]); EXPECT_FLOAT_EQ(40, quad[2][0]); EXPECT_FLOAT_EQ(240, quad[2][1]); EXPECT_FLOAT_EQ(0, quad[2][2]); EXPECT_FLOAT_EQ(90, quad[3][0]); EXPECT_FLOAT_EQ(240, quad[3][1]); EXPECT_FLOAT_EQ(0, quad[3][2]); } avogadrolibs-1.100.0/tests/rendering/spheregeometrytest.cpp000066400000000000000000000036171474375334400241370ustar00rootroot00000000000000/****************************************************************************** This source file is part of the Avogadro project. This source code is released under the 3-Clause BSD License, (see "LICENSE"). ******************************************************************************/ #include #include #include #include using Avogadro::Vector3f; using Avogadro::Vector3ub; using Avogadro::Rendering::GeometryNode; using Avogadro::Rendering::SphereGeometry; TEST(SphereGeometryTest, children) { GeometryNode root; SphereGeometry* child1 = new SphereGeometry; SphereGeometry* child2 = new SphereGeometry; root.addDrawable(child1); root.addDrawable(child2); EXPECT_EQ(&root, child1->parent()); EXPECT_EQ(&root, child2->parent()); EXPECT_EQ(child1, root.drawable(0)); EXPECT_EQ(child2, root.drawable(1)); } TEST(SphereGeometryTest, removeChild) { GeometryNode root; SphereGeometry* child1 = new SphereGeometry; SphereGeometry* child2 = new SphereGeometry; root.addDrawable(child1); root.addDrawable(child2); EXPECT_EQ(child1, root.drawable(0)); EXPECT_EQ(root.removeDrawable(child1), true); EXPECT_EQ(root.removeDrawable(child1), false); EXPECT_EQ(child2, root.drawable(0)); EXPECT_EQ(nullptr, child1->parent()); EXPECT_EQ(&root, child2->parent()); EXPECT_EQ(root.removeDrawable(child2), true); delete child1; delete child2; } TEST(SphereGeometryTest, addSphere) { SphereGeometry node; node.addSphere(Vector3f(1.0, 2.0, 3.0), Vector3ub(200, 100, 50), 5.0); EXPECT_EQ(node.size(), static_cast(1)); } TEST(SphereGeometryTest, clear) { SphereGeometry node; node.addSphere(Vector3f(1.0, 2.0, 3.0), Vector3ub(200, 100, 50), 5.0); EXPECT_EQ(node.size(), static_cast(1)); node.clear(); EXPECT_EQ(node.size(), static_cast(0)); } avogadrolibs-1.100.0/thirdparty/000077500000000000000000000000001474375334400165355ustar00rootroot00000000000000avogadrolibs-1.100.0/thirdparty/CMakeLists.txt000066400000000000000000000036041474375334400213000ustar00rootroot00000000000000if(NOT TARGET gif-h) add_library(gif-h INTERFACE IMPORTED GLOBAL) target_include_directories(gif-h INTERFACE $) endif(NOT TARGET gif-h) # Only used by Qt plugin if (USE_QT) add_subdirectory(libgwavi) endif() if(USE_EXTERNAL_NLOHMANN) find_package(nlohmann_json 3.3.0 REQUIRED GLOBAL) else() add_library(nlohmann_json INTERFACE IMPORTED GLOBAL) target_include_directories(nlohmann_json INTERFACE $) add_library(nlohmann_json::nlohmann_json ALIAS nlohmann_json) endif(USE_EXTERNAL_NLOHMANN) if(USE_EXTERNAL_PUGIXML) find_package(pugixml 1.12 REQUIRED GLOBAL) else() set(_PUGIXML_ROOT ${CMAKE_CURRENT_SOURCE_DIR}/pugixml) add_library(pugixml STATIC ${_PUGIXML_ROOT}/pugixml.cpp) set_target_properties(pugixml PROPERTIES POSITION_INDEPENDENT_CODE ON) target_include_directories(pugixml PUBLIC $) add_library(pugixml::pugixml ALIAS pugixml) unset(_PUGIXML_ROOT) endif(USE_EXTERNAL_PUGIXML) if(USE_EXTERNAL_STRUCT) find_package(struct REQUIRED GLOBAL) else() set(_STRUCT_ROOT ${CMAKE_CURRENT_SOURCE_DIR}/struct) add_library(struct STATIC ${_STRUCT_ROOT}/struct.c ${_STRUCT_ROOT}/struct_endian.c ) set_target_properties(struct PROPERTIES POSITION_INDEPENDENT_CODE TRUE) target_include_directories(struct PUBLIC $) unset(_STRUCT_ROOT) endif(USE_EXTERNAL_STRUCT) if(NOT TARGET cppoptlib) add_library(cppoptlib INTERFACE IMPORTED GLOBAL) target_include_directories(cppoptlib INTERFACE $) endif(NOT TARGET cppoptlib) if(NOT TARGET tinycolormap) add_library(tinycolormap INTERFACE IMPORTED GLOBAL) target_include_directories(tinycolormap INTERFACE $) endif(NOT TARGET tinycolormap) avogadrolibs-1.100.0/thirdparty/cppoptlib/000077500000000000000000000000001474375334400205315ustar00rootroot00000000000000avogadrolibs-1.100.0/thirdparty/cppoptlib/BUILD000066400000000000000000000002511474375334400213110ustar00rootroot00000000000000cc_library( name = "cppoptlib", hdrs = glob([ "*.h", "solver/*.h", "linesearch/*.h", ]), visibility = ["//visibility:public"], ) avogadrolibs-1.100.0/thirdparty/cppoptlib/LICENSE000066400000000000000000000021661474375334400215430ustar00rootroot00000000000000The MIT License (MIT) Copyright (c) 2014-2015 Patrick Wieschollek Copyright (c) 2015- the respective contributors Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.avogadrolibs-1.100.0/thirdparty/cppoptlib/README.md000066400000000000000000000220621474375334400220120ustar00rootroot00000000000000CppOptimizationLibrary (Support for TensorFlow) ================================================================= [![Build Status](http://ci.patwie.com/api/badges/PatWie/CppNumericalSolvers/status.svg)](http://ci.patwie.com/PatWie/CppNumericalSolvers) A *header-only* library with bindings to **C++**, **[TensorFlow](https://www.tensorflow.org/)** and **Matlab**. Have you ever looked for a C++ function *fminsearch*, which is easy to use without adding tons of dependencies and without editing many setting-structs and without dependencies? Solve even your large-scale problems by using **TensorFlow+Python** to accelerate the minimization. See the TensorFlow-Example. All solvers are written scratch using Eigen, which means they are very easy to use. Want a full example? ```cpp class Rosenbrock : public Problem { public: double value(const Vector &x) { const double t1 = (1 - x[0]); const double t2 = (x[1] - x[0] * x[0]); return t1 * t1 + 100 * t2 * t2; } }; int main(int argc, char const *argv[]) { Rosenbrock f; Vector x(2); x << -1, 2; BfgsSolver solver; solver.minimize(f, x); std::cout << "argmin " << x.transpose() << std::endl; std::cout << "f in argmin " << f(x) << std::endl; return 0; } ``` To use another solver, simply replace `BfgsSolver` by another name. Supported solvers are: - gradient descent solver (GradientDescentSolver) - conjugate gradient descent solver (ConjugatedGradientDescentSolver) - Newton descent solver (NewtonDescentSolver) - BFGS solver (BfgsSolver) - L-BFGS solver (LbfgsSolver) - L-BFGS-B solver (LbfgsbSolver) - CMAes solver (CMAesSolver) - Nelder-Mead solver (NelderMeadSolver) These solvers are tested on the Rosenbrock function from multiple difficult starting points by unit tests using the Google Testing Framework. And yes, you can use them directly in MATLAB. Additional benchmark functions are *Beale, GoldsteinPrice, Booth, Matyas, Levi*. Note, not all solvers are equivalently good at all problems. For checking your gradient this library uses high-order central difference. Study the examples for more information about including box-constraints and gradient-information. Extensive Introduction ----------- There are currently two ways to use this library: directly in your C++ code or in MATLAB by calling the provided mex-File. ## TensorFlow You can use the expressive power of TensorFlow to accelerate the problem evaluation and compute reliable the gradients. You just write the problem in Python: ```python # y = x'Ax + b'x + c y = tf.matmul(x, tf.matmul(A, x, transpose_b=True)) + tf.matmul(x, b, transpose_b=True) + c dx = tf.gradients(y, x)[0] y = tf.identity(y, name='problem_objective') dx = tf.identity(dx, name='problem_gradient') ``` and let TensorFlow figure out how to evaluate this expression and the gradients. ## C++ There are several examples within the `src/examples` directory. These are built into `build/bin/examples` during `make all`. Checkout `rosenbrock.cpp`. Your objective and gradient computations should be stored into a tiny class. The most simple usage is ```cpp class YourProblem : public Problem { double value(const Vector &x) {} } ``` In contrast to previous versions of this library, I switched to classes instead of lambda function. If you poke the examples, you will notice that this is much easier to write and understand. The only method a problem has to provide is the `value` member, which returns the value of the objective function. For most solvers it should be useful to implement the gradient computation, too. Otherwise the library internally will use finite difference for gradient computations (which is definitely unstable and slow!). ```cpp class YourProblem : public Problem { double value(const Vector &x) {} void gradient(const Vector &x, Vector &grad) {} } ``` Notice, the gradient is passed by reference! After defining the problem it can be initialized in your code by: ```cpp // init problem YourProblem f; // test your gradient ONCE bool probably_correct = f.checkGradient(x); ``` By convention, a solver minimizes a given objective function starting in `x` ```cpp // choose a solver BfgsSolver solver; // and minimize the function solver.minimize(f, x); double minValue = f(x); ``` For convenience there are some typedefs: ```cpp cppoptlib::Vector is a column vector Eigen::Matrix; cppoptlib::Matrix is a matrix Eigen::Matrix; ``` ### full example ```cpp #include #include "../../include/cppoptlib/meta.h" #include "../../include/cppoptlib/problem.h" #include "../../include/cppoptlib/solver/bfgssolver.h" using namespace cppoptlib; using Eigen::VectorXd; class Rosenbrock : public Problem { public: using typename cppoptlib::Problem::Scalar; using typename cppoptlib::Problem::TVector; double value(const TVector &x) { const double t1 = (1 - x[0]); const double t2 = (x[1] - x[0] * x[0]); return t1 * t1 + 100 * t2 * t2; } void gradient(const TVector &x, TVector &grad) { grad[0] = -2 * (1 - x[0]) + 200 * (x[1] - x[0] * x[0]) * (-2 * x[0]); grad[1] = 200 * (x[1] - x[0] * x[0]); } }; int main(int argc, char const *argv[]) { Rosenbrock f; BfgsSolver solver; VectorXd x(2); x << -1, 2; solver.minimize(f, x); std::cout << "argmin " << x.transpose() << std::endl; std::cout << "f in argmin " << f(x) << std::endl; return 0; } ``` ### using box-constraints The `L-BFGS-B` algorithm allows to optimize functions with box-constraints, i.e., `min_x f(x) s.t. a <= x <= b` for some `a, b`. Given a `BoundedProblem`-class you can enter these constraints by ```cpp // init problem YourBoundedProblem f; f.setLowerBound(Vector::Zero(DIM)); f.setUpperBound(Vector::Ones(DIM)*5); // init solver cppoptlib::LbfgsbSolver solver; solver.minimize(f, x); ``` If you do not specify a bound, the algorithm will assume the unbounded case, eg. ```cpp // init problem YourBoundedProblem f; f.setLowerBound(Vector::Zero(DIM)); // init solver cppoptlib::LbfgsbSolver solver; solver.minimize(f, x); ``` will optimize in x s.t. `0 <= x`. See [src/examples/nonnegls.cpp](src/examples/nonnegls.cpp) for an example using L-BFGS-B to solve a bounded problem. ## within MATLAB Simply create a function file for the objective and replace `fminsearch` or `fminunc` with `cppoptlib`. If you want to use symbolic gradient or hessian information see file `example.m` for details. A basic example would be: ```matlab x0 = [-1,2]'; [fx,x] = cppoptlib(x0, @rosenbrock,'gradient',@rosenbrock_grad,'solver','bfgs'); fx = cppoptlib(x0, @rosenbrock); fx = fminsearch(x0, @rosenbrock); ``` Even optimizing without any gradient information this library outperforms optimization routines from MATLAB on some problems. Install ----------- Note, this library is header-only, so you just need to add `include/cppoptlib` to your project without compiling anything and without adding further dependencies. We ship some examples for demonstration purposes and use [bazel](https://bazel.build/) to compile these examples and unittests. The latest commit using CMake is da314c6581d076e0dbadacdd263aefe4d06a2397. When using the MATLAB-binding, you need to compile the mex-file. Hereby, open Matlab and run `make.m` inside the MATLAB folder once. For TensorFlow-Support you need to build TensorFlow-Library from source ```console user@host $ bazel build -c opt --copt=-mfpmath=both --copt=-msse4.2 --config=cuda //tensorflow:libtensorflow.so user@host $ bazel build -c opt --copt=-mfpmath=both --copt=-msse4.2 --config=cuda //tensorflow:libtensorflow_cc.so ``` # Benchmarks Currently, not all solvers are equally good at all objective functions. The file `src/test/benchmark.cpp` contains some challenging objective functions which are tested by each provided solver. Note, MATLAB will also fail at some objective functions. # Contribute Make sure that `python lint.py` does not display any errors and check if travis is happy. It would be great, if some of the Forks-Owner are willing to make pull-request. [eigen3]: http://eigen.tuxfamily.org/ [bazel]: https://bazel.build/ [matlab]: http://www.mathworks.de/products/matlab/ [tensorflow]: https://www.tensorflow.org/ # References **L-BFGS-B**: A LIMITED MEMORY ALGORITHM FOR BOUND CONSTRAINED OPTIMIZATION *Richard H. Byrd, Peihuang Lu, Jorge Nocedal and Ciyou Zhu* **L-BFGS**: Numerical Optimization, 2nd ed. New York: Springer *J. Nocedal and S. J. Wright* # Citing this implementation I see some interests in citing this implementation. Please use the following bibtex entry, if you consider to cite this implementation: ```bibtex @misc{wieschollek2016cppoptimizationlibrary, title={CppOptimizationLibrary}, author={Wieschollek, Patrick}, year={2016}, howpublished={\url{https://github.com/PatWie/CppNumericalSolvers}}, } ``` avogadrolibs-1.100.0/thirdparty/cppoptlib/boundedproblem.h000066400000000000000000000031501474375334400237020ustar00rootroot00000000000000/* * This file is part of CppNumericalSolvers * * Copyright (C) Tobias Wood @spinicist 2016 * * This Source Code form is subject to the terms of the MIT license. * Please see the LICENSE file. * */ #ifndef BOUNDEDPROBLEM_H #define BOUNDEDPROBLEM_H #include #include #include "problem.h" namespace cppoptlib { template class BoundedProblem : public Problem { public: using Superclass = Problem; using typename Superclass::Scalar; using typename Superclass::TVector; protected: TVector m_lowerBound; TVector m_upperBound; public: BoundedProblem(int RunDim = CompileDim_) : Superclass() { TVector infBound(RunDim); infBound.setConstant(std::numeric_limits::infinity()); m_lowerBound = -infBound; m_upperBound = infBound; } BoundedProblem(const TVector &l, const TVector &u) : Superclass(), m_lowerBound(l), m_upperBound(u) {} const TVector &lowerBound() const { return m_lowerBound; } void setLowerBound(const TVector &lb) { m_lowerBound = lb; } const TVector &upperBound() const { return m_upperBound; } void setUpperBound(const TVector &ub) { m_upperBound = ub; } void setBoxConstraint(TVector lb, TVector ub) { setLowerBound(lb); setUpperBound(ub); } bool isValid(const TVector &x){ return ((x - m_lowerBound).array() >= 0.0).all() && ((x - m_upperBound).array() <= 0.0).all(); } }; } // end namespace cppoptlib #endif // BOUNDEDPROBLEM_H avogadrolibs-1.100.0/thirdparty/cppoptlib/linesearch/000077500000000000000000000000001474375334400226465ustar00rootroot00000000000000avogadrolibs-1.100.0/thirdparty/cppoptlib/linesearch/armijo.h000066400000000000000000000044401474375334400243020ustar00rootroot00000000000000// CppNumericalSolver #ifndef ARMIJO_H_ #define ARMIJO_H_ #include "../meta.h" namespace cppoptlib { template class Armijo { public: using Scalar = typename ProblemType::Scalar; using TVector = typename ProblemType::TVector; /** * @brief use Armijo Rule for (weak) Wolfe conditiions * @details [long description] * * @param searchDir search direction for next update step * @param objFunc handle to problem * * @return step-width */ static Scalar linesearch(const TVector &x, const TVector &searchDir, ProblemType &objFunc, const Scalar alpha_init = 1.0) { const Scalar c = 0.2; const Scalar rho = 0.9; Scalar alpha = alpha_init; Scalar f = objFunc.value(x + alpha * searchDir); const Scalar f_in = objFunc.value(x); TVector grad(x.rows()); objFunc.gradient(x, grad); const Scalar Cache = c * grad.dot(searchDir); while(f > f_in + alpha * Cache) { alpha *= rho; f = objFunc.value(x + alpha * searchDir); } return alpha; } }; template class Armijo { public: using typename ProblemType::Scalar; using typename ProblemType::TVector; using typename ProblemType::THessian; /** * @brief use Armijo Rule for (weak) Wolfe conditiions * @details [long description] * * @param searchDir search direction for next update step * @param objFunc handle to problem * * @return step-width */ static Scalar linesearch(const TVector &x, const TVector &searchDir, ProblemType &objFunc) { const Scalar c = 0.2; const Scalar rho = 0.9; Scalar alpha = 1.0; Scalar f = objFunc.value(x + alpha * searchDir); const Scalar f_in = objFunc.value(x); const THessian hessian(x.rows(), x.rows()); objFunc.hessian(x, hessian); TVector grad(x.rows()); objFunc.gradient(x, grad); const Scalar Cache = c * grad.dot(searchDir) + 0.5 * c*c * searchDir.transpose() * (hessian * searchDir); while(f > f_in + alpha * Cache) { alpha *= rho; f = objFunc.value(x + alpha * searchDir); } return alpha; } }; } #endif /* ARMIJO_H_ */ avogadrolibs-1.100.0/thirdparty/cppoptlib/linesearch/morethuente.h000066400000000000000000000205271474375334400253640ustar00rootroot00000000000000// CppNumericalSolver #ifndef MORETHUENTE_H_ #define MORETHUENTE_H_ #include "../meta.h" #include namespace cppoptlib { template class MoreThuente { public: using Scalar = typename ProblemType::Scalar; using TVector = typename ProblemType::TVector; /** * @brief use MoreThuente Rule for (strong) Wolfe conditiions * @details [long description] * * @param searchDir search direction for next update step * @param objFunc handle to problem * * @return step-width */ static Scalar linesearch(const TVector &x, const TVector &searchDir, ProblemType &objFunc, const Scalar alpha_init = 1.0) { // assume step width Scalar ak = alpha_init; Scalar fval = objFunc.value(x); TVector g = x.eval(); objFunc.gradient(x, g); TVector s = searchDir.eval(); TVector xx = x.eval(); cvsrch(objFunc, xx, fval, g, ak, s); return ak; } static int cvsrch(ProblemType &objFunc, TVector &x, Scalar f, TVector &g, Scalar &stp, TVector &s) { // we rewrite this from MIN-LAPACK and some MATLAB code int info = 0; int infoc = 1; const Scalar xtol = 1e-15; const Scalar ftol = 1e-4; const Scalar gtol = 1e-2; const Scalar stpmin = 1e-15; const Scalar stpmax = 1e15; const Scalar xtrapf = 4; const int maxfev = 20; int nfev = 0; Scalar dginit = g.dot(s); if (dginit >= 0.0) { // no descent direction // TODO: handle this case return -1; } bool brackt = false; bool stage1 = true; Scalar finit = f; Scalar dgtest = ftol * dginit; Scalar width = stpmax - stpmin; Scalar width1 = 2 * width; TVector wa = x.eval(); Scalar stx = 0.0; Scalar fx = finit; Scalar dgx = dginit; Scalar sty = 0.0; Scalar fy = finit; Scalar dgy = dginit; Scalar stmin; Scalar stmax; while (true) { // make sure we stay in the interval when setting min/max-step-width if (brackt) { stmin = std::min(stx, sty); stmax = std::max(stx, sty); } else { stmin = stx; stmax = stp + xtrapf * (stp - stx); } // Force the step to be within the bounds stpmax and stpmin. stp = std::max(stp, stpmin); stp = std::min(stp, stpmax); // Oops, let us return the last reliable values if ( (brackt && ((stp <= stmin) || (stp >= stmax))) || (nfev >= maxfev - 1 ) || (infoc == 0) || (brackt && ((stmax - stmin) <= (xtol * stmax)))) { stp = stx; } // test new point x = wa + stp * s; f = objFunc.value(x); objFunc.gradient(x, g); nfev++; Scalar dg = g.dot(s); Scalar ftest1 = finit + stp * dgtest; // all possible convergence tests if ((brackt & ((stp <= stmin) | (stp >= stmax))) | (infoc == 0)) info = 6; if ((stp == stpmax) & (f <= ftest1) & (dg <= dgtest)) info = 5; if ((stp == stpmin) & ((f > ftest1) | (dg >= dgtest))) info = 4; if (nfev >= maxfev) info = 3; if (brackt & (stmax - stmin <= xtol * stmax)) info = 2; if ((f <= ftest1) & (fabs(dg) <= gtol * (-dginit))) info = 1; // terminate when convergence reached if (info != 0) return -1; if (stage1 & (f <= ftest1) & (dg >= std::min(ftol, gtol)*dginit)) stage1 = false; if (stage1 & (f <= fx) & (f > ftest1)) { Scalar fm = f - stp * dgtest; Scalar fxm = fx - stx * dgtest; Scalar fym = fy - sty * dgtest; Scalar dgm = dg - dgtest; Scalar dgxm = dgx - dgtest; Scalar dgym = dgy - dgtest; cstep( stx, fxm, dgxm, sty, fym, dgym, stp, fm, dgm, brackt, stmin, stmax, infoc); fx = fxm + stx * dgtest; fy = fym + sty * dgtest; dgx = dgxm + dgtest; dgy = dgym + dgtest; } else { // this is ugly and some variables should be moved to the class scope cstep( stx, fx, dgx, sty, fy, dgy, stp, f, dg, brackt, stmin, stmax, infoc); } if (brackt) { if (fabs(sty - stx) >= 0.66 * width1) stp = stx + 0.5 * (sty - stx); width1 = width; width = fabs(sty - stx); } } return 0; } static int cstep(Scalar& stx, Scalar& fx, Scalar& dx, Scalar& sty, Scalar& fy, Scalar& dy, Scalar& stp, Scalar& fp, Scalar& dp, bool& brackt, Scalar& stpmin, Scalar& stpmax, int& info) { info = 0; bool bound = false; // Check the input parameters for errors. if ((brackt & ((stp <= std::min(stx, sty) ) | (stp >= std::max(stx, sty)))) | (dx * (stp - stx) >= 0.0) | (stpmax < stpmin)) { return -1; } Scalar sgnd = dp * (dx / fabs(dx)); Scalar stpf = 0; Scalar stpc = 0; Scalar stpq = 0; if (fp > fx) { info = 1; bound = true; Scalar theta = 3. * (fx - fp) / (stp - stx) + dx + dp; Scalar s = std::max(theta, std::max(dx, dp)); Scalar gamma = s * sqrt((theta / s) * (theta / s) - (dx / s) * (dp / s)); if (stp < stx) gamma = -gamma; Scalar p = (gamma - dx) + theta; Scalar q = ((gamma - dx) + gamma) + dp; Scalar r = p / q; stpc = stx + r * (stp - stx); stpq = stx + ((dx / ((fx - fp) / (stp - stx) + dx)) / 2.) * (stp - stx); if (fabs(stpc - stx) < fabs(stpq - stx)) stpf = stpc; else stpf = stpc + (stpq - stpc) / 2; brackt = true; } else if (sgnd < 0.0) { info = 2; bound = false; Scalar theta = 3 * (fx - fp) / (stp - stx) + dx + dp; Scalar s = std::max(theta, std::max(dx, dp)); Scalar gamma = s * sqrt((theta / s) * (theta / s) - (dx / s) * (dp / s)); if (stp > stx) gamma = -gamma; Scalar p = (gamma - dp) + theta; Scalar q = ((gamma - dp) + gamma) + dx; Scalar r = p / q; stpc = stp + r * (stx - stp); stpq = stp + (dp / (dp - dx)) * (stx - stp); if (fabs(stpc - stp) > fabs(stpq - stp)) stpf = stpc; else stpf = stpq; brackt = true; } else if (fabs(dp) < fabs(dx)) { info = 3; bound = 1; Scalar theta = 3 * (fx - fp) / (stp - stx) + dx + dp; Scalar s = std::max(theta, std::max( dx, dp)); Scalar gamma = s * sqrt(std::max(static_cast(0.), (theta / s) * (theta / s) - (dx / s) * (dp / s))); if (stp > stx) gamma = -gamma; Scalar p = (gamma - dp) + theta; Scalar q = (gamma + (dx - dp)) + gamma; Scalar r = p / q; if ((r < 0.0) & (gamma != 0.0)) { stpc = stp + r * (stx - stp); } else if (stp > stx) { stpc = stpmax; } else { stpc = stpmin; } stpq = stp + (dp / (dp - dx)) * (stx - stp); if (brackt) { if (fabs(stp - stpc) < fabs(stp - stpq)) { stpf = stpc; } else { stpf = stpq; } } else { if (fabs(stp - stpc) > fabs(stp - stpq)) { stpf = stpc; } else { stpf = stpq; } } } else { info = 4; bound = false; if (brackt) { Scalar theta = 3 * (fp - fy) / (sty - stp) + dy + dp; Scalar s = std::max(theta, std::max(dy, dp)); Scalar gamma = s * sqrt((theta / s) * (theta / s) - (dy / s) * (dp / s)); if (stp > sty) gamma = -gamma; Scalar p = (gamma - dp) + theta; Scalar q = ((gamma - dp) + gamma) + dy; Scalar r = p / q; stpc = stp + r * (sty - stp); stpf = stpc; } else if (stp > stx) stpf = stpmax; else { stpf = stpmin; } } if (fp > fx) { sty = stp; fy = fp; dy = dp; } else { if (sgnd < 0.0) { sty = stx; fy = fx; dy = dx; } stx = stp; fx = fp; dx = dp; } stpf = std::min(stpmax, stpf); stpf = std::max(stpmin, stpf); stp = stpf; if (brackt & bound) { if (sty > stx) { stp = std::min(stx + static_cast(0.66) * (sty - stx), stp); } else { stp = std::max(stx + static_cast(0.66) * (sty - stx), stp); } } return 0; } }; } #endif /* MORETHUENTE_H_ */ avogadrolibs-1.100.0/thirdparty/cppoptlib/linesearch/wolfeheuristic.h000066400000000000000000000033631474375334400260600ustar00rootroot00000000000000// CppNumericalSolver #ifndef WOLFERULE_H_ #define WOLFERULE_H_ #include "../meta.h" namespace cppoptlib { /** * @brief this tries to guess the correct stepwith in a bisection-style * @details WARNING: THIS IS QUITE HACKY. TEST ARMIJO before. * * @tparam T scalar type * @tparam P problem type * @tparam Ord order of solver */ template class WolfeHeuristic { public: static T linesearch(const Vector & x0, const Vector & searchDir, P &objFunc, const T alpha_init = 1) { Vector x = x0; // evaluate phi(0) T phi0 = objFunc.value(x0); // evaluate phi'(0) Vector grad(x.rows()); objFunc.gradient(x, grad); T phi0_dash = searchDir.dot(grad); T alpha = alpha_init; bool decrease_direction = true; // 200 guesses for(size_t iter = 0; iter < 200; ++iter) { // new guess for phi(alpha) Vector x_candidate = x + alpha * searchDir; const T phi = objFunc.value(x_candidate); // decrease condition invalid --> shrink interval if (phi > phi0 + 0.0001 * alpha * phi0_dash) { alpha *= 0.5; decrease_direction = false; } else { // valid decrease --> test strong wolfe condition Vector grad2(x.rows()); objFunc.gradient(x_candidate, grad2); const T phi_dash = searchDir.dot(grad2); // curvature condition invalid ? if ((phi_dash < 0.9 * phi0_dash) || !decrease_direction) { // increase interval alpha *= 4.0; } else { // both condition are valid --> we are happy x = x_candidate; grad = grad2; phi0 = phi; return alpha; } } } return alpha; } }; } #endif /* WOLFERULE_H_ */ avogadrolibs-1.100.0/thirdparty/cppoptlib/meta.h000066400000000000000000000101741474375334400216330ustar00rootroot00000000000000// CppNumericalSolver #ifndef META_H #define META_H #include #include #include namespace cppoptlib { /*template using Vector = Eigen::Matrix; template using Matrix = Eigen::Matrix; */ enum class DebugLevel { None = 0, Low, High }; enum class Status { NotStarted = -1, Continue = 0, IterationLimit, XDeltaTolerance, FDeltaTolerance, GradNormTolerance, Condition, UserDefined }; enum class SimplexOp { Place, Reflect, Expand, ContractIn, ContractOut, Shrink }; inline std::ostream &operator<<(std::ostream &os, const SimplexOp &op) { switch (op) { case SimplexOp::Place: os << "place"; break; case SimplexOp::Reflect: os << "reflect"; break; case SimplexOp::Expand: os << "expand"; break; case SimplexOp::ContractIn: os << "contract-in"; break; case SimplexOp::ContractOut: os << "contract-out"; break; case SimplexOp::Shrink: os << "shrink"; break; } return os; } inline std::string op_to_string(SimplexOp op) { switch (op) { case SimplexOp::Place: return "place"; case SimplexOp::Expand: return "expand"; case SimplexOp::Reflect: return "reflect"; case SimplexOp::ContractIn: return "contract-in"; case SimplexOp::ContractOut: return "contract-out"; case SimplexOp::Shrink: return "shrink"; } return "unknown"; } template class Criteria { public: size_t iterations; //!< Maximum number of iterations T xDelta; //!< Minimum change in parameter vector T fDelta; //!< Minimum change in cost function T gradNorm; //!< Minimum norm of gradient vector T condition; //!< Maximum condition number of Hessian Criteria() { reset(); } static Criteria defaults() { Criteria d; d.iterations = 10000; d.xDelta = 0; d.fDelta = 0; d.gradNorm = 1e-4; d.condition = 0; return d; } void reset() { iterations = 0; xDelta = 0; fDelta = 0; gradNorm = 0; condition = 0; } void print(std::ostream &os) const { os << "Iterations: " << iterations << std::endl; os << "xDelta: " << xDelta << std::endl; os << "fDelta: " << fDelta << std::endl; os << "GradNorm: " << gradNorm << std::endl; os << "Condition: " << condition << std::endl; } }; template Status checkConvergence(const Criteria &stop, const Criteria ¤t) { if ((stop.iterations > 0) && (current.iterations > stop.iterations)) { return Status::IterationLimit; } if ((stop.xDelta > 0) && (current.xDelta < stop.xDelta)) { return Status::XDeltaTolerance; } if ((stop.fDelta > 0) && (current.fDelta < stop.fDelta)) { return Status::FDeltaTolerance; } if ((stop.gradNorm > 0) && (current.gradNorm < stop.gradNorm)) { return Status::GradNormTolerance; } if ((stop.condition > 0) && (current.condition > stop.condition)) { return Status::Condition; } return Status::Continue; } inline std::ostream &operator<<(std::ostream &os, const Status &s) { switch (s) { case Status::NotStarted: os << "Solver not started."; break; case Status::Continue: os << "Convergence criteria not reached."; break; case Status::IterationLimit: os << "Iteration limit reached."; break; case Status::XDeltaTolerance: os << "Change in parameter vector too small."; break; case Status::FDeltaTolerance: os << "Change in cost function value too small."; break; case Status::GradNormTolerance: os << "Gradient vector norm too small."; break; case Status::Condition: os << "Condition of Hessian/Covariance matrix too large."; break; case Status::UserDefined: os << "Stop condition defined in the callback."; break; } return os; } template std::ostream &operator<<(std::ostream &os, const Criteria &c) { c.print(os); return os; } } // End namespace cppoptlib #endif /* META_H */ avogadrolibs-1.100.0/thirdparty/cppoptlib/problem.h000066400000000000000000000164161474375334400223520ustar00rootroot00000000000000#ifndef PROBLEM_H #define PROBLEM_H #include #include #include #include "meta.h" namespace cppoptlib { template class Problem { public: static const int Dim = Dim_; typedef Scalar_ Scalar; using TVector = Eigen::Matrix; using THessian = Eigen::Matrix; using TCriteria = Criteria; using TIndex = typename TVector::Index; using MatrixType = Eigen::Matrix; public: Problem() {} virtual ~Problem()= default; #pragma GCC diagnostic push #pragma GCC diagnostic ignored "-Wunused-parameter" virtual bool callback(const Criteria &state, const TVector &x) { return true; } virtual bool detailed_callback(const Criteria &state, SimplexOp op, int index, const MatrixType &x, std::vector f) { return true; } #pragma GCC diagnostic pop /** * @brief returns objective value in x * @details [long description] * * @param x [description] * @return [description] */ virtual Scalar value(const TVector &x) = 0; /** * @brief overload value for nice syntax * @details [long description] * * @param x [description] * @return [description] */ Scalar operator()(const TVector &x) { return value(x); } /** * @brief returns gradient in x as reference parameter * @details should be overwritten by symbolic gradient * * @param grad [description] */ virtual void gradient(const TVector &x, TVector &grad) { finiteGradient(x, grad); } /** * @brief This computes the hessian * @details should be overwritten by symbolic hessian, if solver relies on hessian */ virtual void hessian(const TVector &x, THessian &hessian) { finiteHessian(x, hessian); } virtual bool checkGradient(const TVector &x, int accuracy = 3) { // TODO: check if derived class exists: // int(typeid(&Rosenbrock::gradient) == typeid(&Problem::gradient)) == 1 --> overwritten const TIndex D = x.rows(); TVector actual_grad(D); TVector expected_grad(D); gradient(x, actual_grad); finiteGradient(x, expected_grad, accuracy); for (TIndex d = 0; d < D; ++d) { Scalar scale = std::max(static_cast(std::max(fabs(actual_grad[d]), fabs(expected_grad[d]))), Scalar(1.)); if(fabs(actual_grad[d]-expected_grad[d])>1e-2 * scale) return false; } return true; } virtual bool checkHessian(const TVector &x, int accuracy = 3) { // TODO: check if derived class exists: // int(typeid(&Rosenbrock::gradient) == typeid(&Problem::gradient)) == 1 --> overwritten const TIndex D = x.rows(); THessian actual_hessian = THessian::Zero(D, D); THessian expected_hessian = THessian::Zero(D, D); hessian(x, actual_hessian); finiteHessian(x, expected_hessian, accuracy); for (TIndex d = 0; d < D; ++d) { for (TIndex e = 0; e < D; ++e) { Scalar scale = std::max(static_cast(std::max(fabs(actual_hessian(d, e)), fabs(expected_hessian(d, e)))), Scalar(1.)); if(fabs(actual_hessian(d, e)- expected_hessian(d, e))>1e-1 * scale) return false; } } return true; } void finiteGradient(const TVector &x, TVector &grad, int accuracy = 0) { // accuracy can be 0, 1, 2, 3 const Scalar eps = 2.2204e-6; static const std::array, 4> coeff = { { {1, -1}, {1, -8, 8, -1}, {-1, 9, -45, 45, -9, 1}, {3, -32, 168, -672, 672, -168, 32, -3} } }; static const std::array, 4> coeff2 = { { {1, -1}, {-2, -1, 1, 2}, {-3, -2, -1, 1, 2, 3}, {-4, -3, -2, -1, 1, 2, 3, 4} } }; static const std::array dd = {2, 12, 60, 840}; grad.resize(x.rows()); TVector& xx = const_cast(x); const int innerSteps = 2*(accuracy+1); const Scalar ddVal = dd[accuracy]*eps; for (TIndex d = 0; d < x.rows(); d++) { grad[d] = 0; for (int s = 0; s < innerSteps; ++s) { Scalar tmp = xx[d]; xx[d] += coeff2[accuracy][s]*eps; grad[d] += coeff[accuracy][s]*value(xx); xx[d] = tmp; } grad[d] /= ddVal; } } void finiteHessian(const TVector &x, THessian &hessian, int accuracy = 0) { const Scalar eps = std::numeric_limits::epsilon()*10e7; hessian.resize(x.rows(), x.rows()); TVector& xx = const_cast(x); if(accuracy == 0) { for (TIndex i = 0; i < x.rows(); i++) { for (TIndex j = 0; j < x.rows(); j++) { Scalar tmpi = xx[i]; Scalar tmpj = xx[j]; Scalar f4 = value(xx); xx[i] += eps; xx[j] += eps; Scalar f1 = value(xx); xx[j] -= eps; Scalar f2 = value(xx); xx[j] += eps; xx[i] -= eps; Scalar f3 = value(xx); hessian(i, j) = (f1 - f2 - f3 + f4) / (eps * eps); xx[i] = tmpi; xx[j] = tmpj; } } } else { /* \displaystyle{{\frac{\partial^2{f}}{\partial{x}\partial{y}}}\approx \frac{1}{600\,h^2} \left[\begin{matrix} -63(f_{1,-2}+f_{2,-1}+f_{-2,1}+f_{-1,2})+\\ 63(f_{-1,-2}+f_{-2,-1}+f_{1,2}+f_{2,1})+\\ 44(f_{2,-2}+f_{-2,2}-f_{-2,-2}-f_{2,2})+\\ 74(f_{-1,-1}+f_{1,1}-f_{1,-1}-f_{-1,1}) \end{matrix}\right] } */ for (TIndex i = 0; i < x.rows(); i++) { for (TIndex j = 0; j < x.rows(); j++) { Scalar tmpi = xx[i]; Scalar tmpj = xx[j]; Scalar term_1 = 0; xx[i] = tmpi; xx[j] = tmpj; xx[i] += 1*eps; xx[j] += -2*eps; term_1 += value(xx); xx[i] = tmpi; xx[j] = tmpj; xx[i] += 2*eps; xx[j] += -1*eps; term_1 += value(xx); xx[i] = tmpi; xx[j] = tmpj; xx[i] += -2*eps; xx[j] += 1*eps; term_1 += value(xx); xx[i] = tmpi; xx[j] = tmpj; xx[i] += -1*eps; xx[j] += 2*eps; term_1 += value(xx); Scalar term_2 = 0; xx[i] = tmpi; xx[j] = tmpj; xx[i] += -1*eps; xx[j] += -2*eps; term_2 += value(xx); xx[i] = tmpi; xx[j] = tmpj; xx[i] += -2*eps; xx[j] += -1*eps; term_2 += value(xx); xx[i] = tmpi; xx[j] = tmpj; xx[i] += 1*eps; xx[j] += 2*eps; term_2 += value(xx); xx[i] = tmpi; xx[j] = tmpj; xx[i] += 2*eps; xx[j] += 1*eps; term_2 += value(xx); Scalar term_3 = 0; xx[i] = tmpi; xx[j] = tmpj; xx[i] += 2*eps; xx[j] += -2*eps; term_3 += value(xx); xx[i] = tmpi; xx[j] = tmpj; xx[i] += -2*eps; xx[j] += 2*eps; term_3 += value(xx); xx[i] = tmpi; xx[j] = tmpj; xx[i] += -2*eps; xx[j] += -2*eps; term_3 -= value(xx); xx[i] = tmpi; xx[j] = tmpj; xx[i] += 2*eps; xx[j] += 2*eps; term_3 -= value(xx); Scalar term_4 = 0; xx[i] = tmpi; xx[j] = tmpj; xx[i] += -1*eps; xx[j] += -1*eps; term_4 += value(xx); xx[i] = tmpi; xx[j] = tmpj; xx[i] += 1*eps; xx[j] += 1*eps; term_4 += value(xx); xx[i] = tmpi; xx[j] = tmpj; xx[i] += 1*eps; xx[j] += -1*eps; term_4 -= value(xx); xx[i] = tmpi; xx[j] = tmpj; xx[i] += -1*eps; xx[j] += 1*eps; term_4 -= value(xx); xx[i] = tmpi; xx[j] = tmpj; hessian(i, j) = (-63 * term_1+63 * term_2+44 * term_3+74 * term_4)/(600.0 * eps * eps); } } } } }; } #endif /* PROBLEM_H */ avogadrolibs-1.100.0/thirdparty/cppoptlib/solver/000077500000000000000000000000001474375334400220435ustar00rootroot00000000000000avogadrolibs-1.100.0/thirdparty/cppoptlib/solver/bfgssolver.h000066400000000000000000000042451474375334400243750ustar00rootroot00000000000000// CppNumericalSolver #include #include #include "isolver.h" #include "../linesearch/morethuente.h" #ifndef BFGSSOLVER_H_ #define BFGSSOLVER_H_ namespace cppoptlib { template class BfgsSolver : public ISolver { public: using Superclass = ISolver; using typename Superclass::Scalar; using typename Superclass::TVector; using typename Superclass::THessian; void minimize(ProblemType &objFunc, TVector & x0) { const size_t DIM = x0.rows(); THessian H = THessian::Identity(DIM, DIM); TVector grad(DIM); TVector x_old = x0; this->m_current.reset(); objFunc.gradient(x0, grad); do { TVector searchDir = -1 * H * grad; // check "positive definite" Scalar phi = grad.dot(searchDir); // positive definit ? if ((phi > 0) || (phi != phi)) { // no, we reset the hessian approximation H = THessian::Identity(DIM, DIM); searchDir = -1 * grad; } const Scalar rate = MoreThuente::linesearch(x0, searchDir, objFunc) ; x0 = x0 + rate * searchDir; TVector grad_old = grad; objFunc.gradient(x0, grad); TVector s = rate * searchDir; TVector y = grad - grad_old; const Scalar rho = 1.0 / y.dot(s); H = H - rho * (s * (y.transpose() * H) + (H * y) * s.transpose()) + rho * (rho * y.dot(H * y) + 1.0) * (s * s.transpose()); // std::cout << "iter: "<() < 1e-7 ) break; x_old = x0; ++this->m_current.iterations; this->m_current.gradNorm = grad.template lpNorm(); this->m_status = checkConvergence(this->m_stop, this->m_current); } while (objFunc.callback(this->m_current, x0) && (this->m_status == Status::Continue)); } }; } /* namespace cppoptlib */ #endif /* BFGSSOLVER_H_ */ avogadrolibs-1.100.0/thirdparty/cppoptlib/solver/cmaesbsolver.h000066400000000000000000000233721474375334400247100ustar00rootroot00000000000000// CppNumericalSolver #ifndef CMAESB_H #define CMAESB_H #include #include #include "isolver.h" namespace cppoptlib { /** * @brief Covariance Matrix Adaptation */ template class CMAesBSolver : public ISolver { public: using Super = ISolver; using typename Super::Scalar; using typename Super::TVector; using typename Super::THessian; using typename Super::TCriteria; using TMatrix = Eigen::Matrix; using TVarVector = Eigen::Matrix; protected: std::mt19937 gen; Scalar m_stepSize; /* * @brief Create a vector sampled from a normal distribution * */ TVector normDist(const int n) { TVector sample = TVector::Zero(n); std::normal_distribution d(0, 1); for (int i = 0; i < n; ++i) { sample[i] = d(gen); } return sample; } std::vector index_partial_sort(const TVarVector &x, Eigen::ArrayXd::Index N) { eigen_assert(x.size() >= N); std::vector allIndices(x.size()), indices(N); for(size_t i = 0; i < allIndices.size(); i++) { allIndices[i] = i; } partial_sort(allIndices.begin(), allIndices.begin() + N, allIndices.end(), [&x](size_t i1, size_t i2) { return x[i1] < x[i2]; }); //std::cout << "SORTED: "; for (Eigen::ArrayXd::Index i = 0; i < N; i++) { indices[i] = allIndices[i]; //std::cout << indices[i] << ","; } //std::cout << std::endl; return indices; } public: CMAesBSolver() : gen((std::random_device())()) { m_stepSize = 0.5; // Set some sensible defaults for the stop criteria Super::m_stop.iterations = 1e5; Super::m_stop.gradNorm = 0; // Switch this off Super::m_stop.condition = 1e14; Super::m_stop.xDelta = 1e-7; Super::m_stop.fDelta = 1e-9; } /** * @brief minimize * @details [long description] * * @param objFunc [description] */ void minimize(TProblem &objFunc, TVector &x0) { const int n = x0.rows(); int la = ceil(4 + round(3 * log(n))); const int mu = floor(la / 2); TVarVector w = TVarVector::Zero(mu); for (int i = 0; i < mu; ++i) { w[i] = log(mu+1/2)-log(i+1); } w /= w.sum(); const Scalar mu_eff = (w.sum()*w.sum()) / w.dot(w); la = std::max(16, la); // Increase to 16 samples for very small populations, but AFTER calcaulting mu_eff const Scalar cc = (4. + mu_eff / n) / (n + 4. + 2.*mu_eff/n); const Scalar cs = (mu_eff + 2.) / (n + mu_eff + 5.); const Scalar c1 = 2. / (pow(n + 1.3, 2.) + mu_eff); const Scalar cmu = std::min(1. - c1, 2.*(mu_eff - 2. + 1./mu_eff) / (pow(n+2, 2.) + mu_eff)); const Scalar ds = 1. + cs + 2.*std::max(0., sqrt((mu_eff - 1.) / (n + 1.)) - 1.); const Scalar chi = sqrt(n) * (1. - 1./(4.*n) + 1./(21.*n*n)); const Scalar hsig_thr = (1.4 + 2 / (n + 1.)) * chi; TVector pc = TVector::Zero(n); TVector ps = TVector::Zero(n); THessian B = THessian::Identity(n, n); THessian D = THessian::Identity(n, n); THessian C = THessian::Zero(n; n); C.diagonal() = (objFunc.upperBound() - objFunc.lowerBound()) / 2; Eigen::SelfAdjointEigenSolver eigenSolver(C); B = eigenSolver.eigenvectors(); D.diagonal() = eigenSolver.eigenvalues().array().sqrt(); Scalar sigma = m_stepSize; TVector xmean = x0; TVector zmean = TVector::Zero(n); TMatrix arz(n, la); TMatrix arx(n, la); TVarVector costs(la); Scalar prevCost = objFunc.value(x0); // Constraint handling TVector gamma = TVector::Ones(n); // CMA-ES Main Loop int eigen_last_eval = 0; int eigen_next_eval = std::max(1, 1/(10*n*(c1+cmu))); this->m_current.reset(); if (Super::m_debug >= DebugLevel::Low) { std::cout << "CMA-ES Initial Config" << std::endl; std::cout << "n " << n << " la " << la << " mu " << mu << " mu_eff " << mu_eff << " sigma " << sigma << std::endl; std::cout << "cs " << cs << " ds " << ds << " chi " << chi << " cc " << cc << " c1 " << c1 << " cmu " << cmu << " hsig_thr " << hsig_thr << std::endl; std::cout << "C" << std::endl << C << std::endl; std::cout << "Hessian will be updated every " << eigen_next_eval << " iterations." << std::endl; std::cout << "Iteration: " << this->m_current.iterations << " best cost " << prevCost << " sigma " << sigma << " cond " << this->m_current.condition << " xmean " << x0.transpose() << std::endl; } do { for (int k = 0; k < la; ++k) { arz.col(k) = normDist(n); TVector xk = xmean + sigma * B*D*arz.col(k); arx.col(k) = xk; Scalar penalty = 0; const Scalar eta_sum = C.diagonal().array().log().sum()/n; for (int d = 0; d < n; d++) { Scalar dist = 0; const Scalar eta = exp(0.9 * (log(C.coeffRef(d, d) - eta_sum))); if (xk.coeffRef(d) < objFunc.lowerBound().coeffRef(d)) { dist = xk.coeffRef(d) - objFunc.lowerBound().coeffRef(d); xk.coeffRef(d) = objFunc.lowerBound().coeffRef(d); } else if (xk.coeffRef(d) > objFunc.upperBound().coeffRef(d)) { dist = objFunc.upperBound().coeffRef(d) - xk.coeffRef(d); xk.coeffRef(d) = objFunc.upperBound().coeffRef(d); } penalty += (dist*dist) / eta; } costs[k] = objFunc(xk) + penalty/n; } if (Super::m_debug >= DebugLevel::High) { std::cout << "arz" << std::endl << arz << std::endl; std::cout << "arx" << std::endl << arx << std::endl; std::cout << "costs " << costs.transpose() << std::endl; } std::vector indices = index_partial_sort(costs, mu); xmean = TVector::Zero(n); zmean = TVector::Zero(n); for (int k = 0; k < mu; k++) { zmean += w[k]*arz.col(indices[k]); xmean += w[k]*arx.col(indices[k]); } // Update constraint weights for (int d = 0; d < n; d++) { if (xmean.coeffRef(d) < objFunc.lowerBound().coeffRef(d) || xmean.coeffRef(d) > objFunc.upperBound().coeffRef(d)) { gamma.coeffRef(d) *= pow(1.1, std::max(1, mu_eff / (10*n))); } } // Update evolution paths ps = (1. - cs)*ps + sqrt(cs*(2. - cs)*mu_eff) * B*zmean; Scalar hsig = (ps.norm()/sqrt(pow(1 - (1. - cs), (2 * (this->m_current.iterations + 1)))) < hsig_thr) ? 1.0 : 0.0; pc = (1. - cc)*pc + hsig*sqrt(cc*(2. - cc)*mu_eff)*(B*D*zmean); // Adapt covariance matrix C = (1 - c1 - cmu)*C + c1*(pc*pc.transpose() + (1 - hsig)*cc*(2 - cc)*C); for (int k = 0; k < mu; ++k) { TVector temp = B*D*arz.col(k); C += cmu*w(k)*temp*temp.transpose(); } sigma = sigma * exp((cs/ds) * ((ps).norm()/chi - 1.)); ++Super::m_current.iterations; if ((Super::m_current.iterations - eigen_last_eval) == eigen_next_eval) { // Update B and D eigen_last_eval = Super::m_current.iterations; Eigen::SelfAdjointEigenSolver eigenSolver(C); B = eigenSolver.eigenvectors(); D.diagonal() = eigenSolver.eigenvalues().array().sqrt(); if (Super::m_debug >= DebugLevel::High) { std::cout << "Updated hessian." << std::endl; std::cout << "C" << std::endl << C << std::endl; std::cout << "B" << std::endl << B << std::endl; std::cout << "D" << std::endl << D << std::endl; } } Super::m_current.condition = D.diagonal().maxCoeff() / D.diagonal().minCoeff(); Super::m_current.xDelta = (xmean - x0).norm(); x0 = xmean; Super::m_current.fDelta = fabs(costs[indices[0]] - prevCost); prevCost = costs[indices[0]]; if (Super::m_debug >= DebugLevel::Low) { std::cout << "Iteration: " << this->m_current.iterations << " best cost " << costs[indices[0]] << " sigma " << sigma << " cond " << this->m_current.condition << " xmean " << xmean.transpose() << std::endl; } if (fabs(costs[indices[0]] - costs[indices[mu-1]]) < 1e-6) { sigma = sigma * exp(0.2+cs/ds); if (Super::m_debug >= DebugLevel::Low) { std::cout << "Flat fitness " << costs[indices[0]] << " " << costs[indices[mu-1]] << std::endl; } } Super::m_status = checkConvergence(this->m_stop, this->m_current); } while (objFunc.callback(this->m_current, x0) && (this->m_status == Status::Continue)); // Return the best evaluated solution x0 = xmean; m_stepSize = sigma; if (Super::m_debug >= DebugLevel::Low) { std::cout << "Stop" << std::endl; this->m_stop.print(std::cout); std::cout << "Current" << std::endl; this->m_current.print(std::cout); std::cout << "Reason: " << Super::m_status << std::endl; } } }; } /* namespace cppoptlib */ #endif /* CMAES_H_ */ avogadrolibs-1.100.0/thirdparty/cppoptlib/solver/cmaessolver.h000066400000000000000000000207461474375334400245500ustar00rootroot00000000000000// CppNumericalSolver #ifndef CMAES_H_ #define CMAES_H_ #include #include #include "isolver.h" namespace cppoptlib { /** * @brief Covariance Matrix Adaptation */ template class CMAesSolver : public ISolver { public: using Super = ISolver; using typename Super::Scalar; using typename Super::TVector; using typename Super::THessian; using typename Super::TCriteria; using TMatrix = Eigen::Matrix; using TVarVector = Eigen::Matrix; protected: std::mt19937 gen; Scalar m_stepSize; /* * @brief Create a vector sampled from a normal distribution * */ TVector normDist(const int n) { TVector sample = TVector::Zero(n); std::normal_distribution d(0, 1); for (int i = 0; i < n; ++i) { sample[i] = d(gen); } return sample; } std::vector index_partial_sort(const TVarVector &x, Eigen::ArrayXd::Index N) { eigen_assert(x.size() >= N); std::vector allIndices(x.size()), indices(N); for(size_t i = 0; i < allIndices.size(); i++) { allIndices[i] = i; } partial_sort(allIndices.begin(), allIndices.begin() + N, allIndices.end(), [&x](size_t i1, size_t i2) { return x[i1] < x[i2]; }); //std::cout << "SORTED: "; for (Eigen::ArrayXd::Index i = 0; i < N; i++) { indices[i] = allIndices[i]; //std::cout << indices[i] << ","; } //std::cout << std::endl; return indices; } public: CMAesSolver() : gen((std::random_device())()) { m_stepSize = 0.5; // Set some sensible defaults for the stop criteria Super::m_stop.iterations = 1e5; Super::m_stop.gradNorm = 0; // Switch this off Super::m_stop.condition = 1e14; Super::m_stop.xDelta = 1e-7; Super::m_stop.fDelta = 1e-9; } void minimize(TProblem &objFunc, TVector &x0) { TVector var0 = TVector::Ones(x0.rows()); this->minimize(objFunc, x0, var0); } /** * @brief minimize * @details [long description] * * @param objFunc [description] */ void minimize(TProblem &objFunc, TVector &x0, const TVector &var0) { const int n = x0.rows(); eigen_assert(x0.rows() == var0.rows()); int la = ceil(4 + round(3 * log(n))); const int mu = floor(la / 2); TVarVector w = TVarVector::Zero(mu); for (int i = 0; i < mu; ++i) { w[i] = log(mu+1/2)-log(i+1); } w /= w.sum(); const Scalar mu_eff = (w.sum()*w.sum()) / w.dot(w); la = std::max(16, la); // Increase to 16 samples for very small populations, but AFTER calcaulting mu_eff const Scalar cc = (4. + mu_eff / n) / (n + 4. + 2.*mu_eff/n); const Scalar cs = (mu_eff + 2.) / (n + mu_eff + 5.); const Scalar c1 = 2. / (pow(n + 1.3, 2.) + mu_eff); const Scalar cmu = std::min(1. - c1, 2.*(mu_eff - 2. + 1./mu_eff) / (pow(n+2, 2.) + mu_eff)); const Scalar ds = 1. + cs + 2.*std::max(0., sqrt((mu_eff - 1.) / (n + 1.)) - 1.); const Scalar chi = sqrt(n) * (1. - 1./(4.*n) + 1./(21.*n*n)); const Scalar hsig_thr = (1.4 + 2 / (n + 1.)) * chi; TVector pc = TVector::Zero(n); TVector ps = TVector::Zero(n); THessian B = THessian::Identity(n, n); THessian D = THessian::Identity(n, n); THessian C = B*D*(B*D).transpose(); Scalar sigma = m_stepSize; TVector xmean = x0; TVector zmean = TVector::Zero(n); TMatrix arz(n, la); TMatrix arx(n, la); TVarVector costs(la); Scalar prevCost = objFunc.value(x0); // CMA-ES Main Loop size_t eigen_last_eval = 0; size_t eigen_next_eval = std::max(1, 1/(10*n*(c1+cmu))); this->m_current.reset(); if (Super::m_debug >= DebugLevel::Low) { std::cout << "CMA-ES Initial Config" << std::endl; std::cout << "n " << n << " la " << la << " mu " << mu << " mu_eff " << mu_eff << " sigma " << sigma << std::endl; std::cout << "cs " << cs << " ds " << ds << " chi " << chi << " cc " << cc << " c1 " << c1 << " cmu " << cmu << " hsig_thr " << hsig_thr << std::endl; std::cout << "C" << std::endl << C << std::endl; std::cout << "Hessian will be updated every " << eigen_next_eval << " iterations." << std::endl; std::cout << "Iteration: " << this->m_current.iterations << " best cost " << prevCost << " sigma " << sigma << " cond " << this->m_current.condition << " xmean " << x0.transpose() << std::endl; } do { for (int k = 0; k < la; ++k) { arz.col(k) = normDist(n); arx.col(k) = xmean + sigma * B*D*arz.col(k); costs[k] = objFunc(arx.col(k)); } if (Super::m_debug >= DebugLevel::High) { std::cout << "arz" << std::endl << arz << std::endl; std::cout << "arx" << std::endl << arx << std::endl; std::cout << "costs " << costs.transpose() << std::endl; } std::vector indices = index_partial_sort(costs, mu); xmean = TVector::Zero(n); zmean = TVector::Zero(n); for (int k = 0; k < mu; k++) { zmean += w[k]*arz.col(indices[k]); xmean += w[k]*arx.col(indices[k]); } // Update evolution paths ps = (1. - cs)*ps + sqrt(cs*(2. - cs)*mu_eff) * B*zmean; Scalar hsig = (ps.norm()/sqrt(pow(1 - (1. - cs), (2 * (this->m_current.iterations + 1)))) < hsig_thr) ? 1.0 : 0.0; pc = (1. - cc)*pc + hsig*sqrt(cc*(2. - cc)*mu_eff)*(B*D*zmean); // Adapt covariance matrix C = (1 - c1 - cmu)*C + c1*(pc*pc.transpose() + (1 - hsig)*cc*(2 - cc)*C); for (int k = 0; k < mu; ++k) { TVector temp = B*D*arz.col(k); C += cmu*w(k)*temp*temp.transpose(); } sigma = sigma * exp((cs/ds) * ((ps).norm()/chi - 1.)); ++Super::m_current.iterations; if ((Super::m_current.iterations - eigen_last_eval) == eigen_next_eval) { // Update B and D eigen_last_eval = Super::m_current.iterations; Eigen::SelfAdjointEigenSolver eigenSolver(C); B = eigenSolver.eigenvectors(); D.diagonal() = eigenSolver.eigenvalues().array().sqrt(); if (Super::m_debug >= DebugLevel::High) { std::cout << "Updated hessian." << std::endl; std::cout << "C" << std::endl << C << std::endl; std::cout << "B" << std::endl << B << std::endl; std::cout << "D" << std::endl << D << std::endl; } } Super::m_current.condition = D.diagonal().maxCoeff() / D.diagonal().minCoeff(); Super::m_current.xDelta = (xmean - x0).norm(); x0 = xmean; Super::m_current.fDelta = fabs(costs[indices[0]] - prevCost); prevCost = costs[indices[0]]; if (Super::m_debug >= DebugLevel::Low) { std::cout << "Iteration: " << this->m_current.iterations << " best cost " << costs[indices[0]] << " sigma " << sigma << " cond " << this->m_current.condition << " xmean " << xmean.transpose() << std::endl; } if (fabs(costs[indices[0]] - costs[indices[mu-1]]) < 1e-6) { sigma = sigma * exp(0.2+cs/ds); if (Super::m_debug >= DebugLevel::Low) { std::cout << "Flat fitness " << costs[indices[0]] << " " << costs[indices[mu-1]] << std::endl; } } Super::m_status = checkConvergence(this->m_stop, this->m_current); } while (objFunc.callback(this->m_current, x0) && (this->m_status == Status::Continue)); // Return the best evaluated solution x0 = xmean; m_stepSize = sigma; if (Super::m_debug >= DebugLevel::Low) { std::cout << "Stop" << std::endl; this->m_stop.print(std::cout); std::cout << "Current" << std::endl; this->m_current.print(std::cout); std::cout << "Reason: " << Super::m_status << std::endl; } } }; } /* namespace cppoptlib */ #endif /* CMAES_H_ */ avogadrolibs-1.100.0/thirdparty/cppoptlib/solver/conjugatedgradientdescentsolver.h000066400000000000000000000031251474375334400306570ustar00rootroot00000000000000// CppNumericalSolver #ifndef CONJUGATEDGRADIENTDESCENTSOLVER_H_ #define CONJUGATEDGRADIENTDESCENTSOLVER_H_ #include #include "isolver.h" #include "../linesearch/armijo.h" namespace cppoptlib { template class ConjugatedGradientDescentSolver : public ISolver { public: using Superclass = ISolver; using typename Superclass::Scalar; using typename Superclass::TVector; /** * @brief minimize * @details [long description] * * @param objFunc [description] */ void minimize(ProblemType &objFunc, TVector &x0) { TVector grad(x0.rows()); TVector grad_old(x0.rows()); TVector Si(x0.rows()); TVector Si_old(x0.rows()); this->m_current.reset(); do { objFunc.gradient(x0, grad); if (this->m_current.iterations == 0) { Si = -grad; } else { const double beta = grad.dot(grad) / (grad_old.dot(grad_old)); Si = -grad + beta * Si_old; } const double rate = Armijo::linesearch(x0, Si, objFunc) ; x0 = x0 + rate * Si; grad_old = grad; Si_old = Si; this->m_current.gradNorm = grad.template lpNorm(); // std::cout << "iter: "<m_current.iterations; this->m_status = checkConvergence(this->m_stop, this->m_current); } while (objFunc.callback(this->m_current, x0) && (this->m_status == Status::Continue) ); } }; } /* namespace cppoptlib */ #endif /* CONJUGATEDGRADIENTDESCENTSOLVER_H_ */ avogadrolibs-1.100.0/thirdparty/cppoptlib/solver/gradientdescentsolver.h000066400000000000000000000030701474375334400266120ustar00rootroot00000000000000// CppNumericalSolver #ifndef GRADIENTDESCENTSOLVER_H_ #define GRADIENTDESCENTSOLVER_H_ #include #include "isolver.h" #include "../linesearch/morethuente.h" namespace cppoptlib { template class GradientDescentSolver : public ISolver { public: using Superclass = ISolver; using typename Superclass::Scalar; using typename Superclass::TVector; /** * @brief minimize * @details [long description] * * @param objFunc [description] */ void minimize(ProblemType &objFunc, TVector &x0) { TVector direction(x0.rows()); this->m_current.reset(); do { ; objFunc.gradient(x0, direction); const Scalar rate = MoreThuente::linesearch(x0, -direction, objFunc) ; x0 = x0 - rate * direction; this->m_current.gradNorm = direction.template lpNorm(); // std::cout << "iter: "<m_current.iterations; this->m_status = checkConvergence(this->m_stop, this->m_current); } while (objFunc.callback(this->m_current, x0) && (this->m_status == Status::Continue)); if (this->m_debug > DebugLevel::None) { std::cout << "Stop status was: " << this->m_status << std::endl; std::cout << "Stop criteria were: " << std::endl << this->m_stop << std::endl; std::cout << "Current values are: " << std::endl << this->m_current << std::endl; } } }; } /* namespace cppoptlib */ #endif /* GRADIENTDESCENTSOLVER_H_ */ avogadrolibs-1.100.0/thirdparty/cppoptlib/solver/isolver.h000066400000000000000000000027331474375334400237040ustar00rootroot00000000000000// CppNumericalSolver #ifndef ISOLVER_H_ #define ISOLVER_H_ #include #include "isolver.h" #include "../meta.h" #include "../problem.h" namespace cppoptlib { template class ISolver { public: using Scalar = typename ProblemType::Scalar; using TVector = typename ProblemType::TVector; using THessian = typename ProblemType::THessian; using TCriteria = typename ProblemType::TCriteria; protected: const int order_ = Ord; TCriteria m_stop, m_current; Status m_status = Status::NotStarted; DebugLevel m_debug = DebugLevel::None; public: virtual ~ISolver() = default; ISolver() { m_stop = TCriteria::defaults(); m_current.reset(); } ISolver(const TCriteria &s) { m_stop = s; m_current.reset(); } void setStopCriteria(const TCriteria &s) { m_stop = s; } const TCriteria &criteria() { return m_current; } const Status &status() { return m_status; } void setDebug(const DebugLevel &d) { m_debug = d; } /** * @brief minimize an objective function given a gradient (and optinal a hessian) * @details this is just the abstract interface * * @param x0 starting point * @param funObjective objective function * @param funGradient gradient function * @param funcHession hessian function */ virtual void minimize(ProblemType &objFunc, TVector &x0) = 0; }; } /* namespace cppoptlib */ #endif /* ISOLVER_H_ */ avogadrolibs-1.100.0/thirdparty/cppoptlib/solver/lbfgsbsolver.h000066400000000000000000000265201474375334400247130ustar00rootroot00000000000000// CppNumericalSolver // based on: // L-BFGS-B: A LIMITED MEMORY ALGORITHM FOR BOUND CONSTRAINED OPTIMIZATION // Richard H. Byrd, Peihuang Lu, Jorge Nocedal and Ciyou Zhu #include #include #include #include "isolver.h" #include "../boundedproblem.h" #include "../linesearch/morethuente.h" #ifndef LBFGSBSOLVER_H #define LBFGSBSOLVER_H namespace cppoptlib { template class LbfgsbSolver : public ISolver { public: using Superclass = ISolver; using typename Superclass::Scalar; using typename Superclass::TVector; using MatrixType = Eigen::Matrix; using VariableTVector = Eigen::Matrix; protected: // workspace matrices MatrixType W, M; Scalar theta; int DIM; int m_historySize = 5; /** * @brief sort pairs (k,v) according v ascending * @details [long description] * * @param v [description] * @return [description] */ std::vector sort_indexes(const std::vector< std::pair > &v) { std::vector idx(v.size()); for (size_t i = 0; i != idx.size(); ++i) idx[i] = v[i].first; sort(idx.begin(), idx.end(), [&v](size_t i1, size_t i2) { return v[i1].second < v[i2].second; }); return idx; } void clampToBound(const TProblem &problem, TVector &x) { for (int r = 0; r < x.rows(); ++r) { if(x(r) < problem.lowerBound()(r)) x(r) = problem.lowerBound()(r); else if (x(r) > problem.upperBound()(r)) x(r) = problem.upperBound()(r); } } /** * @brief Algorithm CP: Computation of the generalized Cauchy point * @details PAGE 8 * * @param c [description] */ void getGeneralizedCauchyPoint(const TProblem &problem, const TVector &x, const TVector &g, TVector &x_cauchy, VariableTVector &c) { const int DIM = x.rows(); // Given x,l,u,g, and B = \theta I-WMW // {all t_i} = { (idx,value), ... } // TODO: use "std::set" ? std::vector > SetOfT; // the feasible set is implicitly given by "SetOfT - {t_i==0}" TVector d = -g; // n operations for (int j = 0; j < DIM; j++) { if (g(j) == 0) { SetOfT.push_back(std::make_pair(j, std::numeric_limits::max())); } else { Scalar tmp = 0; if (g(j) < 0) { tmp = (x(j) - problem.upperBound()(j)) / g(j); } else { tmp = (x(j) - problem.lowerBound()(j)) / g(j); } SetOfT.push_back(std::make_pair(j, tmp)); if (tmp == 0) d(j) = 0; } } // sortedindices [1,0,2] means the minimal element is on the 1-st entry std::vector sortedIndices = sort_indexes(SetOfT); x_cauchy = x; // Initialize // p := W^Scalar*p VariableTVector p = (W.transpose() * d); // (2mn operations) // c := 0 c = VariableTVector::Zero(W.cols()); // f' := g^Scalar*d = -d^Td Scalar f_prime = -d.dot(d); // (n operations) // f'' := \theta*d^Scalar*d-d^Scalar*W*M*W^Scalar*d = -\theta*f' - p^Scalar*M*p Scalar f_doubleprime = (Scalar)(-1.0 * theta) * f_prime - p.dot(M * p); // (O(m^2) operations) f_doubleprime = std::max(std::numeric_limits::epsilon(), f_doubleprime); Scalar f_dp_orig = f_doubleprime; // \delta t_min := -f'/f'' Scalar dt_min = -f_prime / f_doubleprime; // t_old := 0 Scalar t_old = 0; // b := argmin {t_i , t_i >0} int i = 0; for (int j = 0; j < DIM; j++) { i = j; if (SetOfT[sortedIndices[j]].second > 0) break; } int b = sortedIndices[i]; // see below // t := min{t_i : i in F} Scalar t = SetOfT[b].second; // \delta Scalar := t - 0 Scalar dt = t ; // examination of subsequent segments while ((dt_min >= dt) && (i < DIM)) { if (d(b) > 0) x_cauchy(b) = problem.upperBound()(b); else if (d(b) < 0) x_cauchy(b) = problem.lowerBound()(b); // z_b = x_p^{cp} - x_b Scalar zb = x_cauchy(b) - x(b); // c := c +\delta t*p c += dt * p; // cache VariableTVector wbt = W.row(b); f_prime += dt * f_doubleprime + (Scalar) g(b) * g(b) + (Scalar) theta * g(b) * zb - (Scalar) g(b) * wbt.transpose() * (M * c); f_doubleprime += (Scalar) - 1.0 * theta * g(b) * g(b) - (Scalar) 2.0 * (g(b) * (wbt.dot(M * p))) - (Scalar) g(b) * g(b) * wbt.transpose() * (M * wbt); f_doubleprime = std::max(std::numeric_limits::epsilon() * f_dp_orig, f_doubleprime); p += g(b) * wbt.transpose(); d(b) = 0; dt_min = -f_prime / f_doubleprime; t_old = t; ++i; if (i < DIM) { b = sortedIndices[i]; t = SetOfT[b].second; dt = t - t_old; } } dt_min = std::max(dt_min, (Scalar)0.0); t_old += dt_min; #pragma omp parallel for for (int ii = i; ii < x_cauchy.rows(); ii++) { x_cauchy(sortedIndices[ii]) = x(sortedIndices[ii]) + t_old * d(sortedIndices[ii]); } c += dt_min * p; } /** * @brief find alpha* = max {a : a <= 1 and l_i-xc_i <= a*d_i <= u_i-xc_i} * @details [long description] * * @param FreeVariables [description] * @return [description] */ Scalar findAlpha(const TProblem &problem, TVector &x_cp, VariableTVector &du, std::vector &FreeVariables) { Scalar alphastar = 1; const unsigned int n = FreeVariables.size(); assert(du.rows() == n); for (unsigned int i = 0; i < n; i++) { if (du(i) > 0) { alphastar = std::min(alphastar, (problem.upperBound()(FreeVariables[i]) - x_cp(FreeVariables[i])) / du(i)); } else { alphastar = std::min(alphastar, (problem.lowerBound()(FreeVariables[i]) - x_cp(FreeVariables[i])) / du(i)); } } return alphastar; } /** * @brief solving unbounded probelm * @details [long description] * * @param SubspaceMin [description] */ void SubspaceMinimization(const TProblem &problem, TVector &x_cauchy, TVector &x, VariableTVector &c, TVector &g, TVector &SubspaceMin) { Scalar theta_inverse = 1 / theta; std::vector FreeVariablesIndex; for (int i = 0; i < x_cauchy.rows(); i++) { if ((x_cauchy(i) != problem.upperBound()(i)) && (x_cauchy(i) != problem.lowerBound()(i))) { FreeVariablesIndex.push_back(i); } } const int FreeVarCount = FreeVariablesIndex.size(); MatrixType WZ = MatrixType::Zero(W.cols(), FreeVarCount); for (int i = 0; i < FreeVarCount; i++) WZ.col(i) = W.row(FreeVariablesIndex[i]); TVector rr = (g + theta * (x_cauchy - x) - W * (M * c)); // r=r(FreeVariables); MatrixType r = MatrixType::Zero(FreeVarCount, 1); for (int i = 0; i < FreeVarCount; i++) r.row(i) = rr.row(FreeVariablesIndex[i]); // STEP 2: "v = w^T*Z*r" and STEP 3: "v = M*v" VariableTVector v = M * (WZ * r); // STEP 4: N = 1/theta*W^T*Z*(W^T*Z)^T MatrixType N = theta_inverse * WZ * WZ.transpose(); // N = I - MN N = MatrixType::Identity(N.rows(), N.rows()) - M * N; // STEP: 5 // v = N^{-1}*v if (v.size() > 0) v = N.lu().solve(v); // STEP: 6 // HERE IS A MISTAKE IN THE ORIGINAL PAPER! VariableTVector du = -theta_inverse * r - theta_inverse * theta_inverse * WZ.transpose() * v; // STEP: 7 Scalar alpha_star = findAlpha(problem, x_cauchy, du, FreeVariablesIndex); // STEP: 8 VariableTVector dStar = alpha_star * du; SubspaceMin = x_cauchy; for (int i = 0; i < FreeVarCount; i++) { SubspaceMin(FreeVariablesIndex[i]) = SubspaceMin(FreeVariablesIndex[i]) + dStar(i); } } public: void setHistorySize(const int hs) { m_historySize = hs; } void minimize(TProblem &problem, TVector &x0) { if(!problem.isValid(x0)) std::cerr << "start with invalid x0" << std::endl; DIM = x0.rows(); theta = 1.0; W = MatrixType::Zero(DIM, 0); M = MatrixType::Zero(0, 0); MatrixType yHistory = MatrixType::Zero(DIM, 0); MatrixType sHistory = MatrixType::Zero(DIM, 0); TVector x = x0, g = x0; Scalar f = problem.value(x); problem.gradient(x, g); // conv. crit. auto noConvergence = [&](TVector &x, TVector &g)->bool { return (((x - g).cwiseMax(problem.lowerBound()).cwiseMin(problem.upperBound()) - x).template lpNorm() >= 1e-4); }; this->m_current.reset(); this->m_status = Status::Continue; while (problem.callback(this->m_current, x) && noConvergence(x, g) && (this->m_status == Status::Continue)) { Scalar f_old = f; TVector x_old = x; TVector g_old = g; // STEP 2: compute the cauchy point TVector CauchyPoint = TVector::Zero(DIM); VariableTVector c = VariableTVector::Zero(W.cols()); getGeneralizedCauchyPoint(problem, x, g, CauchyPoint, c); // STEP 3: compute a search direction d_k by the primal method for the sub-problem TVector SubspaceMin; SubspaceMinimization(problem, CauchyPoint, x, c, g, SubspaceMin); // STEP 4: perform linesearch and STEP 5: compute gradient Scalar alpha_init = 1.0; const Scalar rate = MoreThuente::linesearch(x, SubspaceMin-x , problem, alpha_init); // update current guess and function information x = x - rate*(x-SubspaceMin); // if current solution is out of bound, we clip it clampToBound(problem, x); f = problem.value(x); problem.gradient(x, g); // prepare for next iteration TVector newY = g - g_old; TVector newS = x - x_old; // STEP 6: Scalar test = newS.dot(newY); test = (test < 0) ? -1.0 * test : test; if (test > 1e-7 * newY.squaredNorm()) { if (yHistory.cols() < m_historySize) { yHistory.conservativeResize(DIM, yHistory.cols() + 1); sHistory.conservativeResize(DIM, sHistory.cols() + 1); } else { yHistory.leftCols(m_historySize - 1) = yHistory.rightCols(m_historySize - 1).eval(); sHistory.leftCols(m_historySize - 1) = sHistory.rightCols(m_historySize - 1).eval(); } yHistory.rightCols(1) = newY; sHistory.rightCols(1) = newS; // STEP 7: theta = (Scalar)(newY.transpose() * newY) / (newY.transpose() * newS); W = MatrixType::Zero(yHistory.rows(), yHistory.cols() + sHistory.cols()); W << yHistory, (theta * sHistory); MatrixType A = sHistory.transpose() * yHistory; MatrixType L = A.template triangularView(); MatrixType MM(A.rows() + L.rows(), A.rows() + L.cols()); MatrixType D = -1 * A.diagonal().asDiagonal(); MM << D, L.transpose(), L, ((sHistory.transpose() * sHistory) * theta); M = MM.inverse(); } if (fabs(f_old - f) < 1e-8) { // successive function values too similar break; } ++this->m_current.iterations; this->m_current.gradNorm = g.norm(); this->m_status = checkConvergence(this->m_stop, this->m_current); } x0 = x; if (this->m_debug > DebugLevel::None) { std::cout << "Stop status was: " << this->m_status << std::endl; std::cout << "Stop criteria were: " << std::endl << this->m_stop << std::endl; std::cout << "Current values are: " << std::endl << this->m_current << std::endl; } } }; } /* namespace cppoptlib */ #endif /* LBFGSBSOLVER_H_ */ avogadrolibs-1.100.0/thirdparty/cppoptlib/solver/lbfgssolver.h000066400000000000000000000103611474375334400245450ustar00rootroot00000000000000// CppNumericalSolver // based on: // Numerical Optimization, 2nd ed. New York: Springer // J. Nocedal and S. J. Wright #include #include #include "isolver.h" #include "../linesearch/morethuente.h" #ifndef LBFGSSOLVER_H_ #define LBFGSSOLVER_H_ namespace cppoptlib { template class LbfgsSolver : public ISolver { public: using Superclass = ISolver; using typename Superclass::Scalar; using typename Superclass::TVector; using typename Superclass::THessian; using MatrixType = Eigen::Matrix; void minimize(ProblemType &objFunc, TVector &x0) { const size_t m = 10; const size_t DIM = x0.rows(); MatrixType sVector = MatrixType::Zero(DIM, m); MatrixType yVector = MatrixType::Zero(DIM, m); Eigen::Matrix alpha = Eigen::Matrix::Zero(m); TVector grad(DIM), q(DIM), grad_old(DIM), s(DIM), y(DIM); objFunc.gradient(x0, grad); TVector x_old = x0; size_t iter = 0, globIter = 0; Scalar H0k = 1; this->m_current.reset(); do { const Scalar relativeEpsilon = static_cast(0.0001) * std::max(static_cast(1.0), x0.norm()); if (grad.norm() < relativeEpsilon) break; //Algorithm 7.4 (L-BFGS two-loop recursion) q = grad; const int k = std::min(m, iter); // for i = k − 1, k − 2, . . . , k − m§ for (int i = k - 1; i >= 0; i--) { // alpha_i <- rho_i*s_i^T*q const double rho = 1.0 / static_cast(sVector.col(i)) .dot(static_cast(yVector.col(i))); alpha(i) = rho * static_cast(sVector.col(i)).dot(q); // q <- q - alpha_i*y_i q = q - alpha(i) * yVector.col(i); } // r <- H_k^0*q q = H0k * q; //for i k − m, k − m + 1, . . . , k − 1 for (int i = 0; i < k; i++) { // beta <- rho_i * y_i^T * r const Scalar rho = 1.0 / static_cast(sVector.col(i)) .dot(static_cast(yVector.col(i))); const Scalar beta = rho * static_cast(yVector.col(i)).dot(q); // r <- r + s_i * ( alpha_i - beta) q = q + sVector.col(i) * (alpha(i) - beta); } // stop with result "H_k*f_f'=q" // any issues with the descent direction ? Scalar descent = -grad.dot(q); Scalar alpha_init = 1.0 / grad.norm(); if (descent > -0.0001 * relativeEpsilon) { q = -1 * grad; iter = 0; alpha_init = 1.0; } // find steplength const Scalar rate = MoreThuente::linesearch(x0, -q, objFunc, alpha_init) ; // update guess x0 = x0 - rate * q; grad_old = grad; objFunc.gradient(x0, grad); s = x0 - x_old; y = grad - grad_old; // update the history if (iter < m) { sVector.col(iter) = s; yVector.col(iter) = y; } else { sVector.leftCols(m - 1) = sVector.rightCols(m - 1).eval(); sVector.rightCols(1) = s; yVector.leftCols(m - 1) = yVector.rightCols(m - 1).eval(); yVector.rightCols(1) = y; } // update the scaling factor H0k = y.dot(s) / static_cast(y.dot(y)); x_old = x0; // std::cout << "iter: "<m_current.iterations; this->m_current.gradNorm = grad.template lpNorm(); this->m_status = checkConvergence(this->m_stop, this->m_current); } while ((objFunc.callback(this->m_current, x0)) && (this->m_status == Status::Continue)); } }; } /* namespace cppoptlib */ #endif /* LBFGSSOLVER_H_ */ avogadrolibs-1.100.0/thirdparty/cppoptlib/solver/neldermeadsolver.h000066400000000000000000000160531474375334400255540ustar00rootroot00000000000000// CppNumericalSolver #ifndef NELDERMEADSOLVER_H_ #define NELDERMEADSOLVER_H_ #include #include #include "isolver.h" #include "../meta.h" namespace cppoptlib { template class NelderMeadSolver : public ISolver { public: using Superclass = ISolver; using typename Superclass::Scalar; using typename Superclass::TVector; using MatrixType = Eigen::Matrix; MatrixType x0; SimplexOp lastOp = SimplexOp::Place; Status stop_condition; bool initialSimplexCreated = false; MatrixType makeInitialSimplex(TVector &x) { size_t DIM = x.rows(); MatrixType s = MatrixType::Zero(DIM, DIM + 1); for (int c = 0; c < int(DIM) + 1; ++c) { for (int r = 0; r < int(DIM); ++r) { s(r, c) = x(r); if (r == c - 1) { if (x(r) == 0) { s(r, c) = 0.00025; } else { s(r, c) = (1 + 0.05) * x(r); } } } } return s; } /** * @brief minimize * @details [long description] * * @param objFunc [description] */ void minimize(ProblemType &objFunc, TVector &x) { const Scalar rho = 1.; // rho > 0 const Scalar xi = 2.; // xi > max(rho, 1) const Scalar gam = 0.5; // 0 < gam < 1 const size_t DIM = x.rows(); // create initial simplex if (! initialSimplexCreated) { x0 = makeInitialSimplex(x); } // compute function values std::vector f; f.resize(DIM + 1); std::vector index; index.resize(DIM + 1); for (int i = 0; i < int(DIM) + 1; ++i) { f[i] = objFunc(static_cast(x0.col(i))); index[i] = i; } sort(index.begin(), index.end(), [&](int a, int b)-> bool { return f[a] < f[b]; }); int iter = 0; const int maxIter = this->m_stop.iterations * DIM; while ( objFunc.callback(this->m_current, x0.col(index[0])) && (iter < maxIter) ) { // conv-check Scalar max1 = fabs(f[index[1]] - f[index[0]]); Scalar max2 = (x0.col(index[1]) - x0.col(index[0]) ).array().abs().maxCoeff(); for (int i = 2; i < int(DIM) + 1; ++i) { Scalar tmp1 = fabs(f[index[i]] - f[index[0]]); if (tmp1 > max1) max1 = tmp1; Scalar tmp2 = (x0.col(index[i]) - x0.col(index[0]) ).array().abs().maxCoeff(); if (tmp2 > max2) max2 = tmp2; } const Scalar tt1 = std::max(Scalar(1.e-04), 10 * std::nextafter(f[index[0]], std::numeric_limits::epsilon()) - f[index[0]]); const Scalar tt2 = std::max(Scalar(1.e-04), 10 * (std::nextafter(x0.col(index[0]).maxCoeff(), std::numeric_limits::epsilon()) - x0.col(index[0]).maxCoeff())); // User-defined stopping criteria this->m_current.iterations = iter; this->m_current.fDelta = max1; this->m_current.xDelta = max2; stop_condition = checkConvergence(this->m_stop, this->m_current); if (this->m_stop.iterations != 0 && stop_condition != Status::Continue) { break; } // Allow stopping in the callback. This callback gets the correct current // state unlike the simple one in while(), which get previous state. if (objFunc.detailed_callback(this->m_current, lastOp, index[0], x0, f) == false) { stop_condition = Status::UserDefined; break; } // max(||x - shift(x) ||_inf ) <= tol, if (max1 <= tt1) { // values to similar if (max2 <= tt2) { stop_condition = Status::FDeltaTolerance; break; } } ////////////////////////// // midpoint of the simplex opposite the worst point TVector x_bar = TVector::Zero(DIM); for (int i = 0; i < int(DIM); ++i) { x_bar += x0.col(index[i]); } x_bar /= Scalar(DIM); // Compute the reflection point const TVector x_r = ( 1. + rho ) * x_bar - rho * x0.col(index[DIM]); const Scalar f_r = objFunc(x_r); lastOp = SimplexOp::Reflect; if (f_r < f[index[0]]) { // the expansion point const TVector x_e = ( 1. + rho * xi ) * x_bar - rho * xi * x0.col(index[DIM]); const Scalar f_e = objFunc(x_e); if ( f_e < f_r ) { // expand lastOp = SimplexOp::Expand; x0.col(index[DIM]) = x_e; f[index[DIM]] = f_e; } else { // reflect lastOp = SimplexOp::Reflect; x0.col(index[DIM]) = x_r; f[index[DIM]] = f_r; } } else { if ( f_r < f[index[DIM - 1]] ) { x0.col(index[DIM]) = x_r; f[index[DIM]] = f_r; } else { // contraction if (f_r < f[index[DIM]]) { const TVector x_c = (1 + rho * gam) * x_bar - rho * gam * x0.col(index[DIM]); const Scalar f_c = objFunc(x_c); if ( f_c <= f_r ) { // outside x0.col(index[DIM]) = x_c; f[index[DIM]] = f_c; lastOp = SimplexOp::ContractOut; } else { shrink(x0, index, f, objFunc); lastOp = SimplexOp::Shrink; } } else { // inside const TVector x_c = ( 1 - gam ) * x_bar + gam * x0.col(index[DIM]); const Scalar f_c = objFunc(x_c); if (f_c < f[index[DIM]]) { x0.col(index[DIM]) = x_c; f[index[DIM]] = f_c; lastOp = SimplexOp::ContractIn; } else { shrink(x0, index, f, objFunc); lastOp = SimplexOp::Shrink; } } } } sort(index.begin(), index.end(), [&](int a, int b)-> bool { return f[a] < f[b]; }); iter++; if (iter >= maxIter) { stop_condition = Status::IterationLimit; } else { stop_condition = Status::UserDefined; // if stopped in the callback in while() } } // while loop // report the last result objFunc.detailed_callback(this->m_current, lastOp, index[0], x0, f); x = x0.col(index[0]); } void shrink(MatrixType &x, std::vector &index, std::vector &f, ProblemType &objFunc) { const Scalar sig = 0.5; // 0 < sig < 1 const int DIM = x.rows(); f[index[0]] = objFunc(x.col(index[0])); for (int i = 1; i < DIM + 1; ++i) { x.col(index[i]) = sig * x.col(index[i]) + (1. - sig) * x.col(index[0]); f[index[i]] = objFunc(x.col(index[i])); } } // Need our own checker here to get rid of the gradient test used in other solvers template Status checkConvergence(const Criteria &stop, const Criteria ¤t) { if ((stop.iterations > 0) && (current.iterations > stop.iterations)) { return Status::IterationLimit; } if ((stop.xDelta > 0) && (current.xDelta < stop.xDelta)) { return Status::XDeltaTolerance; } if ((stop.fDelta > 0) && (current.fDelta < stop.fDelta)) { return Status::FDeltaTolerance; } return Status::Continue; } }; /* class NelderMeadSolver */ } /* namespace cppoptlib */ #endif /* NELDERMEADSOLVER_H_ */ avogadrolibs-1.100.0/thirdparty/cppoptlib/solver/newtondescentsolver.h000066400000000000000000000027701474375334400263350ustar00rootroot00000000000000// CppNumericalSolver #include #include #include "isolver.h" #include "../linesearch/armijo.h" #ifndef NEWTONDESCENTSOLVER_H_ #define NEWTONDESCENTSOLVER_H_ namespace cppoptlib { template class NewtonDescentSolver : public ISolver { public: using Superclass = ISolver; using typename Superclass::Scalar; using typename Superclass::TVector; using typename Superclass::THessian; void minimize(ProblemType &objFunc, TVector &x0) { const int DIM = x0.rows(); TVector grad = TVector::Zero(DIM); THessian hessian = THessian::Zero(DIM, DIM); this->m_current.reset(); do { objFunc.gradient(x0, grad); objFunc.hessian(x0, hessian); hessian += (1e-5) * THessian::Identity(DIM, DIM); TVector delta_x = hessian.lu().solve(-grad); const double rate = Armijo::linesearch(x0, delta_x, objFunc) ; x0 = x0 + rate * delta_x; // std::cout << "iter: "<m_current.iterations; this->m_current.gradNorm = grad.template lpNorm(); this->m_status = checkConvergence(this->m_stop, this->m_current); } while (objFunc.callback(this->m_current, x0) && (this->m_status == Status::Continue)); } }; } /* namespace cppoptlib */ #endif /* NEWTONDESCENTSOLVER_H_ */ avogadrolibs-1.100.0/thirdparty/cppoptlib/timer.h000066400000000000000000000032771474375334400220330ustar00rootroot00000000000000#ifndef TIMER_H #define TIMER_H #include #include namespace cppoptlib { template class timer { std::chrono::time_point start_v; std::chrono::time_point pause_v; std::chrono::time_point end_v; bool stopped; bool paused; public: explicit timer() : stopped(false), paused(false) { start_v = C::now(); } ~timer() {} /** * @brief start stopwatch * @details [long description] */ void start() { start_v = C::now(); paused = false; stopped = false; } /** * @brief pause stopwatch, but allows resuming * @details [long description] */ void pause() { pause_v = C::now(); paused = true; } void resume() { if(stopped) throw std::runtime_error("cannot resume a stopped timer"); start_v += C::now() - pause_v; paused = false; stopped = false; } void stop() { end_v = C::now(); stopped = true; } template typename U::rep elapsed() const { /* example: cns::timer t; t.sart(); // do something t.stop(); std::cout << t.elapsed() << std::endl; where UNIT can be: std::chrono::nanoseconds std::chrono::microseconds std::chrono::milliseconds std::chrono::seconds std::chrono::minutes std::chrono::hours */ return (stopped) ? std::chrono::duration_cast(end_v - start_v).count() : (paused) ? std::chrono::duration_cast(pause_v - start_v).count() : std::chrono::duration_cast(C::now() - start_v).count();; } }; } /* namespace cns */ #endif /* TIMER_H */ avogadrolibs-1.100.0/thirdparty/gif-h/000077500000000000000000000000001474375334400175275ustar00rootroot00000000000000avogadrolibs-1.100.0/thirdparty/gif-h/LICENSE000066400000000000000000000022721474375334400205370ustar00rootroot00000000000000This is free and unencumbered software released into the public domain. Anyone is free to copy, modify, publish, use, compile, sell, or distribute this software, either in source code form or as a compiled binary, for any purpose, commercial or non-commercial, and by any means. In jurisdictions that recognize copyright laws, the author or authors of this software dedicate any and all copyright interest in the software to the public domain. We make this dedication for the benefit of the public at large and to the detriment of our heirs and successors. We intend this dedication to be an overt act of relinquishment in perpetuity of all present and future rights to this software under copyright law. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. For more information, please refer to avogadrolibs-1.100.0/thirdparty/gif-h/README.md000066400000000000000000000016301474375334400210060ustar00rootroot00000000000000gif-h ===== This one-header library offers a simple, very limited way to create animated GIFs directly in code. Those looking for particular cleverness are likely to be disappointed; it's pretty much a straight-ahead implementation of the GIF format with optional Floyd-Steinberg dithering. (It does at least use delta encoding - only the changed portions of each frame are saved.) So resulting files are often quite large. The hope is that it will be handy nonetheless as a quick and easily-integrated way for programs to spit out animations. Only RGBA8 is currently supported as an input format. (The alpha is ignored.) Email me : ctangora -at- gmail -dot- com Usage: ------------------- Create a GifWriter struct. Pass the struct to GifBegin() to initialize values and write the file header. Pass frames of the animation to GifWriteFrame(). Finally, call GifEnd() to close the file handle and free memory. avogadrolibs-1.100.0/thirdparty/gif-h/gif.h000066400000000000000000000655411474375334400204600ustar00rootroot00000000000000// // gif.h // by Charlie Tangora // Public domain. // Email me : ctangora -at- gmail -dot- com // // This file offers a simple, very limited way to create animated GIFs directly in code. // // Those looking for particular cleverness are likely to be disappointed; it's pretty // much a straight-ahead implementation of the GIF format with optional Floyd-Steinberg // dithering. (It does at least use delta encoding - only the changed portions of each // frame are saved.) // // So resulting files are often quite large. The hope is that it will be handy nonetheless // as a quick and easily-integrated way for programs to spit out animations. // // Only RGBA8 is currently supported as an input format. (The alpha is ignored.) // // If capturing a buffer with a bottom-left origin (such as OpenGL), define GIF_FLIP_VERT // to automatically flip the buffer data when writing the image (the buffer itself is // unchanged. // // USAGE: // Create a GifWriter struct. Pass it to GifBegin() to initialize and write the header. // Pass subsequent frames to GifWriteFrame(). // Finally, call GifEnd() to close the file handle and free memory. // #ifndef gif_h #define gif_h #include // for FILE* #include // for memcpy and bzero #include // for integer typedefs #include // for bool macros // Define these macros to hook into a custom memory allocator. // TEMP_MALLOC and TEMP_FREE will only be called in stack fashion - frees in the reverse order of mallocs // and any temp memory allocated by a function will be freed before it exits. // MALLOC and FREE are used only by GifBegin and GifEnd respectively (to allocate a buffer the size of the image, which // is used to find changed pixels for delta-encoding.) #ifndef GIF_TEMP_MALLOC #include #define GIF_TEMP_MALLOC malloc #endif #ifndef GIF_TEMP_FREE #include #define GIF_TEMP_FREE free #endif #ifndef GIF_MALLOC #include #define GIF_MALLOC malloc #endif #ifndef GIF_FREE #include #define GIF_FREE free #endif const int kGifTransIndex = 0; typedef struct { int bitDepth; uint8_t r[256]; uint8_t g[256]; uint8_t b[256]; // k-d tree over RGB space, organized in heap fashion // i.e. left child of node i is node i*2, right child is node i*2+1 // nodes 256-511 are implicitly the leaves, containing a color uint8_t treeSplitElt[256]; uint8_t treeSplit[256]; } GifPalette; // max, min, and abs functions int GifIMax(int l, int r) { return l>r?l:r; } int GifIMin(int l, int r) { return l (1<bitDepth)-1) { int ind = treeRoot-(1<bitDepth); if(ind == kGifTransIndex) return; // check whether this color is better than the current winner int r_err = r - ((int32_t)pPal->r[ind]); int g_err = g - ((int32_t)pPal->g[ind]); int b_err = b - ((int32_t)pPal->b[ind]); int diff = GifIAbs(r_err)+GifIAbs(g_err)+GifIAbs(b_err); if(diff < *bestDiff) { *bestInd = ind; *bestDiff = diff; } return; } // take the appropriate color (r, g, or b) for this node of the k-d tree int comps[3]; comps[0] = r; comps[1] = g; comps[2] = b; int splitComp = comps[pPal->treeSplitElt[treeRoot]]; int splitPos = pPal->treeSplit[treeRoot]; if(splitPos > splitComp) { // check the left subtree GifGetClosestPaletteColor(pPal, r, g, b, bestInd, bestDiff, treeRoot*2); if( *bestDiff > splitPos - splitComp ) { // cannot prove there's not a better value in the right subtree, check that too GifGetClosestPaletteColor(pPal, r, g, b, bestInd, bestDiff, treeRoot*2+1); } } else { GifGetClosestPaletteColor(pPal, r, g, b, bestInd, bestDiff, treeRoot*2+1); if( *bestDiff > splitComp - splitPos ) { GifGetClosestPaletteColor(pPal, r, g, b, bestInd, bestDiff, treeRoot*2); } } } void GifSwapPixels(uint8_t* image, int pixA, int pixB) { uint8_t rA = image[pixA*4]; uint8_t gA = image[pixA*4+1]; uint8_t bA = image[pixA*4+2]; uint8_t aA = image[pixA*4+3]; uint8_t rB = image[pixB*4]; uint8_t gB = image[pixB*4+1]; uint8_t bB = image[pixB*4+2]; uint8_t aB = image[pixA*4+3]; image[pixA*4] = rB; image[pixA*4+1] = gB; image[pixA*4+2] = bB; image[pixA*4+3] = aB; image[pixB*4] = rA; image[pixB*4+1] = gA; image[pixB*4+2] = bA; image[pixB*4+3] = aA; } // just the partition operation from quicksort int GifPartition(uint8_t* image, const int left, const int right, const int elt, int pivotIndex) { const int pivotValue = image[(pivotIndex)*4+elt]; GifSwapPixels(image, pivotIndex, right-1); int storeIndex = left; bool split = 0; for(int ii=left; ii neededCenter) GifPartitionByMedian(image, left, pivotIndex, com, neededCenter); if(pivotIndex < neededCenter) GifPartitionByMedian(image, pivotIndex+1, right, com, neededCenter); } } // Builds a palette by creating a balanced k-d tree of all pixels in the image void GifSplitPalette(uint8_t* image, int numPixels, int firstElt, int lastElt, int splitElt, int splitDist, int treeNode, bool buildForDither, GifPalette* pal) { if(lastElt <= firstElt || numPixels == 0) return; // base case, bottom of the tree if(lastElt == firstElt+1) { if(buildForDither) { // Dithering needs at least one color as dark as anything // in the image and at least one brightest color - // otherwise it builds up error and produces strange artifacts if( firstElt == 1 ) { // special case: the darkest color in the image uint32_t r=255, g=255, b=255; for(int ii=0; iir[firstElt] = (uint8_t)r; pal->g[firstElt] = (uint8_t)g; pal->b[firstElt] = (uint8_t)b; return; } if( firstElt == (1 << pal->bitDepth)-1 ) { // special case: the lightest color in the image uint32_t r=0, g=0, b=0; for(int ii=0; iir[firstElt] = (uint8_t)r; pal->g[firstElt] = (uint8_t)g; pal->b[firstElt] = (uint8_t)b; return; } } // otherwise, take the average of all colors in this subcube uint64_t r=0, g=0, b=0; for(int ii=0; iir[firstElt] = (uint8_t)r; pal->g[firstElt] = (uint8_t)g; pal->b[firstElt] = (uint8_t)b; return; } // Find the axis with the largest range int minR = 255, maxR = 0; int minG = 255, maxG = 0; int minB = 255, maxB = 0; for(int ii=0; ii maxR) maxR = r; if(r < minR) minR = r; if(g > maxG) maxG = g; if(g < minG) minG = g; if(b > maxB) maxB = b; if(b < minB) minB = b; } int rRange = maxR - minR; int gRange = maxG - minG; int bRange = maxB - minB; // and split along that axis. (incidentally, this means this isn't a "proper" k-d tree but I don't know what else to call it) int splitCom = 1; if(bRange > gRange) splitCom = 2; if(rRange > bRange && rRange > gRange) splitCom = 0; int subPixelsA = numPixels * (splitElt - firstElt) / (lastElt - firstElt); int subPixelsB = numPixels-subPixelsA; GifPartitionByMedian(image, 0, numPixels, splitCom, subPixelsA); pal->treeSplitElt[treeNode] = (uint8_t)splitCom; pal->treeSplit[treeNode] = image[subPixelsA*4+splitCom]; GifSplitPalette(image, subPixelsA, firstElt, splitElt, splitElt-splitDist, splitDist/2, treeNode*2, buildForDither, pal); GifSplitPalette(image+subPixelsA*4, subPixelsB, splitElt, lastElt, splitElt+splitDist, splitDist/2, treeNode*2+1, buildForDither, pal); } // Finds all pixels that have changed from the previous image and // moves them to the fromt of th buffer. // This allows us to build a palette optimized for the colors of the // changed pixels only. int GifPickChangedPixels( const uint8_t* lastFrame, uint8_t* frame, int numPixels ) { int numChanged = 0; uint8_t* writeIter = frame; for (int ii=0; iibitDepth = bitDepth; // SplitPalette is destructive (it sorts the pixels by color) so // we must create a copy of the image for it to destroy size_t imageSize = (size_t)(width * height * 4 * sizeof(uint8_t)); uint8_t* destroyableImage = (uint8_t*)GIF_TEMP_MALLOC(imageSize); memcpy(destroyableImage, nextFrame, imageSize); int numPixels = (int)(width * height); if(lastFrame) numPixels = GifPickChangedPixels(lastFrame, destroyableImage, numPixels); const int lastElt = 1 << bitDepth; const int splitElt = lastElt/2; const int splitDist = splitElt/2; GifSplitPalette(destroyableImage, numPixels, 1, lastElt, splitElt, splitDist, 1, buildForDither, pPal); GIF_TEMP_FREE(destroyableImage); // add the bottom node for the transparency index pPal->treeSplit[1 << (bitDepth-1)] = 0; pPal->treeSplitElt[1 << (bitDepth-1)] = 0; pPal->r[0] = pPal->g[0] = pPal->b[0] = 0; } // Implements Floyd-Steinberg dithering, writes palette value to alpha void GifDitherImage( const uint8_t* lastFrame, const uint8_t* nextFrame, uint8_t* outFrame, uint32_t width, uint32_t height, GifPalette* pPal ) { int numPixels = (int)(width * height); // quantPixels initially holds color*256 for all pixels // The extra 8 bits of precision allow for sub-single-color error values // to be propagated int32_t *quantPixels = (int32_t *)GIF_TEMP_MALLOC(sizeof(int32_t) * (size_t)numPixels * 4); for( int ii=0; iir[bestInd]) * 256; int32_t g_err = nextPix[1] - (int32_t)(pPal->g[bestInd]) * 256; int32_t b_err = nextPix[2] - (int32_t)(pPal->b[bestInd]) * 256; nextPix[0] = pPal->r[bestInd]; nextPix[1] = pPal->g[bestInd]; nextPix[2] = pPal->b[bestInd]; nextPix[3] = bestInd; // Propagate the error to the four adjacent locations // that we haven't touched yet int quantloc_7 = (int)(yy * width + xx + 1); int quantloc_3 = (int)(yy * width + width + xx - 1); int quantloc_5 = (int)(yy * width + width + xx); int quantloc_1 = (int)(yy * width + width + xx + 1); if(quantloc_7 < numPixels) { int32_t* pix7 = quantPixels+4*quantloc_7; pix7[0] += GifIMax( -pix7[0], r_err * 7 / 16 ); pix7[1] += GifIMax( -pix7[1], g_err * 7 / 16 ); pix7[2] += GifIMax( -pix7[2], b_err * 7 / 16 ); } if(quantloc_3 < numPixels) { int32_t* pix3 = quantPixels+4*quantloc_3; pix3[0] += GifIMax( -pix3[0], r_err * 3 / 16 ); pix3[1] += GifIMax( -pix3[1], g_err * 3 / 16 ); pix3[2] += GifIMax( -pix3[2], b_err * 3 / 16 ); } if(quantloc_5 < numPixels) { int32_t* pix5 = quantPixels+4*quantloc_5; pix5[0] += GifIMax( -pix5[0], r_err * 5 / 16 ); pix5[1] += GifIMax( -pix5[1], g_err * 5 / 16 ); pix5[2] += GifIMax( -pix5[2], b_err * 5 / 16 ); } if(quantloc_1 < numPixels) { int32_t* pix1 = quantPixels+4*quantloc_1; pix1[0] += GifIMax( -pix1[0], r_err / 16 ); pix1[1] += GifIMax( -pix1[1], g_err / 16 ); pix1[2] += GifIMax( -pix1[2], b_err / 16 ); } } } // Copy the palettized result to the output buffer for( int ii=0; iir[bestInd]; outFrame[1] = pPal->g[bestInd]; outFrame[2] = pPal->b[bestInd]; outFrame[3] = (uint8_t)bestInd; } if(lastFrame) lastFrame += 4; outFrame += 4; nextFrame += 4; } } // Simple structure to write out the LZW-compressed portion of the image // one bit at a time typedef struct { uint8_t bitIndex; // how many bits in the partial byte written so far uint8_t byte; // current partial byte uint32_t chunkIndex; uint8_t chunk[256]; // bytes are written in here until we have 256 of them, then written to the file } GifBitStatus; // insert a single bit void GifWriteBit( GifBitStatus* stat, uint32_t bit ) { bit = bit & 1; bit = bit << stat->bitIndex; stat->byte |= bit; ++stat->bitIndex; if( stat->bitIndex > 7 ) { // move the newly-finished byte to the chunk buffer stat->chunk[stat->chunkIndex++] = stat->byte; // and start a new byte stat->bitIndex = 0; stat->byte = 0; } } // write all bytes so far to the file void GifWriteChunk( FILE* f, GifBitStatus* stat ) { fputc((int)stat->chunkIndex, f); fwrite(stat->chunk, 1, stat->chunkIndex, f); stat->bitIndex = 0; stat->byte = 0; stat->chunkIndex = 0; } void GifWriteCode( FILE* f, GifBitStatus* stat, uint32_t code, uint32_t length ) { for( uint32_t ii=0; ii> 1; if( stat->chunkIndex == 255 ) { GifWriteChunk(f, stat); } } } // The LZW dictionary is a 256-ary tree constructed as the file is encoded, // this is one node typedef struct { uint16_t m_next[256]; } GifLzwNode; // write a 256-color (8-bit) image palette to the file void GifWritePalette( const GifPalette* pPal, FILE* f ) { fputc(0, f); // first color: transparency fputc(0, f); fputc(0, f); for(int ii=1; ii<(1 << pPal->bitDepth); ++ii) { uint32_t r = pPal->r[ii]; uint32_t g = pPal->g[ii]; uint32_t b = pPal->b[ii]; fputc((int)r, f); fputc((int)g, f); fputc((int)b, f); } } // write the image header, LZW-compress and write out the image void GifWriteLzwImage(FILE* f, uint8_t* image, uint32_t left, uint32_t top, uint32_t width, uint32_t height, uint32_t delay, GifPalette* pPal) { // graphics control extension fputc(0x21, f); fputc(0xf9, f); fputc(0x04, f); fputc(0x05, f); // leave prev frame in place, this frame has transparency fputc(delay & 0xff, f); fputc((delay >> 8) & 0xff, f); fputc(kGifTransIndex, f); // transparent color index fputc(0, f); fputc(0x2c, f); // image descriptor block fputc(left & 0xff, f); // corner of image in canvas space fputc((left >> 8) & 0xff, f); fputc(top & 0xff, f); fputc((top >> 8) & 0xff, f); fputc(width & 0xff, f); // width and height of image fputc((width >> 8) & 0xff, f); fputc(height & 0xff, f); fputc((height >> 8) & 0xff, f); //fputc(0, f); // no local color table, no transparency //fputc(0x80, f); // no local color table, but transparency fputc(0x80 + pPal->bitDepth-1, f); // local color table present, 2 ^ bitDepth entries GifWritePalette(pPal, f); const int minCodeSize = pPal->bitDepth; const uint32_t clearCode = 1 << pPal->bitDepth; fputc(minCodeSize, f); // min code size 8 bits GifLzwNode* codetree = (GifLzwNode*)GIF_TEMP_MALLOC(sizeof(GifLzwNode)*4096); memset(codetree, 0, sizeof(GifLzwNode)*4096); int32_t curCode = -1; uint32_t codeSize = (uint32_t)minCodeSize + 1; uint32_t maxCode = clearCode+1; GifBitStatus stat; stat.byte = 0; stat.bitIndex = 0; stat.chunkIndex = 0; GifWriteCode(f, &stat, clearCode, codeSize); // start with a fresh LZW dictionary for(uint32_t yy=0; yy= (1ul << codeSize) ) { // dictionary entry count has broken a size barrier, // we need more bits for codes codeSize++; } if( maxCode == 4095 ) { // the dictionary is full, clear it out and begin anew GifWriteCode(f, &stat, clearCode, codeSize); // clear tree memset(codetree, 0, sizeof(GifLzwNode)*4096); codeSize = (uint32_t)(minCodeSize + 1); maxCode = clearCode+1; } curCode = nextValue; } } } // compression footer GifWriteCode(f, &stat, (uint32_t)curCode, codeSize); GifWriteCode(f, &stat, clearCode, codeSize); GifWriteCode(f, &stat, clearCode + 1, (uint32_t)minCodeSize + 1); // write out the last partial chunk while( stat.bitIndex ) GifWriteBit(&stat, 0); if( stat.chunkIndex ) GifWriteChunk(f, &stat); fputc(0, f); // image block terminator GIF_TEMP_FREE(codetree); } typedef struct { FILE* f; uint8_t* oldImage; bool firstFrame; } GifWriter; // Creates a gif file. // The input GIFWriter is assumed to be uninitialized. // The delay value is the time between frames in hundredths of a second - note that not all viewers pay much attention to this value. bool GifBegin( GifWriter* writer, const char* filename, uint32_t width, uint32_t height, uint32_t delay, int32_t bitDepth = 8, bool dither = false ) { (void)bitDepth; (void)dither; // Mute "Unused argument" warnings #if defined(_MSC_VER) && (_MSC_VER >= 1400) writer->f = 0; fopen_s(&writer->f, filename, "wb"); #else writer->f = fopen(filename, "wb"); #endif if(!writer->f) return false; writer->firstFrame = true; // allocate writer->oldImage = (uint8_t*)GIF_MALLOC(width*height*4); fputs("GIF89a", writer->f); // screen descriptor fputc(width & 0xff, writer->f); fputc((width >> 8) & 0xff, writer->f); fputc(height & 0xff, writer->f); fputc((height >> 8) & 0xff, writer->f); fputc(0xf0, writer->f); // there is an unsorted global color table of 2 entries fputc(0, writer->f); // background color fputc(0, writer->f); // pixels are square (we need to specify this because it's 1989) // now the "global" palette (really just a dummy palette) // color 0: black fputc(0, writer->f); fputc(0, writer->f); fputc(0, writer->f); // color 1: also black fputc(0, writer->f); fputc(0, writer->f); fputc(0, writer->f); if( delay != 0 ) { // animation header fputc(0x21, writer->f); // extension fputc(0xff, writer->f); // application specific fputc(11, writer->f); // length 11 fputs("NETSCAPE2.0", writer->f); // yes, really fputc(3, writer->f); // 3 bytes of NETSCAPE2.0 data fputc(1, writer->f); // JUST BECAUSE fputc(0, writer->f); // loop infinitely (byte 0) fputc(0, writer->f); // loop infinitely (byte 1) fputc(0, writer->f); // block terminator } return true; } // Writes out a new frame to a GIF in progress. // The GIFWriter should have been created by GIFBegin. // AFAIK, it is legal to use different bit depths for different frames of an image - // this may be handy to save bits in animations that don't change much. bool GifWriteFrame( GifWriter* writer, const uint8_t* image, uint32_t width, uint32_t height, uint32_t delay, int bitDepth = 8, bool dither = false ) { if(!writer->f) return false; const uint8_t* oldImage = writer->firstFrame? NULL : writer->oldImage; writer->firstFrame = false; GifPalette pal; GifMakePalette((dither? NULL : oldImage), image, width, height, bitDepth, dither, &pal); if(dither) GifDitherImage(oldImage, image, writer->oldImage, width, height, &pal); else GifThresholdImage(oldImage, image, writer->oldImage, width, height, &pal); GifWriteLzwImage(writer->f, writer->oldImage, 0, 0, width, height, delay, &pal); return true; } // Writes the EOF code, closes the file handle, and frees temp memory used by a GIF. // Many if not most viewers will still display a GIF properly if the EOF code is missing, // but it's still a good idea to write it out. bool GifEnd( GifWriter* writer ) { if(!writer->f) return false; fputc(0x3b, writer->f); // end of file fclose(writer->f); GIF_FREE(writer->oldImage); writer->f = NULL; writer->oldImage = NULL; return true; } #endif avogadrolibs-1.100.0/thirdparty/libgwavi/000077500000000000000000000000001474375334400203415ustar00rootroot00000000000000avogadrolibs-1.100.0/thirdparty/libgwavi/AUTHORS.md000066400000000000000000000003361474375334400220120ustar00rootroot00000000000000## AUTHORS * Michael Kohn (2008-2011, original author of libkohn-avi) * Robin Hahling "Rolinh" (2013, gwavi fork of libkohn-avi) avogadrolibs-1.100.0/thirdparty/libgwavi/CMakeLists.txt000066400000000000000000000006671474375334400231120ustar00rootroot00000000000000add_library(gwavi STATIC gwavi.c fileio.c avi-utils.c) set_target_properties(gwavi PROPERTIES POSITION_INDEPENDENT_CODE TRUE) target_include_directories(gwavi PUBLIC $) install(TARGETS gwavi EXPORT "AvogadroLibsTargets" RUNTIME DESTINATION "${INSTALL_RUNTIME_DIR}/avogadro2" LIBRARY DESTINATION "${INSTALL_LIBRARY_DIR}/avogadro2" ARCHIVE DESTINATION "${INSTALL_ARCHIVE_DIR}/avogadro2") avogadrolibs-1.100.0/thirdparty/libgwavi/LICENSE000066400000000000000000000027771474375334400213630ustar00rootroot00000000000000Copyright (c) 2008-2011, Michael Kohn Copyright (c) 2013, Robin Hahling All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: * Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. * Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. * Neither the name of the author nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. avogadrolibs-1.100.0/thirdparty/libgwavi/README.md000066400000000000000000000052171474375334400216250ustar00rootroot00000000000000# DISCLAIMER Even though you can already generate AVI files, this library has not reached a final version yet and is still a work in progress. You've been warned... ;) # SYNOPSIS `libgwavi` is a fork of `libkohn-avi`. It is a tiny C library aimed at creating AVI files. Original credits go to Michael Kohn, who released his library under the LGPL license. He, however, allowed me to release my forked version under the less restrictive 3-clause BSD license so... Thanks to him! Anyway, why the fork you might ask? I used it in an application that needed the library to be reliable. So here is what has already changed from `libkohn-avi`: * added library documentation * removed dead code * improved error checking * added unit tests # BUILD This library has no dependencies, you only need the standard C library. To generate `libgwavi.so`, just type the following from the root's directory: make To generate the documentation of the library functions, type the following: make doc The code includes a demo application that uses `libgwavi`. You can build it using this command: make examples # HOW TO USE IT For a complete example, have a look at the demo application in the examples folder. If your in a hurry, here is a small explanation on how to use it. First, you need to include the header file. #include "gwavi.h" There is basically four main function that you will need to use: * `gwavi_open()` * `gwavi_add_frame()` * `gwavi_add_audio()` * `gwavi_close()` Please, note that error checking has been voluntarily omitted int the examples below for the sake of the clarification. So first, you should declare a `gwavi_t` structure and initialize it. You can optionally declare a `gwavi_audio_t` structure if you need to add an audio channel to your AVI file. struct gwavi_t *gwavi; struct gwavi_audio_t audio; gwavi = gwavi_open("foo.avi", 1920, 1080, "MJPG", 30, &audio); Note that the audio channel is optional and that you can pass `NULL` as the last argument of `gwavi_open()` if you don't need it. Then you add your video frames: gwavi_add_frame(gwavi, buffer, buffer_length); You can also add audio with `gwavi_add_audio()`. And at the end, you can close the output file and free the allocated memory by calling the `gwavi_close()` function. gwavi_close(gwavi); # DOCUMENTATION The library documentation can be generated with `make doc` if you have `doxygen` installed. Otherwise, you can just visit http://doc.gw-computing.net/libgwavi. avogadrolibs-1.100.0/thirdparty/libgwavi/avi-utils.c000066400000000000000000000420601474375334400224240ustar00rootroot00000000000000/* * Copyright (c) 2008-2011, Michael Kohn * Copyright (c) 2013, Robin Hahling * All rights reserved. * * Redistribution and use in source and binary forms, with or without * modification, are permitted provided that the following conditions are met: * * * Redistributions of source code must retain the above copyright notice, this * list of conditions and the following disclaimer. * * * Redistributions in binary form must reproduce the above copyright notice, * this list of conditions and the following disclaimer in the documentation * and/or other materials provided with the distribution. * * * Neither the name of the author nor the names of its contributors may be * used to endorse or promote products derived from this software without * specific prior written permission. * * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" * AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE * IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE * ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE * LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR * CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF * SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS * INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN * CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) * ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE * POSSIBILITY OF SUCH DAMAGE. */ /* * Set of functions useful to create an AVI file. It is used to write things * such as AVI header and so on. */ #include #include #include "avi-utils.h" #include "fileio.h" int write_avi_header(FILE* out, struct gwavi_header_t* avi_header) { long marker, t; if (write_chars_bin(out, "avih", 4) == -1) { (void)fprintf(stderr, "write_avi_header: write_chars_bin() " "failed\n"); return -1; } if ((marker = ftell(out)) == -1) { perror("write_avi_header (ftell)"); return -1; } if (write_int(out, 0) == -1) goto write_int_failed; if (write_int(out, avi_header->time_delay) == -1) goto write_int_failed; if (write_int(out, avi_header->data_rate) == -1) goto write_int_failed; if (write_int(out, avi_header->reserved) == -1) goto write_int_failed; /* dwFlags */ if (write_int(out, avi_header->flags) == -1) goto write_int_failed; /* dwTotalFrames */ if (write_int(out, avi_header->number_of_frames) == -1) goto write_int_failed; if (write_int(out, avi_header->initial_frames) == -1) goto write_int_failed; if (write_int(out, avi_header->data_streams) == -1) goto write_int_failed; if (write_int(out, avi_header->buffer_size) == -1) goto write_int_failed; if (write_int(out, avi_header->width) == -1) goto write_int_failed; if (write_int(out, avi_header->height) == -1) goto write_int_failed; if (write_int(out, avi_header->time_scale) == -1) goto write_int_failed; if (write_int(out, avi_header->playback_data_rate) == -1) goto write_int_failed; if (write_int(out, avi_header->starting_time) == -1) goto write_int_failed; if (write_int(out, avi_header->data_length) == -1) goto write_int_failed; if ((t = ftell(out)) == -1) { perror("write_avi_header (ftell)"); return -1; } if (fseek(out, marker, SEEK_SET) == -1) { perror("write_avi_header (fseek)"); return -1; } if (write_int(out, (unsigned int)(t - marker - 4)) == -1) goto write_int_failed; if (fseek(out, t, SEEK_SET) == -1) { perror("write_avi_header (fseek)"); return -1; } return 0; write_int_failed: (void)fprintf(stderr, "write_avi_header: write_int() failed\n"); return -1; } int write_stream_header(FILE* out, struct gwavi_stream_header_t* stream_header) { long marker, t; if (write_chars_bin(out, "strh", 4) == -1) goto write_chars_bin_failed; if ((marker = ftell(out)) == -1) { perror("write_stream_header (ftell)"); return -1; } if (write_int(out, 0) == -1) goto write_int_failed; if (write_chars_bin(out, stream_header->data_type, 4) == -1) goto write_chars_bin_failed; if (write_chars_bin(out, stream_header->codec, 4) == -1) goto write_chars_bin_failed; if (write_int(out, stream_header->flags) == -1) goto write_int_failed; if (write_int(out, stream_header->priority) == -1) goto write_int_failed; if (write_int(out, stream_header->initial_frames) == -1) goto write_int_failed; if (write_int(out, stream_header->time_scale) == -1) goto write_int_failed; if (write_int(out, stream_header->data_rate) == -1) goto write_int_failed; if (write_int(out, stream_header->start_time) == -1) goto write_int_failed; if (write_int(out, stream_header->data_length) == -1) goto write_int_failed; if (write_int(out, stream_header->buffer_size) == -1) goto write_int_failed; if (write_int(out, stream_header->video_quality) == -1) goto write_int_failed; if (write_int(out, stream_header->sample_size) == -1) goto write_int_failed; if (write_int(out, 0) == -1) goto write_int_failed; if (write_int(out, 0) == -1) goto write_int_failed; if ((t = ftell(out)) == -1) { perror("write_stream_header (ftell)"); return -1; } if (fseek(out, marker, SEEK_SET) == -1) { perror("write_stream_header (fseek)"); return -1; } write_int(out, (unsigned int)(t - marker - 4)); if (fseek(out, t, SEEK_SET) == -1) { perror("write_stream_header (fseek)"); return -1; } return 0; write_int_failed: (void)fprintf(stderr, "write_stream_header: write_int() failed\n"); return -1; write_chars_bin_failed: (void)fprintf(stderr, "write_stream_header: write_chars_bin() failed\n"); return -1; } int write_stream_format_v(FILE* out, struct gwavi_stream_format_v_t* stream_format_v) { long marker, t; unsigned int i; if (write_chars_bin(out, "strf", 4) == -1) { (void)fprintf(stderr, "write_stream_format_v: write_chars_bin()" " failed\n"); return -1; } if ((marker = ftell(out)) == -1) { perror("write_stream_format_v (ftell)"); return -1; } if (write_int(out, 0) == -1) goto write_int_failed; if (write_int(out, stream_format_v->header_size) == -1) goto write_int_failed; if (write_int(out, stream_format_v->width) == -1) goto write_int_failed; if (write_int(out, stream_format_v->height) == -1) goto write_int_failed; if (write_short(out, stream_format_v->num_planes) == -1) { (void)fprintf(stderr, "write_stream_format_v: write_short() " "failed\n"); return -1; } if (write_short(out, stream_format_v->bits_per_pixel) == -1) { (void)fprintf(stderr, "write_stream_format_v: write_short() " "failed\n"); return -1; } if (write_int(out, stream_format_v->compression_type) == -1) goto write_int_failed; if (write_int(out, stream_format_v->image_size) == -1) goto write_int_failed; if (write_int(out, stream_format_v->x_pels_per_meter) == -1) goto write_int_failed; if (write_int(out, stream_format_v->y_pels_per_meter) == -1) goto write_int_failed; if (write_int(out, stream_format_v->colors_used) == -1) goto write_int_failed; if (write_int(out, stream_format_v->colors_important) == -1) goto write_int_failed; if (stream_format_v->colors_used != 0) for (i = 0; i < stream_format_v->colors_used; i++) { if (fputc(stream_format_v->palette[i] & 255, out) == EOF) goto fputc_failed; if (fputc((stream_format_v->palette[i] >> 8) & 255, out) == EOF) goto fputc_failed; if (fputc((stream_format_v->palette[i] >> 16) & 255, out) == EOF) goto fputc_failed; if (fputc(0, out) == EOF) goto fputc_failed; } if ((t = ftell(out)) == -1) { perror("write_stream_format_v (ftell)"); return -1; } if (fseek(out, marker, SEEK_SET) == -1) { perror("write_stream_format_v (fseek)"); return -1; } if (write_int(out, (unsigned int)(t - marker - 4)) == -1) goto write_int_failed; if (fseek(out, t, SEEK_SET) == -1) { perror("write_stream_format_v (fseek)"); return -1; } return 0; write_int_failed: (void)fprintf(stderr, "write_stream_format_v: write_int() failed\n"); return -1; fputc_failed: (void)fprintf(stderr, "write_stream_format_v: fputc() failed\n"); return -1; } int write_stream_format_a(FILE* out, struct gwavi_stream_format_a_t* stream_format_a) { long marker, t; if (write_chars_bin(out, "strf", 4) == -1) { (void)fprintf(stderr, "write_stream_format_a: write_chars_bin()" " failed\n"); return -1; } if ((marker = ftell(out)) == -1) { perror("write_stream_format_a (ftell)"); return -1; } if (write_int(out, 0) == -1) goto write_int_failed; if (write_short(out, stream_format_a->format_type) == -1) goto write_short_failed; if (write_short(out, stream_format_a->channels) == -1) goto write_short_failed; if (write_int(out, stream_format_a->sample_rate) == -1) goto write_int_failed; if (write_int(out, stream_format_a->bytes_per_second) == -1) goto write_int_failed; if (write_short(out, stream_format_a->block_align) == -1) goto write_short_failed; if (write_short(out, stream_format_a->bits_per_sample) == -1) goto write_short_failed; if (write_short(out, stream_format_a->size) == -1) goto write_short_failed; if ((t = ftell(out)) == -1) { perror("write_stream_format_a (ftell)"); return -1; } if (fseek(out, marker, SEEK_SET) == -1) { perror("write_stream_format_a (fseek)"); return -1; } if (write_int(out, (unsigned int)(t - marker - 4)) == -1) goto write_int_failed; if (fseek(out, t, SEEK_SET) == -1) { perror("write_stream_format_a (fseek)"); return -1; } return 0; write_int_failed: (void)fprintf(stderr, "write_stream_format_a: write_int() failed\n"); return -1; write_short_failed: (void)fprintf(stderr, "write_stream_format_a: write_short() failed\n"); return -1; } int write_avi_header_chunk(struct gwavi_t* gwavi) { long marker, t; long sub_marker; FILE* out = gwavi->out; if (write_chars_bin(out, "LIST", 4) == -1) goto write_chars_bin_failed; if ((marker = ftell(out)) == -1) goto ftell_failed; if (write_int(out, 0) == -1) goto write_int_failed; if (write_chars_bin(out, "hdrl", 4) == -1) goto write_chars_bin_failed; if (write_avi_header(out, &gwavi->avi_header) == -1) { (void)fprintf(stderr, "write_avi_header_chunk: " "write_avi_header() failed\n"); return -1; } if (write_chars_bin(out, "LIST", 4) == -1) goto write_chars_bin_failed; if ((sub_marker = ftell(out)) == -1) goto ftell_failed; if (write_int(out, 0) == -1) goto write_int_failed; if (write_chars_bin(out, "strl", 4) == -1) goto write_chars_bin_failed; if (write_stream_header(out, &gwavi->stream_header_v) == -1) { (void)fprintf(stderr, "write_avi_header_chunk: " "write_stream_header failed\n"); return -1; } if (write_stream_format_v(out, &gwavi->stream_format_v) == -1) { (void)fprintf(stderr, "write_avi_header_chunk: " "write_stream_format_v failed\n"); return -1; } if ((t = ftell(out)) == -1) goto ftell_failed; if (fseek(out, sub_marker, SEEK_SET) == -1) goto fseek_failed; if (write_int(out, (unsigned int)(t - sub_marker - 4)) == -1) goto write_int_failed; if (fseek(out, t, SEEK_SET) == -1) goto fseek_failed; if (gwavi->avi_header.data_streams == 2) { if (write_chars_bin(out, "LIST", 4) == -1) goto write_chars_bin_failed; if ((sub_marker = ftell(out)) == -1) goto ftell_failed; if (write_int(out, 0) == -1) goto write_int_failed; if (write_chars_bin(out, "strl", 4) == -1) goto write_chars_bin_failed; if (write_stream_header(out, &gwavi->stream_header_a) == -1) { (void)fprintf(stderr, "write_avi_header_chunk: " "write_stream_header failed\n"); return -1; } if (write_stream_format_a(out, &gwavi->stream_format_a) == -1) { (void)fprintf(stderr, "write_avi_header_chunk: " "write_stream_format_a failed\n"); return -1; } if ((t = ftell(out)) == -1) goto ftell_failed; if (fseek(out, sub_marker, SEEK_SET) == -1) goto fseek_failed; if (write_int(out, (unsigned int)(t - sub_marker - 4)) == -1) goto write_int_failed; if (fseek(out, t, SEEK_SET) == -1) goto fseek_failed; } if ((t = ftell(out)) == -1) goto ftell_failed; if (fseek(out, marker, SEEK_SET) == -1) goto fseek_failed; if (write_int(out, (unsigned int)(t - marker - 4)) == -1) goto write_int_failed; if (fseek(out, t, SEEK_SET) == -1) goto fseek_failed; return 0; ftell_failed: perror("write_avi_header_chunk (ftell)"); return -1; fseek_failed: perror("write_avi_header_chunk (fseek)"); return -1; write_int_failed: (void)fprintf(stderr, "write_avi_header_chunk: write_int() failed\n"); return -1; write_chars_bin_failed: (void)fprintf(stderr, "write_avi_header_chunk: write_chars_bin() failed\n"); return -1; } int write_index(FILE* out, int count, unsigned int* offsets) { long marker, t; unsigned int offset = 4; if (offsets == 0) return -1; if (write_chars_bin(out, "idx1", 4) == -1) { (void)fprintf(stderr, "write_index: write_chars_bin) failed\n"); return -1; } if ((marker = ftell(out)) == -1) { perror("write_index (ftell)"); return -1; } if (write_int(out, 0) == -1) goto write_int_failed; for (t = 0; t < count; t++) { if ((offsets[t] & 0x80000000) == 0) write_chars(out, "00dc"); else { write_chars(out, "01wb"); offsets[t] &= 0x7fffffff; } if (write_int(out, 0x10) == -1) goto write_int_failed; if (write_int(out, offset) == -1) goto write_int_failed; if (write_int(out, offsets[t]) == -1) goto write_int_failed; offset = offset + offsets[t] + 8; } if ((t = ftell(out)) == -1) { perror("write_index (ftell)"); return -1; } if (fseek(out, marker, SEEK_SET) == -1) { perror("write_index (fseek)"); return -1; } if (write_int(out, (unsigned int)(t - marker - 4)) == -1) goto write_int_failed; if (fseek(out, t, SEEK_SET) == -1) { perror("write_index (fseek)"); return -1; } return 0; write_int_failed: (void)fprintf(stderr, "write_index: write_int() failed\n"); return -1; } /** * Return 0 if fourcc is valid, 1 non-valid or -1 in case of errors. */ int check_fourcc(const char* fourcc) { int ret = 0; /* list of fourccs from http://fourcc.org/codecs.php */ const char valid_fourcc[] = "3IV1 3IV2 8BPS" "AASC ABYR ADV1 ADVJ AEMI AFLC AFLI AJPG AMPG ANIM AP41 ASLC" "ASV1 ASV2 ASVX AUR2 AURA AVC1 AVRN" "BA81 BINK BLZ0 BT20 BTCV BW10 BYR1 BYR2" "CC12 CDVC CFCC CGDI CHAM CJPG CMYK CPLA CRAM CSCD CTRX CVID" "CWLT CXY1 CXY2 CYUV CYUY" "D261 D263 DAVC DCL1 DCL2 DCL3 DCL4 DCL5 DIV3 DIV4 DIV5 DIVX" "DM4V DMB1 DMB2 DMK2 DSVD DUCK DV25 DV50 DVAN DVCS DVE2 DVH1" "DVHD DVSD DVSL DVX1 DVX2 DVX3 DX50 DXGM DXTC DXTN" "EKQ0 ELK0 EM2V ES07 ESCP ETV1 ETV2 ETVC" "FFV1 FLJP FMP4 FMVC FPS1 FRWA FRWD FVF1" "GEOX GJPG GLZW GPEG GWLT" "H260 H261 H262 H263 H264 H265 H266 H267 H268 H269" "HDYC HFYU HMCR HMRR" "I263 ICLB IGOR IJPG ILVC ILVR IPDV IR21 IRAW ISME" "IV30 IV31 IV32 IV33 IV34 IV35 IV36 IV37 IV38 IV39 IV40 IV41" "IV41 IV43 IV44 IV45 IV46 IV47 IV48 IV49 IV50" "JBYR JPEG JPGL" "KMVC" "L261 L263 LBYR LCMW LCW2 LEAD LGRY LJ11 LJ22 LJ2K LJ44 LJPG" "LMP2 LMP4 LSVC LSVM LSVX LZO1" "M261 M263 M4CC M4S2 MC12 MCAM MJ2C MJPG MMES MP2A MP2T MP2V" "MP42 MP43 MP4A MP4S MP4T MP4V MPEG MPG4 MPGI MR16 MRCA MRLE" "MSVC MSZH" "MTX1 MTX2 MTX3 MTX4 MTX5 MTX6 MTX7 MTX8 MTX9" "MVI1 MVI2 MWV1" "NAVI NDSC NDSM NDSP NDSS NDXC NDXH NDXP NDXS NHVU NTN1 NTN2" "NVDS NVHS" "NVS0 NVS1 NVS2 NVS3 NVS4 NVS5" "NVT0 NVT1 NVT2 NVT3 NVT4 NVT5" "PDVC PGVV PHMO PIM1 PIM2 PIMJ PIXL PJPG PVEZ PVMM PVW2" "QPEG QPEQ" "RGBT RLE RLE4 RLE8 RMP4 RPZA RT21 RV20 RV30 RV40 S422 SAN3" "SDCC SEDG SFMC SMP4 SMSC SMSD SMSV SP40 SP44 SP54 SPIG SQZ2" "STVA STVB STVC STVX STVY SV10 SVQ1 SVQ3" "TLMS TLST TM20 TM2X TMIC TMOT TR20 TSCC TV10 TVJP TVMJ TY0N" "TY2C TY2N" "UCOD ULTI" "V210 V261 V655 VCR1 VCR2 VCR3 VCR4 VCR5 VCR6 VCR7 VCR8 VCR9" "VDCT VDOM VDTZ VGPX VIDS VIFP VIVO VIXL VLV1 VP30 VP31 VP40" "VP50 VP60 VP61 VP62 VP70 VP80 VQC1 VQC2 VQJC VSSV VUUU VX1K" "VX2K VXSP VYU9 VYUY" "WBVC WHAM WINX WJPG WMV1 WMV2 WMV3 WMVA WNV1 WVC1" "X263 X264 XLV0 XMPG XVID" "XWV0 XWV1 XWV2 XWV3 XWV4 XWV5 XWV6 XWV7 XWV8 XWV9" "XXAN" "Y16 Y411 Y41P Y444 Y8 YC12 YUV8 YUV9 YUVP YUY2 YUYV YV12 YV16" "YV92" "ZLIB ZMBV ZPEG ZYGO ZYYY"; if (!fourcc) { (void)fputs("fourcc cannot be NULL", stderr); return -1; } if (strchr(fourcc, ' ') || !strstr(valid_fourcc, fourcc)) ret = 1; return ret; } avogadrolibs-1.100.0/thirdparty/libgwavi/avi-utils.h000066400000000000000000000046231474375334400224340ustar00rootroot00000000000000/* * Copyright (c) 2008-2011, Michael Kohn * Copyright (c) 2013, Robin Hahling * All rights reserved. * * Redistribution and use in source and binary forms, with or without * modification, are permitted provided that the following conditions are met: * * * Redistributions of source code must retain the above copyright notice, this * list of conditions and the following disclaimer. * * * Redistributions in binary form must reproduce the above copyright notice, * this list of conditions and the following disclaimer in the documentation * and/or other materials provided with the distribution. * * * Neither the name of the author nor the names of its contributors may be * used to endorse or promote products derived from this software without * specific prior written permission. * * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" * AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE * IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE * ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE * LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR * CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF * SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS * INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN * CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) * ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE * POSSIBILITY OF SUCH DAMAGE. */ #ifndef H_GWAVI_UTILS #define H_GWAVI_UTILS #include "gwavi.h" #include "gwavi_private.h" /* * Utility functions for gwavi library. */ #ifdef __cplusplus extern "C" { #endif /* Functions declaration */ int write_avi_header(FILE* out, struct gwavi_header_t* avi_header); int write_stream_header(FILE* out, struct gwavi_stream_header_t* stream_header); int write_stream_format_v(FILE* out, struct gwavi_stream_format_v_t* stream_format_v); int write_stream_format_a(FILE* out, struct gwavi_stream_format_a_t* stream_format_a); int write_avi_header_chunk(struct gwavi_t* gwavi); int write_index(FILE* out, int count, unsigned int* offsets); int check_fourcc(const char* fourcc); #ifdef __cplusplus } #endif #endif /* ndef GWAVI_UTILS_H */ avogadrolibs-1.100.0/thirdparty/libgwavi/fileio.c000066400000000000000000000045731474375334400217650ustar00rootroot00000000000000/* * Copyright (c) 2008-2011, Michael Kohn * Copyright (c) 2013, Robin Hahling * All rights reserved. * * Redistribution and use in source and binary forms, with or without * modification, are permitted provided that the following conditions are met: * * * Redistributions of source code must retain the above copyright notice, this * list of conditions and the following disclaimer. * * * Redistributions in binary form must reproduce the above copyright notice, * this list of conditions and the following disclaimer in the documentation * and/or other materials provided with the distribution. * * * Neither the name of the author nor the names of its contributors may be * used to endorse or promote products derived from this software without * specific prior written permission. * * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" * AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE * IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE * ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE * LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR * CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF * SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS * INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN * CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) * ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE * POSSIBILITY OF SUCH DAMAGE. */ /* * Usefull IO functions. */ #include int write_int(FILE* out, unsigned int n) { if (fputc((n & 255), out) == EOF) return -1; if (fputc(((n >> 8) & 255), out) == EOF) return -1; if (fputc(((n >> 16) & 255), out) == EOF) return -1; if (fputc(((n >> 24) & 255), out) == EOF) return -1; return 0; } int write_short(FILE* out, unsigned int n) { if (fputc((n & 255), out) == EOF) return -1; if (fputc(((n >> 8) & 255), out) == EOF) return -1; return 0; } int write_chars(FILE* out, char* s) { int t = 0; while (s[t] != 0 && t < 255) if (fputc(s[t++], out) == EOF) return -1; return 0; } int write_chars_bin(FILE* out, char* s, int count) { int t; for (t = 0; t < count; t++) if (fputc(s[t], out) == EOF) return -1; return 0; } avogadrolibs-1.100.0/thirdparty/libgwavi/fileio.h000066400000000000000000000037021474375334400217630ustar00rootroot00000000000000/* * Copyright (c) 2008-2011, Michael Kohn * Copyright (c) 2013, Robin Hahling * All rights reserved. * * Redistribution and use in source and binary forms, with or without * modification, are permitted provided that the following conditions are met: * * * Redistributions of source code must retain the above copyright notice, this * list of conditions and the following disclaimer. * * * Redistributions in binary form must reproduce the above copyright notice, * this list of conditions and the following disclaimer in the documentation * and/or other materials provided with the distribution. * * * Neither the name of the author nor the names of its contributors may be * used to endorse or promote products derived from this software without * specific prior written permission. * * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" * AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE * IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE * ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE * LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR * CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF * SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS * INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN * CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) * ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE * POSSIBILITY OF SUCH DAMAGE. */ /* * Header file for fileio.c */ #ifndef H_FILEIO #define H_FILEIO #ifdef __cplusplus extern "C" { #endif /* Function prototypes */ int write_int(FILE* out, unsigned int n); int write_short(FILE* out, unsigned int n); int write_chars(FILE* out, char* s); int write_chars_bin(FILE* out, char* s, int count); #ifdef __cplusplus } #endif #endif /* ndef H_FILEIO */ avogadrolibs-1.100.0/thirdparty/libgwavi/gwavi.c000066400000000000000000000376601474375334400216360ustar00rootroot00000000000000/* * Copyright (c) 2008-2011, Michael Kohn * Copyright (c) 2013, Robin Hahling * All rights reserved. * * Redistribution and use in source and binary forms, with or without * modification, are permitted provided that the following conditions are met: * * * Redistributions of source code must retain the above copyright notice, this * list of conditions and the following disclaimer. * * * Redistributions in binary form must reproduce the above copyright notice, * this list of conditions and the following disclaimer in the documentation * and/or other materials provided with the distribution. * * * Neither the name of the author nor the names of its contributors may be * used to endorse or promote products derived from this software without * specific prior written permission. * * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" * AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE * IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE * ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE * LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR * CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF * SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS * INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN * CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) * ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE * POSSIBILITY OF SUCH DAMAGE. */ /* * This is the file containing gwavi library functions. */ #include #include #include #include "avi-utils.h" #include "fileio.h" #include "gwavi.h" #include "gwavi_private.h" /** * This is the first function you should call when using gwavi library. * It allocates memory for a gwavi_t structure and returns it and takes care of * initializing the AVI header with the provided information. * * When you're done creating your AVI file, you should call gwavi_close() * function to free memory allocated for the gwavi_t structure and properly * close the output file. * * @param filename This is the name of the AVI file which will be generated by * this library. * @param width Width of a frame. * @param height Height of a frame. * @param fourcc FourCC representing the codec of the video encoded stream. a * FourCC is a sequence of four chars used to uniquely identify data formats. * For more information, you can visit www.fourcc.org. * @param fps Number of frames per second of your video. It needs to be > 0. * @param audio This parameter is optional. It is used for the audio track. If * you do not want to add an audio track to your AVI file, simply pass NULL for * this argument. * * @return Structure containing required information in order to create the AVI * file. If an error occurred, NULL is returned. */ struct gwavi_t* gwavi_open(const char* filename, unsigned int width, unsigned int height, const char* fourcc, unsigned int fps, struct gwavi_audio_t* audio) { struct gwavi_t* gwavi; FILE* out; if (check_fourcc(fourcc) != 0) (void)fprintf(stderr, "WARNING: given fourcc does not seem to " "be valid: %s\n", fourcc); if (fps < 1) return NULL; if ((out = fopen(filename, "wb+")) == NULL) { perror("gwavi_open: failed to open file for writing"); return NULL; } if ((gwavi = malloc(sizeof(struct gwavi_t))) == NULL) { (void)fprintf(stderr, "gwavi_open: could not allocate memoryi " "for gwavi structure\n"); return NULL; } memset(gwavi, 0, sizeof(struct gwavi_t)); gwavi->out = out; /* set avi header */ gwavi->avi_header.time_delay = 1000000 / fps; gwavi->avi_header.data_rate = width * height * 3; gwavi->avi_header.flags = 0x10; if (audio) gwavi->avi_header.data_streams = 2; else gwavi->avi_header.data_streams = 1; /* this field gets updated when calling gwavi_close() */ gwavi->avi_header.number_of_frames = 0; gwavi->avi_header.width = width; gwavi->avi_header.height = height; gwavi->avi_header.buffer_size = (width * height * 3); /* set stream header */ (void)strncpy(gwavi->stream_header_v.data_type, "vids", 5); (void)memcpy(gwavi->stream_header_v.codec, fourcc, 4); gwavi->stream_header_v.time_scale = 1; gwavi->stream_header_v.data_rate = fps; gwavi->stream_header_v.buffer_size = (width * height * 3); gwavi->stream_header_v.data_length = 0; /* set stream format */ gwavi->stream_format_v.header_size = 40; gwavi->stream_format_v.width = width; gwavi->stream_format_v.height = height; gwavi->stream_format_v.num_planes = 1; gwavi->stream_format_v.bits_per_pixel = 24; gwavi->stream_format_v.compression_type = ((unsigned int)fourcc[3] << 24) + ((unsigned int)fourcc[2] << 16) + ((unsigned int)fourcc[1] << 8) + ((unsigned int)fourcc[0]); gwavi->stream_format_v.image_size = width * height * 3; gwavi->stream_format_v.colors_used = 0; gwavi->stream_format_v.colors_important = 0; gwavi->stream_format_v.palette = 0; gwavi->stream_format_v.palette_count = 0; if (audio) { /* set stream header */ memcpy(gwavi->stream_header_a.data_type, "auds", 4); gwavi->stream_header_a.codec[0] = 1; gwavi->stream_header_a.codec[1] = 0; gwavi->stream_header_a.codec[2] = 0; gwavi->stream_header_a.codec[3] = 0; gwavi->stream_header_a.time_scale = 1; gwavi->stream_header_a.data_rate = audio->samples_per_second; gwavi->stream_header_a.buffer_size = audio->channels * (audio->bits / 8) * audio->samples_per_second; /* when set to -1, drivers use default quality value */ gwavi->stream_header_a.audio_quality = -1; gwavi->stream_header_a.sample_size = (audio->bits / 8) * audio->channels; /* set stream format */ gwavi->stream_format_a.format_type = 1; gwavi->stream_format_a.channels = audio->channels; gwavi->stream_format_a.sample_rate = audio->samples_per_second; gwavi->stream_format_a.bytes_per_second = audio->channels * (audio->bits / 8) * audio->samples_per_second; gwavi->stream_format_a.block_align = audio->channels * (audio->bits / 8); gwavi->stream_format_a.bits_per_sample = audio->bits; gwavi->stream_format_a.size = 0; } if (write_chars_bin(out, "RIFF", 4) == -1) goto write_chars_bin_failed; if (write_int(out, 0) == -1) { (void)fprintf(stderr, "gwavi_info: write_int() failed\n"); return NULL; } if (write_chars_bin(out, "AVI ", 4) == -1) goto write_chars_bin_failed; if (write_avi_header_chunk(gwavi) == -1) { (void)fprintf(stderr, "gwavi_info: write_avi_header_chunk " "failed\n"); return NULL; } if (write_chars_bin(out, "LIST", 4) == -1) goto write_chars_bin_failed; if ((gwavi->marker = ftell(out)) == -1) { perror("gwavi_info (ftell)"); return NULL; } if (write_int(out, 0) == -1) { (void)fprintf(stderr, "gwavi_info: write_int() failed\n"); return NULL; } if (write_chars_bin(out, "movi", 4) == -1) goto write_chars_bin_failed; gwavi->offsets_len = 1024; if ((gwavi->offsets = malloc((size_t)gwavi->offsets_len * sizeof(unsigned int))) == NULL) { (void)fprintf(stderr, "gwavi_info: could not allocate memory " "for gwavi offsets table\n"); return NULL; } gwavi->offsets_ptr = 0; return gwavi; write_chars_bin_failed: (void)fprintf(stderr, "gwavi_open: write_chars_bin() failed\n"); return NULL; } /** * This function allows you to add an encoded video frame to the AVI file. * * @param gwavi Main gwavi structure initialized with gwavi_open()- * @param buffer Video buffer size. * @param len Video buffer length. * * @return 0 on success, -1 on error. */ int gwavi_add_frame(struct gwavi_t* gwavi, const unsigned char* buffer, size_t len) { size_t maxi_pad; /* if your frame is raggin, give it some paddin' */ size_t t; if (!gwavi || !buffer) { (void)fputs("gwavi and/or buffer argument cannot be NULL", stderr); return -1; } if (len < 256) (void)fprintf(stderr, "WARNING: specified buffer len seems " "rather small: %d. Are you sure about this?\n", (int)len); gwavi->offset_count++; gwavi->stream_header_v.data_length++; maxi_pad = len % 4; if (maxi_pad > 0) maxi_pad = 4 - maxi_pad; if (gwavi->offset_count >= gwavi->offsets_len) { gwavi->offsets_len += 1024; gwavi->offsets = realloc(gwavi->offsets, (size_t)gwavi->offsets_len * sizeof(unsigned int)); } gwavi->offsets[gwavi->offsets_ptr++] = (unsigned int)(len + maxi_pad); if (write_chars_bin(gwavi->out, "00dc", 4) == -1) { (void)fprintf(stderr, "gwavi_add_frame: write_chars_bin() " "failed\n"); return -1; } if (write_int(gwavi->out, (unsigned int)(len + maxi_pad)) == -1) { (void)fprintf(stderr, "gwavi_add_frame: write_int() failed\n"); return -1; } if ((t = fwrite(buffer, 1, len, gwavi->out)) != len) { (void)fprintf(stderr, "gwavi_add_frame: fwrite() failed\n"); return -1; } for (t = 0; t < maxi_pad; t++) if (fputc(0, gwavi->out) == EOF) { (void)fprintf(stderr, "gwavi_add_frame: fputc() failed\n"); return -1; } return 0; } /** * This function allows you to add the audio track to your AVI file. * * @param gwavi Main gwavi structure initialized with gwavi_open()- * @param buffer Audio buffer size. * @param len Audio buffer length. * * @return 0 on success, -1 on error. */ int gwavi_add_audio(struct gwavi_t* gwavi, const unsigned char* buffer, size_t len) { size_t maxi_pad; /* in case audio bleeds over the 4 byte boundary */ size_t t; if (!gwavi || !buffer) { (void)fputs("gwavi and/or buffer argument cannot be NULL", stderr); return -1; } gwavi->offset_count++; maxi_pad = len % 4; if (maxi_pad > 0) maxi_pad = 4 - maxi_pad; if (gwavi->offset_count >= gwavi->offsets_len) { gwavi->offsets_len += 1024; gwavi->offsets = realloc(gwavi->offsets, (size_t)gwavi->offsets_len * sizeof(unsigned int)); } gwavi->offsets[gwavi->offsets_ptr++] = (unsigned int)((len + maxi_pad) | 0x80000000); if (write_chars_bin(gwavi->out, "01wb", 4) == -1) { (void)fprintf(stderr, "gwavi_add_audio: write_chars_bin() " "failed\n"); return -1; } if (write_int(gwavi->out, (unsigned int)(len + maxi_pad)) == -1) { (void)fprintf(stderr, "gwavi_add_audio: write_int() failed\n"); return -1; } if ((t = fwrite(buffer, 1, len, gwavi->out)) != len) { (void)fprintf(stderr, "gwavi_add_audio: fwrite() failed\n"); return -1; } for (t = 0; t < maxi_pad; t++) if (fputc(0, gwavi->out) == EOF) { (void)fprintf(stderr, "gwavi_add_audio: fputc() failed\n"); return -1; } gwavi->stream_header_a.data_length += (unsigned int)(len + maxi_pad); return 0; } /** * This function should be called when the program is done adding video and/or * audio frames to the AVI file. It frees memory allocated for gwavi_open() for * the main gwavi_t structure. It also properly closes the output file. * * @param gwavi Main gwavi structure initialized with gwavi_open()- * * @return 0 on success, -1 on error. */ int gwavi_close(struct gwavi_t* gwavi) { long t; if (!gwavi) { (void)fputs("gwavi argument cannot be NULL", stderr); return -1; } if ((t = ftell(gwavi->out)) == -1) goto ftell_failed; if (fseek(gwavi->out, gwavi->marker, SEEK_SET) == -1) goto fseek_failed; if (write_int(gwavi->out, (unsigned int)(t - gwavi->marker - 4)) == -1) { (void)fprintf(stderr, "gwavi_close: write_int() failed\n"); return -1; } if (fseek(gwavi->out, t, SEEK_SET) == -1) goto fseek_failed; if (write_index(gwavi->out, gwavi->offset_count, gwavi->offsets) == -1) { (void)fprintf(stderr, "gwavi_close: write_index() failed\n"); return -1; } free(gwavi->offsets); /* reset some avi header fields */ gwavi->avi_header.number_of_frames = gwavi->stream_header_v.data_length; if ((t = ftell(gwavi->out)) == -1) goto ftell_failed; if (fseek(gwavi->out, 12, SEEK_SET) == -1) goto fseek_failed; if (write_avi_header_chunk(gwavi) == -1) { (void)fprintf(stderr, "gwavi_close: write_avi_header_chunk() " "failed\n"); return -1; } if (fseek(gwavi->out, t, SEEK_SET) == -1) goto fseek_failed; if ((t = ftell(gwavi->out)) == -1) goto ftell_failed; if (fseek(gwavi->out, 4, SEEK_SET) == -1) goto fseek_failed; if (write_int(gwavi->out, (unsigned int)(t - 8)) == -1) { (void)fprintf(stderr, "gwavi_close: write_int() failed\n"); return -1; } if (fseek(gwavi->out, t, SEEK_SET) == -1) goto fseek_failed; if (gwavi->stream_format_v.palette != 0) free(gwavi->stream_format_v.palette); if (fclose(gwavi->out) == EOF) { perror("gwavi_close (fclose)"); return -1; } free(gwavi); return 0; ftell_failed: perror("gwavi_close: (ftell)"); return -1; fseek_failed: perror("gwavi_close (fseek)"); return -1; } /** * This function allows you to reset the framerate. In a standard use case, you * should not need to call it. However, if you need to, you can call it to reset * the framerate after you are done adding frames to your AVI file and before * you call gwavi_close(). * * @param gwavi Main gwavi structure initialized with gwavi_open()- * @param fps Number of frames per second of your video. * * @return 0 on success, -1 on error. */ int gwavi_set_framerate(struct gwavi_t* gwavi, unsigned int fps) { if (!gwavi) { (void)fputs("gwavi argument cannot be NULL", stderr); return -1; } gwavi->stream_header_v.data_rate = fps; gwavi->avi_header.time_delay = (10000000 / fps); return 0; } /** * This function allows you to reset the video codec. In a standard use case, * you should not need to call it. However, if you need to, you can call it to * reset the video codec after you are done adding frames to your AVI file and * before you call gwavi_close(). * * @param gwavi Main gwavi structure initialized with gwavi_open()- * @param fourcc FourCC representing the codec of the video encoded stream. a * * @return 0 on success, -1 on error. */ int gwavi_set_codec(struct gwavi_t* gwavi, char* fourcc) { if (!gwavi) { (void)fputs("gwavi argument cannot be NULL", stderr); return -1; } if (check_fourcc(fourcc) != 0) (void)fprintf(stderr, "WARNING: given fourcc does not seem to " "be valid: %s\n", fourcc); memcpy(gwavi->stream_header_v.codec, fourcc, 4); gwavi->stream_format_v.compression_type = ((unsigned int)fourcc[3] << 24) + ((unsigned int)fourcc[2] << 16) + ((unsigned int)fourcc[1] << 8) + ((unsigned int)fourcc[0]); return 0; } /** * This function allows you to reset the video size. In a standard use case, you * should not need to call it. However, if you need to, you can call it to reset * the video height and width set in the AVI file after you are done adding * frames to your AVI file and before you call gwavi_close(). * * @param gwavi Main gwavi structure initialized with gwavi_open()- * @param width Width of a frame. * @param height Height of a frame. * * @return 0 on success, -1 on error. */ int gwavi_set_size(struct gwavi_t* gwavi, unsigned int width, unsigned int height) { unsigned int size = (width * height * 3); if (!gwavi) { (void)fputs("gwavi argument cannot be NULL", stderr); return -1; } gwavi->avi_header.data_rate = size; gwavi->avi_header.width = width; gwavi->avi_header.height = height; gwavi->avi_header.buffer_size = size; gwavi->stream_header_v.buffer_size = size; gwavi->stream_format_v.width = width; gwavi->stream_format_v.height = height; gwavi->stream_format_v.image_size = size; return 0; } avogadrolibs-1.100.0/thirdparty/libgwavi/gwavi.h000066400000000000000000000054101474375334400216270ustar00rootroot00000000000000/* * Copyright (c) 2008-2011, Michael Kohn * Copyright (c) 2013, Robin Hahling * All rights reserved. * * Redistribution and use in source and binary forms, with or without * modification, are permitted provided that the following conditions are met: * * * Redistributions of source code must retain the above copyright notice, this * list of conditions and the following disclaimer. * * * Redistributions in binary form must reproduce the above copyright notice, * this list of conditions and the following disclaimer in the documentation * and/or other materials provided with the distribution. * * * Neither the name of the author nor the names of its contributors may be * used to endorse or promote products derived from this software without * specific prior written permission. * * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" * AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE * IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE * ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE * LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR * CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF * SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS * INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN * CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) * ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE * POSSIBILITY OF SUCH DAMAGE. */ #ifndef H_GWAVI #define H_GWAVI #ifdef __cplusplus extern "C" { #endif /* structures */ struct gwavi_t; struct gwavi_audio_t; /* Main library functions */ struct gwavi_t* gwavi_open(const char* filename, unsigned int width, unsigned int height, const char* fourcc, unsigned int fps, struct gwavi_audio_t* audio); int gwavi_add_frame(struct gwavi_t* gwavi, const unsigned char* buffer, size_t len); int gwavi_add_audio(struct gwavi_t* gwavi, const unsigned char* buffer, size_t len); int gwavi_close(struct gwavi_t* gwavi); /* * If needed, these functions can be called before closing the file to * change the framerate, codec, size. * Note: AVI can only have a single frame rate, codec, size for the whole file * so this affects anything recorded before these functions are called. */ int gwavi_set_framerate(struct gwavi_t* gwavi, unsigned int fps); int gwavi_set_codec(struct gwavi_t* gwavi, char* fourcc); int gwavi_set_size(struct gwavi_t* gwavi, unsigned int width, unsigned int height); #ifdef __cplusplus } #endif #endif /* ndef H_GWAVI */ avogadrolibs-1.100.0/thirdparty/libgwavi/gwavi_private.h000066400000000000000000000055231474375334400233660ustar00rootroot00000000000000#ifndef GWAVI_PRIVATE_H #define GWAVI_PRIVATE_H /* * gwavi_private.h * * gwavi declarations that shall remain private :-) */ #include #ifdef __cplusplus extern "C" { #endif /* structures */ struct gwavi_header_t { unsigned int time_delay; /* dwMicroSecPerFrame */ unsigned int data_rate; /* dwMaxBytesPerSec */ unsigned int reserved; unsigned int flags; /* dwFlags */ unsigned int number_of_frames; /* dwTotalFrames */ unsigned int initial_frames; /* dwInitialFrames */ unsigned int data_streams; /* dwStreams */ unsigned int buffer_size; /* dwSuggestedBufferSize */ unsigned int width; /* dwWidth */ unsigned int height; /* dwHeight */ unsigned int time_scale; unsigned int playback_data_rate; unsigned int starting_time; unsigned int data_length; }; struct gwavi_stream_header_t { char data_type[5]; /* fccType */ char codec[5]; /* fccHandler */ unsigned int flags; /* dwFlags */ unsigned int priority; unsigned int initial_frames; /* dwInitialFrames */ unsigned int time_scale; /* dwScale */ unsigned int data_rate; /* dwRate */ unsigned int start_time; /* dwStart */ unsigned int data_length; /* dwLength */ unsigned int buffer_size; /* dwSuggestedBufferSize */ unsigned int video_quality; /* dwQuality */ /** * Value between 0-10000. If set to -1, drivers use default quality * value. */ int audio_quality; unsigned int sample_size; /* dwSampleSize */ }; struct gwavi_stream_format_v_t { unsigned int header_size; unsigned int width; unsigned int height; unsigned short int num_planes; unsigned short int bits_per_pixel; unsigned int compression_type; unsigned int image_size; unsigned int x_pels_per_meter; unsigned int y_pels_per_meter; unsigned int colors_used; unsigned int colors_important; unsigned int* palette; unsigned int palette_count; }; struct gwavi_stream_format_a_t { unsigned short format_type; unsigned int channels; unsigned int sample_rate; unsigned int bytes_per_second; unsigned int block_align; unsigned int bits_per_sample; unsigned short size; }; struct gwavi_t { FILE* out; struct gwavi_header_t avi_header; struct gwavi_stream_header_t stream_header_v; struct gwavi_stream_format_v_t stream_format_v; struct gwavi_stream_header_t stream_header_a; struct gwavi_stream_format_a_t stream_format_a; long marker; int offsets_ptr; int offsets_len; long offsets_start; unsigned int* offsets; int offset_count; }; struct gwavi_audio_t { unsigned int channels; unsigned int bits; unsigned int samples_per_second; }; #ifdef __cplusplus } #endif #endif /* ndef GWAVI_PRIVATE_H */ avogadrolibs-1.100.0/thirdparty/nlohmann/000077500000000000000000000000001474375334400203475ustar00rootroot00000000000000avogadrolibs-1.100.0/thirdparty/nlohmann/adl_serializer.hpp000066400000000000000000000027541474375334400240610ustar00rootroot00000000000000#pragma once #include #include #include namespace nlohmann { template struct adl_serializer { /*! @brief convert a JSON value to any value type This function is usually called by the `get()` function of the @ref basic_json class (either explicit or via conversion operators). @param[in] j JSON value to read from @param[in,out] val value to write to */ template static auto from_json(BasicJsonType&& j, ValueType& val) noexcept( noexcept(::nlohmann::from_json(std::forward(j), val))) -> decltype( ::nlohmann::from_json(std::forward(j), val), void() ) { ::nlohmann::from_json(std::forward(j), val); } /*! @brief convert any value type to a JSON value This function is usually called by the constructors of the @ref basic_json class. @param[in,out] j JSON value to write to @param[in] val value to read from */ template static auto to_json(BasicJsonType& j, ValueType&& val) noexcept( noexcept(::nlohmann::to_json(j, std::forward(val)))) -> decltype(::nlohmann::to_json(j, std::forward(val)), void()) { ::nlohmann::to_json(j, std::forward(val)); } }; } avogadrolibs-1.100.0/thirdparty/nlohmann/detail/000077500000000000000000000000001474375334400216115ustar00rootroot00000000000000avogadrolibs-1.100.0/thirdparty/nlohmann/detail/conversions/000077500000000000000000000000001474375334400241615ustar00rootroot00000000000000avogadrolibs-1.100.0/thirdparty/nlohmann/detail/conversions/from_json.hpp000066400000000000000000000322161474375334400266720ustar00rootroot00000000000000#pragma once #include // transform #include // array #include // and, not #include // forward_list #include // inserter, front_inserter, end #include // map #include // string #include // tuple, make_tuple #include // is_arithmetic, is_same, is_enum, underlying_type, is_convertible #include // unordered_map #include // pair, declval #include // valarray #include #include #include #include #include namespace nlohmann { namespace detail { template void from_json(const BasicJsonType& j, typename std::nullptr_t& n) { if (JSON_UNLIKELY(not j.is_null())) { JSON_THROW(type_error::create(302, "type must be null, but is " + std::string(j.type_name()))); } n = nullptr; } // overloads for basic_json template parameters template::value and not std::is_same::value, int> = 0> void get_arithmetic_value(const BasicJsonType& j, ArithmeticType& val) { switch (static_cast(j)) { case value_t::number_unsigned: { val = static_cast(*j.template get_ptr()); break; } case value_t::number_integer: { val = static_cast(*j.template get_ptr()); break; } case value_t::number_float: { val = static_cast(*j.template get_ptr()); break; } default: JSON_THROW(type_error::create(302, "type must be number, but is " + std::string(j.type_name()))); } } template void from_json(const BasicJsonType& j, typename BasicJsonType::boolean_t& b) { if (JSON_UNLIKELY(not j.is_boolean())) { JSON_THROW(type_error::create(302, "type must be boolean, but is " + std::string(j.type_name()))); } b = *j.template get_ptr(); } template void from_json(const BasicJsonType& j, typename BasicJsonType::string_t& s) { if (JSON_UNLIKELY(not j.is_string())) { JSON_THROW(type_error::create(302, "type must be string, but is " + std::string(j.type_name()))); } s = *j.template get_ptr(); } template < typename BasicJsonType, typename CompatibleStringType, enable_if_t < is_compatible_string_type::value and not std::is_same::value, int > = 0 > void from_json(const BasicJsonType& j, CompatibleStringType& s) { if (JSON_UNLIKELY(not j.is_string())) { JSON_THROW(type_error::create(302, "type must be string, but is " + std::string(j.type_name()))); } s = *j.template get_ptr(); } template void from_json(const BasicJsonType& j, typename BasicJsonType::number_float_t& val) { get_arithmetic_value(j, val); } template void from_json(const BasicJsonType& j, typename BasicJsonType::number_unsigned_t& val) { get_arithmetic_value(j, val); } template void from_json(const BasicJsonType& j, typename BasicJsonType::number_integer_t& val) { get_arithmetic_value(j, val); } template::value, int> = 0> void from_json(const BasicJsonType& j, EnumType& e) { typename std::underlying_type::type val; get_arithmetic_value(j, val); e = static_cast(val); } // forward_list doesn't have an insert method template::value, int> = 0> void from_json(const BasicJsonType& j, std::forward_list& l) { if (JSON_UNLIKELY(not j.is_array())) { JSON_THROW(type_error::create(302, "type must be array, but is " + std::string(j.type_name()))); } std::transform(j.rbegin(), j.rend(), std::front_inserter(l), [](const BasicJsonType & i) { return i.template get(); }); } // valarray doesn't have an insert method template::value, int> = 0> void from_json(const BasicJsonType& j, std::valarray& l) { if (JSON_UNLIKELY(not j.is_array())) { JSON_THROW(type_error::create(302, "type must be array, but is " + std::string(j.type_name()))); } l.resize(j.size()); std::copy(j.m_value.array->begin(), j.m_value.array->end(), std::begin(l)); } template void from_json_array_impl(const BasicJsonType& j, typename BasicJsonType::array_t& arr, priority_tag<3> /*unused*/) { arr = *j.template get_ptr(); } template auto from_json_array_impl(const BasicJsonType& j, std::array& arr, priority_tag<2> /*unused*/) -> decltype(j.template get(), void()) { for (std::size_t i = 0; i < N; ++i) { arr[i] = j.at(i).template get(); } } template auto from_json_array_impl(const BasicJsonType& j, CompatibleArrayType& arr, priority_tag<1> /*unused*/) -> decltype( arr.reserve(std::declval()), j.template get(), void()) { using std::end; arr.reserve(j.size()); std::transform(j.begin(), j.end(), std::inserter(arr, end(arr)), [](const BasicJsonType & i) { // get() returns *this, this won't call a from_json // method when value_type is BasicJsonType return i.template get(); }); } template void from_json_array_impl(const BasicJsonType& j, CompatibleArrayType& arr, priority_tag<0> /*unused*/) { using std::end; std::transform( j.begin(), j.end(), std::inserter(arr, end(arr)), [](const BasicJsonType & i) { // get() returns *this, this won't call a from_json // method when value_type is BasicJsonType return i.template get(); }); } template ::value and not is_compatible_object_type::value and not is_compatible_string_type::value and not is_basic_json::value, int > = 0 > auto from_json(const BasicJsonType& j, CompatibleArrayType& arr) -> decltype(from_json_array_impl(j, arr, priority_tag<3> {}), j.template get(), void()) { if (JSON_UNLIKELY(not j.is_array())) { JSON_THROW(type_error::create(302, "type must be array, but is " + std::string(j.type_name()))); } from_json_array_impl(j, arr, priority_tag<3> {}); } template::value, int> = 0> void from_json(const BasicJsonType& j, CompatibleObjectType& obj) { if (JSON_UNLIKELY(not j.is_object())) { JSON_THROW(type_error::create(302, "type must be object, but is " + std::string(j.type_name()))); } auto inner_object = j.template get_ptr(); using value_type = typename CompatibleObjectType::value_type; std::transform( inner_object->begin(), inner_object->end(), std::inserter(obj, obj.begin()), [](typename BasicJsonType::object_t::value_type const & p) { return value_type(p.first, p.second.template get()); }); } // overload for arithmetic types, not chosen for basic_json template arguments // (BooleanType, etc..); note: Is it really necessary to provide explicit // overloads for boolean_t etc. in case of a custom BooleanType which is not // an arithmetic type? template::value and not std::is_same::value and not std::is_same::value and not std::is_same::value and not std::is_same::value, int> = 0> void from_json(const BasicJsonType& j, ArithmeticType& val) { switch (static_cast(j)) { case value_t::number_unsigned: { val = static_cast(*j.template get_ptr()); break; } case value_t::number_integer: { val = static_cast(*j.template get_ptr()); break; } case value_t::number_float: { val = static_cast(*j.template get_ptr()); break; } case value_t::boolean: { val = static_cast(*j.template get_ptr()); break; } default: JSON_THROW(type_error::create(302, "type must be number, but is " + std::string(j.type_name()))); } } template void from_json(const BasicJsonType& j, std::pair& p) { p = {j.at(0).template get(), j.at(1).template get()}; } template void from_json_tuple_impl(const BasicJsonType& j, Tuple& t, index_sequence) { t = std::make_tuple(j.at(Idx).template get::type>()...); } template void from_json(const BasicJsonType& j, std::tuple& t) { from_json_tuple_impl(j, t, index_sequence_for {}); } template ::value>> void from_json(const BasicJsonType& j, std::map& m) { if (JSON_UNLIKELY(not j.is_array())) { JSON_THROW(type_error::create(302, "type must be array, but is " + std::string(j.type_name()))); } for (const auto& p : j) { if (JSON_UNLIKELY(not p.is_array())) { JSON_THROW(type_error::create(302, "type must be array, but is " + std::string(p.type_name()))); } m.emplace(p.at(0).template get(), p.at(1).template get()); } } template ::value>> void from_json(const BasicJsonType& j, std::unordered_map& m) { if (JSON_UNLIKELY(not j.is_array())) { JSON_THROW(type_error::create(302, "type must be array, but is " + std::string(j.type_name()))); } for (const auto& p : j) { if (JSON_UNLIKELY(not p.is_array())) { JSON_THROW(type_error::create(302, "type must be array, but is " + std::string(p.type_name()))); } m.emplace(p.at(0).template get(), p.at(1).template get()); } } struct from_json_fn { template auto operator()(const BasicJsonType& j, T& val) const noexcept(noexcept(from_json(j, val))) -> decltype(from_json(j, val), void()) { return from_json(j, val); } }; } /// namespace to hold default `from_json` function /// to see why this is required: /// http://www.open-std.org/jtc1/sc22/wg21/docs/papers/2015/n4381.html namespace { constexpr const auto& from_json = detail::static_const::value; } } avogadrolibs-1.100.0/thirdparty/nlohmann/detail/conversions/to_chars.hpp000066400000000000000000001076761474375334400265150ustar00rootroot00000000000000#pragma once #include // assert #include // or, and, not #include // signbit, isfinite #include // intN_t, uintN_t #include // memcpy, memmove namespace nlohmann { namespace detail { /*! @brief implements the Grisu2 algorithm for binary to decimal floating-point conversion. This implementation is a slightly modified version of the reference implementation which may be obtained from http://florian.loitsch.com/publications (bench.tar.gz). The code is distributed under the MIT license, Copyright (c) 2009 Florian Loitsch. For a detailed description of the algorithm see: [1] Loitsch, "Printing Floating-Point Numbers Quickly and Accurately with Integers", Proceedings of the ACM SIGPLAN 2010 Conference on Programming Language Design and Implementation, PLDI 2010 [2] Burger, Dybvig, "Printing Floating-Point Numbers Quickly and Accurately", Proceedings of the ACM SIGPLAN 1996 Conference on Programming Language Design and Implementation, PLDI 1996 */ namespace dtoa_impl { template Target reinterpret_bits(const Source source) { static_assert(sizeof(Target) == sizeof(Source), "size mismatch"); Target target; std::memcpy(&target, &source, sizeof(Source)); return target; } struct diyfp // f * 2^e { static constexpr int kPrecision = 64; // = q uint64_t f; int e; constexpr diyfp() noexcept : f(0), e(0) {} constexpr diyfp(uint64_t f_, int e_) noexcept : f(f_), e(e_) {} /*! @brief returns x - y @pre x.e == y.e and x.f >= y.f */ static diyfp sub(const diyfp& x, const diyfp& y) noexcept { assert(x.e == y.e); assert(x.f >= y.f); return diyfp(x.f - y.f, x.e); } /*! @brief returns x * y @note The result is rounded. (Only the upper q bits are returned.) */ static diyfp mul(const diyfp& x, const diyfp& y) noexcept { static_assert(kPrecision == 64, "internal error"); // Computes: // f = round((x.f * y.f) / 2^q) // e = x.e + y.e + q // Emulate the 64-bit * 64-bit multiplication: // // p = u * v // = (u_lo + 2^32 u_hi) (v_lo + 2^32 v_hi) // = (u_lo v_lo ) + 2^32 ((u_lo v_hi ) + (u_hi v_lo )) + 2^64 (u_hi v_hi ) // = (p0 ) + 2^32 ((p1 ) + (p2 )) + 2^64 (p3 ) // = (p0_lo + 2^32 p0_hi) + 2^32 ((p1_lo + 2^32 p1_hi) + (p2_lo + 2^32 p2_hi)) + 2^64 (p3 ) // = (p0_lo ) + 2^32 (p0_hi + p1_lo + p2_lo ) + 2^64 (p1_hi + p2_hi + p3) // = (p0_lo ) + 2^32 (Q ) + 2^64 (H ) // = (p0_lo ) + 2^32 (Q_lo + 2^32 Q_hi ) + 2^64 (H ) // // (Since Q might be larger than 2^32 - 1) // // = (p0_lo + 2^32 Q_lo) + 2^64 (Q_hi + H) // // (Q_hi + H does not overflow a 64-bit int) // // = p_lo + 2^64 p_hi const uint64_t u_lo = x.f & 0xFFFFFFFF; const uint64_t u_hi = x.f >> 32; const uint64_t v_lo = y.f & 0xFFFFFFFF; const uint64_t v_hi = y.f >> 32; const uint64_t p0 = u_lo * v_lo; const uint64_t p1 = u_lo * v_hi; const uint64_t p2 = u_hi * v_lo; const uint64_t p3 = u_hi * v_hi; const uint64_t p0_hi = p0 >> 32; const uint64_t p1_lo = p1 & 0xFFFFFFFF; const uint64_t p1_hi = p1 >> 32; const uint64_t p2_lo = p2 & 0xFFFFFFFF; const uint64_t p2_hi = p2 >> 32; uint64_t Q = p0_hi + p1_lo + p2_lo; // The full product might now be computed as // // p_hi = p3 + p2_hi + p1_hi + (Q >> 32) // p_lo = p0_lo + (Q << 32) // // But in this particular case here, the full p_lo is not required. // Effectively we only need to add the highest bit in p_lo to p_hi (and // Q_hi + 1 does not overflow). Q += uint64_t{1} << (64 - 32 - 1); // round, ties up const uint64_t h = p3 + p2_hi + p1_hi + (Q >> 32); return diyfp(h, x.e + y.e + 64); } /*! @brief normalize x such that the significand is >= 2^(q-1) @pre x.f != 0 */ static diyfp normalize(diyfp x) noexcept { assert(x.f != 0); while ((x.f >> 63) == 0) { x.f <<= 1; x.e--; } return x; } /*! @brief normalize x such that the result has the exponent E @pre e >= x.e and the upper e - x.e bits of x.f must be zero. */ static diyfp normalize_to(const diyfp& x, const int target_exponent) noexcept { const int delta = x.e - target_exponent; assert(delta >= 0); assert(((x.f << delta) >> delta) == x.f); return diyfp(x.f << delta, target_exponent); } }; struct boundaries { diyfp w; diyfp minus; diyfp plus; }; /*! Compute the (normalized) diyfp representing the input number 'value' and its boundaries. @pre value must be finite and positive */ template boundaries compute_boundaries(FloatType value) { assert(std::isfinite(value)); assert(value > 0); // Convert the IEEE representation into a diyfp. // // If v is denormal: // value = 0.F * 2^(1 - bias) = ( F) * 2^(1 - bias - (p-1)) // If v is normalized: // value = 1.F * 2^(E - bias) = (2^(p-1) + F) * 2^(E - bias - (p-1)) static_assert(std::numeric_limits::is_iec559, "internal error: dtoa_short requires an IEEE-754 floating-point implementation"); constexpr int kPrecision = std::numeric_limits::digits; // = p (includes the hidden bit) constexpr int kBias = std::numeric_limits::max_exponent - 1 + (kPrecision - 1); constexpr int kMinExp = 1 - kBias; constexpr uint64_t kHiddenBit = uint64_t{1} << (kPrecision - 1); // = 2^(p-1) using bits_type = typename std::conditional< kPrecision == 24, uint32_t, uint64_t >::type; const uint64_t bits = reinterpret_bits(value); const uint64_t E = bits >> (kPrecision - 1); const uint64_t F = bits & (kHiddenBit - 1); const bool is_denormal = (E == 0); const diyfp v = is_denormal ? diyfp(F, kMinExp) : diyfp(F + kHiddenBit, static_cast(E) - kBias); // Compute the boundaries m- and m+ of the floating-point value // v = f * 2^e. // // Determine v- and v+, the floating-point predecessor and successor if v, // respectively. // // v- = v - 2^e if f != 2^(p-1) or e == e_min (A) // = v - 2^(e-1) if f == 2^(p-1) and e > e_min (B) // // v+ = v + 2^e // // Let m- = (v- + v) / 2 and m+ = (v + v+) / 2. All real numbers _strictly_ // between m- and m+ round to v, regardless of how the input rounding // algorithm breaks ties. // // ---+-------------+-------------+-------------+-------------+--- (A) // v- m- v m+ v+ // // -----------------+------+------+-------------+-------------+--- (B) // v- m- v m+ v+ const bool lower_boundary_is_closer = (F == 0 and E > 1); const diyfp m_plus = diyfp(2 * v.f + 1, v.e - 1); const diyfp m_minus = lower_boundary_is_closer ? diyfp(4 * v.f - 1, v.e - 2) // (B) : diyfp(2 * v.f - 1, v.e - 1); // (A) // Determine the normalized w+ = m+. const diyfp w_plus = diyfp::normalize(m_plus); // Determine w- = m- such that e_(w-) = e_(w+). const diyfp w_minus = diyfp::normalize_to(m_minus, w_plus.e); return {diyfp::normalize(v), w_minus, w_plus}; } // Given normalized diyfp w, Grisu needs to find a (normalized) cached // power-of-ten c, such that the exponent of the product c * w = f * 2^e lies // within a certain range [alpha, gamma] (Definition 3.2 from [1]) // // alpha <= e = e_c + e_w + q <= gamma // // or // // f_c * f_w * 2^alpha <= f_c 2^(e_c) * f_w 2^(e_w) * 2^q // <= f_c * f_w * 2^gamma // // Since c and w are normalized, i.e. 2^(q-1) <= f < 2^q, this implies // // 2^(q-1) * 2^(q-1) * 2^alpha <= c * w * 2^q < 2^q * 2^q * 2^gamma // // or // // 2^(q - 2 + alpha) <= c * w < 2^(q + gamma) // // The choice of (alpha,gamma) determines the size of the table and the form of // the digit generation procedure. Using (alpha,gamma)=(-60,-32) works out well // in practice: // // The idea is to cut the number c * w = f * 2^e into two parts, which can be // processed independently: An integral part p1, and a fractional part p2: // // f * 2^e = ( (f div 2^-e) * 2^-e + (f mod 2^-e) ) * 2^e // = (f div 2^-e) + (f mod 2^-e) * 2^e // = p1 + p2 * 2^e // // The conversion of p1 into decimal form requires a series of divisions and // modulos by (a power of) 10. These operations are faster for 32-bit than for // 64-bit integers, so p1 should ideally fit into a 32-bit integer. This can be // achieved by choosing // // -e >= 32 or e <= -32 := gamma // // In order to convert the fractional part // // p2 * 2^e = p2 / 2^-e = d[-1] / 10^1 + d[-2] / 10^2 + ... // // into decimal form, the fraction is repeatedly multiplied by 10 and the digits // d[-i] are extracted in order: // // (10 * p2) div 2^-e = d[-1] // (10 * p2) mod 2^-e = d[-2] / 10^1 + ... // // The multiplication by 10 must not overflow. It is sufficient to choose // // 10 * p2 < 16 * p2 = 2^4 * p2 <= 2^64. // // Since p2 = f mod 2^-e < 2^-e, // // -e <= 60 or e >= -60 := alpha constexpr int kAlpha = -60; constexpr int kGamma = -32; struct cached_power // c = f * 2^e ~= 10^k { uint64_t f; int e; int k; }; /*! For a normalized diyfp w = f * 2^e, this function returns a (normalized) cached power-of-ten c = f_c * 2^e_c, such that the exponent of the product w * c satisfies (Definition 3.2 from [1]) alpha <= e_c + e + q <= gamma. */ inline cached_power get_cached_power_for_binary_exponent(int e) { // Now // // alpha <= e_c + e + q <= gamma (1) // ==> f_c * 2^alpha <= c * 2^e * 2^q // // and since the c's are normalized, 2^(q-1) <= f_c, // // ==> 2^(q - 1 + alpha) <= c * 2^(e + q) // ==> 2^(alpha - e - 1) <= c // // If c were an exakt power of ten, i.e. c = 10^k, one may determine k as // // k = ceil( log_10( 2^(alpha - e - 1) ) ) // = ceil( (alpha - e - 1) * log_10(2) ) // // From the paper: // "In theory the result of the procedure could be wrong since c is rounded, // and the computation itself is approximated [...]. In practice, however, // this simple function is sufficient." // // For IEEE double precision floating-point numbers converted into // normalized diyfp's w = f * 2^e, with q = 64, // // e >= -1022 (min IEEE exponent) // -52 (p - 1) // -52 (p - 1, possibly normalize denormal IEEE numbers) // -11 (normalize the diyfp) // = -1137 // // and // // e <= +1023 (max IEEE exponent) // -52 (p - 1) // -11 (normalize the diyfp) // = 960 // // This binary exponent range [-1137,960] results in a decimal exponent // range [-307,324]. One does not need to store a cached power for each // k in this range. For each such k it suffices to find a cached power // such that the exponent of the product lies in [alpha,gamma]. // This implies that the difference of the decimal exponents of adjacent // table entries must be less than or equal to // // floor( (gamma - alpha) * log_10(2) ) = 8. // // (A smaller distance gamma-alpha would require a larger table.) // NB: // Actually this function returns c, such that -60 <= e_c + e + 64 <= -34. constexpr int kCachedPowersSize = 79; constexpr int kCachedPowersMinDecExp = -300; constexpr int kCachedPowersDecStep = 8; static constexpr cached_power kCachedPowers[] = { { 0xAB70FE17C79AC6CA, -1060, -300 }, { 0xFF77B1FCBEBCDC4F, -1034, -292 }, { 0xBE5691EF416BD60C, -1007, -284 }, { 0x8DD01FAD907FFC3C, -980, -276 }, { 0xD3515C2831559A83, -954, -268 }, { 0x9D71AC8FADA6C9B5, -927, -260 }, { 0xEA9C227723EE8BCB, -901, -252 }, { 0xAECC49914078536D, -874, -244 }, { 0x823C12795DB6CE57, -847, -236 }, { 0xC21094364DFB5637, -821, -228 }, { 0x9096EA6F3848984F, -794, -220 }, { 0xD77485CB25823AC7, -768, -212 }, { 0xA086CFCD97BF97F4, -741, -204 }, { 0xEF340A98172AACE5, -715, -196 }, { 0xB23867FB2A35B28E, -688, -188 }, { 0x84C8D4DFD2C63F3B, -661, -180 }, { 0xC5DD44271AD3CDBA, -635, -172 }, { 0x936B9FCEBB25C996, -608, -164 }, { 0xDBAC6C247D62A584, -582, -156 }, { 0xA3AB66580D5FDAF6, -555, -148 }, { 0xF3E2F893DEC3F126, -529, -140 }, { 0xB5B5ADA8AAFF80B8, -502, -132 }, { 0x87625F056C7C4A8B, -475, -124 }, { 0xC9BCFF6034C13053, -449, -116 }, { 0x964E858C91BA2655, -422, -108 }, { 0xDFF9772470297EBD, -396, -100 }, { 0xA6DFBD9FB8E5B88F, -369, -92 }, { 0xF8A95FCF88747D94, -343, -84 }, { 0xB94470938FA89BCF, -316, -76 }, { 0x8A08F0F8BF0F156B, -289, -68 }, { 0xCDB02555653131B6, -263, -60 }, { 0x993FE2C6D07B7FAC, -236, -52 }, { 0xE45C10C42A2B3B06, -210, -44 }, { 0xAA242499697392D3, -183, -36 }, { 0xFD87B5F28300CA0E, -157, -28 }, { 0xBCE5086492111AEB, -130, -20 }, { 0x8CBCCC096F5088CC, -103, -12 }, { 0xD1B71758E219652C, -77, -4 }, { 0x9C40000000000000, -50, 4 }, { 0xE8D4A51000000000, -24, 12 }, { 0xAD78EBC5AC620000, 3, 20 }, { 0x813F3978F8940984, 30, 28 }, { 0xC097CE7BC90715B3, 56, 36 }, { 0x8F7E32CE7BEA5C70, 83, 44 }, { 0xD5D238A4ABE98068, 109, 52 }, { 0x9F4F2726179A2245, 136, 60 }, { 0xED63A231D4C4FB27, 162, 68 }, { 0xB0DE65388CC8ADA8, 189, 76 }, { 0x83C7088E1AAB65DB, 216, 84 }, { 0xC45D1DF942711D9A, 242, 92 }, { 0x924D692CA61BE758, 269, 100 }, { 0xDA01EE641A708DEA, 295, 108 }, { 0xA26DA3999AEF774A, 322, 116 }, { 0xF209787BB47D6B85, 348, 124 }, { 0xB454E4A179DD1877, 375, 132 }, { 0x865B86925B9BC5C2, 402, 140 }, { 0xC83553C5C8965D3D, 428, 148 }, { 0x952AB45CFA97A0B3, 455, 156 }, { 0xDE469FBD99A05FE3, 481, 164 }, { 0xA59BC234DB398C25, 508, 172 }, { 0xF6C69A72A3989F5C, 534, 180 }, { 0xB7DCBF5354E9BECE, 561, 188 }, { 0x88FCF317F22241E2, 588, 196 }, { 0xCC20CE9BD35C78A5, 614, 204 }, { 0x98165AF37B2153DF, 641, 212 }, { 0xE2A0B5DC971F303A, 667, 220 }, { 0xA8D9D1535CE3B396, 694, 228 }, { 0xFB9B7CD9A4A7443C, 720, 236 }, { 0xBB764C4CA7A44410, 747, 244 }, { 0x8BAB8EEFB6409C1A, 774, 252 }, { 0xD01FEF10A657842C, 800, 260 }, { 0x9B10A4E5E9913129, 827, 268 }, { 0xE7109BFBA19C0C9D, 853, 276 }, { 0xAC2820D9623BF429, 880, 284 }, { 0x80444B5E7AA7CF85, 907, 292 }, { 0xBF21E44003ACDD2D, 933, 300 }, { 0x8E679C2F5E44FF8F, 960, 308 }, { 0xD433179D9C8CB841, 986, 316 }, { 0x9E19DB92B4E31BA9, 1013, 324 }, }; // This computation gives exactly the same results for k as // k = ceil((kAlpha - e - 1) * 0.30102999566398114) // for |e| <= 1500, but doesn't require floating-point operations. // NB: log_10(2) ~= 78913 / 2^18 assert(e >= -1500); assert(e <= 1500); const int f = kAlpha - e - 1; const int k = (f * 78913) / (1 << 18) + (f > 0); const int index = (-kCachedPowersMinDecExp + k + (kCachedPowersDecStep - 1)) / kCachedPowersDecStep; assert(index >= 0); assert(index < kCachedPowersSize); static_cast(kCachedPowersSize); // Fix warning. const cached_power cached = kCachedPowers[index]; assert(kAlpha <= cached.e + e + 64); assert(kGamma >= cached.e + e + 64); return cached; } /*! For n != 0, returns k, such that pow10 := 10^(k-1) <= n < 10^k. For n == 0, returns 1 and sets pow10 := 1. */ inline int find_largest_pow10(const uint32_t n, uint32_t& pow10) { // LCOV_EXCL_START if (n >= 1000000000) { pow10 = 1000000000; return 10; } // LCOV_EXCL_STOP else if (n >= 100000000) { pow10 = 100000000; return 9; } else if (n >= 10000000) { pow10 = 10000000; return 8; } else if (n >= 1000000) { pow10 = 1000000; return 7; } else if (n >= 100000) { pow10 = 100000; return 6; } else if (n >= 10000) { pow10 = 10000; return 5; } else if (n >= 1000) { pow10 = 1000; return 4; } else if (n >= 100) { pow10 = 100; return 3; } else if (n >= 10) { pow10 = 10; return 2; } else { pow10 = 1; return 1; } } inline void grisu2_round(char* buf, int len, uint64_t dist, uint64_t delta, uint64_t rest, uint64_t ten_k) { assert(len >= 1); assert(dist <= delta); assert(rest <= delta); assert(ten_k > 0); // <--------------------------- delta ----> // <---- dist ---------> // --------------[------------------+-------------------]-------------- // M- w M+ // // ten_k // <------> // <---- rest ----> // --------------[------------------+----+--------------]-------------- // w V // = buf * 10^k // // ten_k represents a unit-in-the-last-place in the decimal representation // stored in buf. // Decrement buf by ten_k while this takes buf closer to w. // The tests are written in this order to avoid overflow in unsigned // integer arithmetic. while (rest < dist and delta - rest >= ten_k and (rest + ten_k < dist or dist - rest > rest + ten_k - dist)) { assert(buf[len - 1] != '0'); buf[len - 1]--; rest += ten_k; } } /*! Generates V = buffer * 10^decimal_exponent, such that M- <= V <= M+. M- and M+ must be normalized and share the same exponent -60 <= e <= -32. */ inline void grisu2_digit_gen(char* buffer, int& length, int& decimal_exponent, diyfp M_minus, diyfp w, diyfp M_plus) { static_assert(kAlpha >= -60, "internal error"); static_assert(kGamma <= -32, "internal error"); // Generates the digits (and the exponent) of a decimal floating-point // number V = buffer * 10^decimal_exponent in the range [M-, M+]. The diyfp's // w, M- and M+ share the same exponent e, which satisfies alpha <= e <= gamma. // // <--------------------------- delta ----> // <---- dist ---------> // --------------[------------------+-------------------]-------------- // M- w M+ // // Grisu2 generates the digits of M+ from left to right and stops as soon as // V is in [M-,M+]. assert(M_plus.e >= kAlpha); assert(M_plus.e <= kGamma); uint64_t delta = diyfp::sub(M_plus, M_minus).f; // (significand of (M+ - M-), implicit exponent is e) uint64_t dist = diyfp::sub(M_plus, w ).f; // (significand of (M+ - w ), implicit exponent is e) // Split M+ = f * 2^e into two parts p1 and p2 (note: e < 0): // // M+ = f * 2^e // = ((f div 2^-e) * 2^-e + (f mod 2^-e)) * 2^e // = ((p1 ) * 2^-e + (p2 )) * 2^e // = p1 + p2 * 2^e const diyfp one(uint64_t{1} << -M_plus.e, M_plus.e); uint32_t p1 = static_cast(M_plus.f >> -one.e); // p1 = f div 2^-e (Since -e >= 32, p1 fits into a 32-bit int.) uint64_t p2 = M_plus.f & (one.f - 1); // p2 = f mod 2^-e // 1) // // Generate the digits of the integral part p1 = d[n-1]...d[1]d[0] assert(p1 > 0); uint32_t pow10; const int k = find_largest_pow10(p1, pow10); // 10^(k-1) <= p1 < 10^k, pow10 = 10^(k-1) // // p1 = (p1 div 10^(k-1)) * 10^(k-1) + (p1 mod 10^(k-1)) // = (d[k-1] ) * 10^(k-1) + (p1 mod 10^(k-1)) // // M+ = p1 + p2 * 2^e // = d[k-1] * 10^(k-1) + (p1 mod 10^(k-1)) + p2 * 2^e // = d[k-1] * 10^(k-1) + ((p1 mod 10^(k-1)) * 2^-e + p2) * 2^e // = d[k-1] * 10^(k-1) + ( rest) * 2^e // // Now generate the digits d[n] of p1 from left to right (n = k-1,...,0) // // p1 = d[k-1]...d[n] * 10^n + d[n-1]...d[0] // // but stop as soon as // // rest * 2^e = (d[n-1]...d[0] * 2^-e + p2) * 2^e <= delta * 2^e int n = k; while (n > 0) { // Invariants: // M+ = buffer * 10^n + (p1 + p2 * 2^e) (buffer = 0 for n = k) // pow10 = 10^(n-1) <= p1 < 10^n // const uint32_t d = p1 / pow10; // d = p1 div 10^(n-1) const uint32_t r = p1 % pow10; // r = p1 mod 10^(n-1) // // M+ = buffer * 10^n + (d * 10^(n-1) + r) + p2 * 2^e // = (buffer * 10 + d) * 10^(n-1) + (r + p2 * 2^e) // assert(d <= 9); buffer[length++] = static_cast('0' + d); // buffer := buffer * 10 + d // // M+ = buffer * 10^(n-1) + (r + p2 * 2^e) // p1 = r; n--; // // M+ = buffer * 10^n + (p1 + p2 * 2^e) // pow10 = 10^n // // Now check if enough digits have been generated. // Compute // // p1 + p2 * 2^e = (p1 * 2^-e + p2) * 2^e = rest * 2^e // // Note: // Since rest and delta share the same exponent e, it suffices to // compare the significands. const uint64_t rest = (uint64_t{p1} << -one.e) + p2; if (rest <= delta) { // V = buffer * 10^n, with M- <= V <= M+. decimal_exponent += n; // We may now just stop. But instead look if the buffer could be // decremented to bring V closer to w. // // pow10 = 10^n is now 1 ulp in the decimal representation V. // The rounding procedure works with diyfp's with an implicit // exponent of e. // // 10^n = (10^n * 2^-e) * 2^e = ulp * 2^e // const uint64_t ten_n = uint64_t{pow10} << -one.e; grisu2_round(buffer, length, dist, delta, rest, ten_n); return; } pow10 /= 10; // // pow10 = 10^(n-1) <= p1 < 10^n // Invariants restored. } // 2) // // The digits of the integral part have been generated: // // M+ = d[k-1]...d[1]d[0] + p2 * 2^e // = buffer + p2 * 2^e // // Now generate the digits of the fractional part p2 * 2^e. // // Note: // No decimal point is generated: the exponent is adjusted instead. // // p2 actually represents the fraction // // p2 * 2^e // = p2 / 2^-e // = d[-1] / 10^1 + d[-2] / 10^2 + ... // // Now generate the digits d[-m] of p1 from left to right (m = 1,2,...) // // p2 * 2^e = d[-1]d[-2]...d[-m] * 10^-m // + 10^-m * (d[-m-1] / 10^1 + d[-m-2] / 10^2 + ...) // // using // // 10^m * p2 = ((10^m * p2) div 2^-e) * 2^-e + ((10^m * p2) mod 2^-e) // = ( d) * 2^-e + ( r) // // or // 10^m * p2 * 2^e = d + r * 2^e // // i.e. // // M+ = buffer + p2 * 2^e // = buffer + 10^-m * (d + r * 2^e) // = (buffer * 10^m + d) * 10^-m + 10^-m * r * 2^e // // and stop as soon as 10^-m * r * 2^e <= delta * 2^e assert(p2 > delta); int m = 0; for (;;) { // Invariant: // M+ = buffer * 10^-m + 10^-m * (d[-m-1] / 10 + d[-m-2] / 10^2 + ...) * 2^e // = buffer * 10^-m + 10^-m * (p2 ) * 2^e // = buffer * 10^-m + 10^-m * (1/10 * (10 * p2) ) * 2^e // = buffer * 10^-m + 10^-m * (1/10 * ((10*p2 div 2^-e) * 2^-e + (10*p2 mod 2^-e)) * 2^e // assert(p2 <= UINT64_MAX / 10); p2 *= 10; const uint64_t d = p2 >> -one.e; // d = (10 * p2) div 2^-e const uint64_t r = p2 & (one.f - 1); // r = (10 * p2) mod 2^-e // // M+ = buffer * 10^-m + 10^-m * (1/10 * (d * 2^-e + r) * 2^e // = buffer * 10^-m + 10^-m * (1/10 * (d + r * 2^e)) // = (buffer * 10 + d) * 10^(-m-1) + 10^(-m-1) * r * 2^e // assert(d <= 9); buffer[length++] = static_cast('0' + d); // buffer := buffer * 10 + d // // M+ = buffer * 10^(-m-1) + 10^(-m-1) * r * 2^e // p2 = r; m++; // // M+ = buffer * 10^-m + 10^-m * p2 * 2^e // Invariant restored. // Check if enough digits have been generated. // // 10^-m * p2 * 2^e <= delta * 2^e // p2 * 2^e <= 10^m * delta * 2^e // p2 <= 10^m * delta delta *= 10; dist *= 10; if (p2 <= delta) { break; } } // V = buffer * 10^-m, with M- <= V <= M+. decimal_exponent -= m; // 1 ulp in the decimal representation is now 10^-m. // Since delta and dist are now scaled by 10^m, we need to do the // same with ulp in order to keep the units in sync. // // 10^m * 10^-m = 1 = 2^-e * 2^e = ten_m * 2^e // const uint64_t ten_m = one.f; grisu2_round(buffer, length, dist, delta, p2, ten_m); // By construction this algorithm generates the shortest possible decimal // number (Loitsch, Theorem 6.2) which rounds back to w. // For an input number of precision p, at least // // N = 1 + ceil(p * log_10(2)) // // decimal digits are sufficient to identify all binary floating-point // numbers (Matula, "In-and-Out conversions"). // This implies that the algorithm does not produce more than N decimal // digits. // // N = 17 for p = 53 (IEEE double precision) // N = 9 for p = 24 (IEEE single precision) } /*! v = buf * 10^decimal_exponent len is the length of the buffer (number of decimal digits) The buffer must be large enough, i.e. >= max_digits10. */ inline void grisu2(char* buf, int& len, int& decimal_exponent, diyfp m_minus, diyfp v, diyfp m_plus) { assert(m_plus.e == m_minus.e); assert(m_plus.e == v.e); // --------(-----------------------+-----------------------)-------- (A) // m- v m+ // // --------------------(-----------+-----------------------)-------- (B) // m- v m+ // // First scale v (and m- and m+) such that the exponent is in the range // [alpha, gamma]. const cached_power cached = get_cached_power_for_binary_exponent(m_plus.e); const diyfp c_minus_k(cached.f, cached.e); // = c ~= 10^-k // The exponent of the products is = v.e + c_minus_k.e + q and is in the range [alpha,gamma] const diyfp w = diyfp::mul(v, c_minus_k); const diyfp w_minus = diyfp::mul(m_minus, c_minus_k); const diyfp w_plus = diyfp::mul(m_plus, c_minus_k); // ----(---+---)---------------(---+---)---------------(---+---)---- // w- w w+ // = c*m- = c*v = c*m+ // // diyfp::mul rounds its result and c_minus_k is approximated too. w, w- and // w+ are now off by a small amount. // In fact: // // w - v * 10^k < 1 ulp // // To account for this inaccuracy, add resp. subtract 1 ulp. // // --------+---[---------------(---+---)---------------]---+-------- // w- M- w M+ w+ // // Now any number in [M-, M+] (bounds included) will round to w when input, // regardless of how the input rounding algorithm breaks ties. // // And digit_gen generates the shortest possible such number in [M-, M+]. // Note that this does not mean that Grisu2 always generates the shortest // possible number in the interval (m-, m+). const diyfp M_minus(w_minus.f + 1, w_minus.e); const diyfp M_plus (w_plus.f - 1, w_plus.e ); decimal_exponent = -cached.k; // = -(-k) = k grisu2_digit_gen(buf, len, decimal_exponent, M_minus, w, M_plus); } /*! v = buf * 10^decimal_exponent len is the length of the buffer (number of decimal digits) The buffer must be large enough, i.e. >= max_digits10. */ template void grisu2(char* buf, int& len, int& decimal_exponent, FloatType value) { static_assert(diyfp::kPrecision >= std::numeric_limits::digits + 3, "internal error: not enough precision"); assert(std::isfinite(value)); assert(value > 0); // If the neighbors (and boundaries) of 'value' are always computed for double-precision // numbers, all float's can be recovered using strtod (and strtof). However, the resulting // decimal representations are not exactly "short". // // The documentation for 'std::to_chars' (https://en.cppreference.com/w/cpp/utility/to_chars) // says "value is converted to a string as if by std::sprintf in the default ("C") locale" // and since sprintf promotes float's to double's, I think this is exactly what 'std::to_chars' // does. // On the other hand, the documentation for 'std::to_chars' requires that "parsing the // representation using the corresponding std::from_chars function recovers value exactly". That // indicates that single precision floating-point numbers should be recovered using // 'std::strtof'. // // NB: If the neighbors are computed for single-precision numbers, there is a single float // (7.0385307e-26f) which can't be recovered using strtod. The resulting double precision // value is off by 1 ulp. #if 0 const boundaries w = compute_boundaries(static_cast(value)); #else const boundaries w = compute_boundaries(value); #endif grisu2(buf, len, decimal_exponent, w.minus, w.w, w.plus); } /*! @brief appends a decimal representation of e to buf @return a pointer to the element following the exponent. @pre -1000 < e < 1000 */ inline char* append_exponent(char* buf, int e) { assert(e > -1000); assert(e < 1000); if (e < 0) { e = -e; *buf++ = '-'; } else { *buf++ = '+'; } uint32_t k = static_cast(e); if (k < 10) { // Always print at least two digits in the exponent. // This is for compatibility with printf("%g"). *buf++ = '0'; *buf++ = static_cast('0' + k); } else if (k < 100) { *buf++ = static_cast('0' + k / 10); k %= 10; *buf++ = static_cast('0' + k); } else { *buf++ = static_cast('0' + k / 100); k %= 100; *buf++ = static_cast('0' + k / 10); k %= 10; *buf++ = static_cast('0' + k); } return buf; } /*! @brief prettify v = buf * 10^decimal_exponent If v is in the range [10^min_exp, 10^max_exp) it will be printed in fixed-point notation. Otherwise it will be printed in exponential notation. @pre min_exp < 0 @pre max_exp > 0 */ inline char* format_buffer(char* buf, int len, int decimal_exponent, int min_exp, int max_exp) { assert(min_exp < 0); assert(max_exp > 0); const int k = len; const int n = len + decimal_exponent; // v = buf * 10^(n-k) // k is the length of the buffer (number of decimal digits) // n is the position of the decimal point relative to the start of the buffer. if (k <= n and n <= max_exp) { // digits[000] // len <= max_exp + 2 std::memset(buf + k, '0', static_cast(n - k)); // Make it look like a floating-point number (#362, #378) buf[n + 0] = '.'; buf[n + 1] = '0'; return buf + (n + 2); } if (0 < n and n <= max_exp) { // dig.its // len <= max_digits10 + 1 assert(k > n); std::memmove(buf + (n + 1), buf + n, static_cast(k - n)); buf[n] = '.'; return buf + (k + 1); } if (min_exp < n and n <= 0) { // 0.[000]digits // len <= 2 + (-min_exp - 1) + max_digits10 std::memmove(buf + (2 + -n), buf, static_cast(k)); buf[0] = '0'; buf[1] = '.'; std::memset(buf + 2, '0', static_cast(-n)); return buf + (2 + (-n) + k); } if (k == 1) { // dE+123 // len <= 1 + 5 buf += 1; } else { // d.igitsE+123 // len <= max_digits10 + 1 + 5 std::memmove(buf + 2, buf + 1, static_cast(k - 1)); buf[1] = '.'; buf += 1 + k; } *buf++ = 'e'; return append_exponent(buf, n - 1); } } // namespace dtoa_impl /*! @brief generates a decimal representation of the floating-point number value in [first, last). The format of the resulting decimal representation is similar to printf's %g format. Returns an iterator pointing past-the-end of the decimal representation. @note The input number must be finite, i.e. NaN's and Inf's are not supported. @note The buffer must be large enough. @note The result is NOT null-terminated. */ template char* to_chars(char* first, char* last, FloatType value) { static_cast(last); // maybe unused - fix warning assert(std::isfinite(value)); // Use signbit(value) instead of (value < 0) since signbit works for -0. if (std::signbit(value)) { value = -value; *first++ = '-'; } if (value == 0) // +-0 { *first++ = '0'; // Make it look like a floating-point number (#362, #378) *first++ = '.'; *first++ = '0'; return first; } assert(last - first >= std::numeric_limits::max_digits10); // Compute v = buffer * 10^decimal_exponent. // The decimal digits are stored in the buffer, which needs to be interpreted // as an unsigned decimal integer. // len is the length of the buffer, i.e. the number of decimal digits. int len = 0; int decimal_exponent = 0; dtoa_impl::grisu2(first, len, decimal_exponent, value); assert(len <= std::numeric_limits::max_digits10); // Format the buffer like printf("%.*g", prec, value) constexpr int kMinExp = -4; // Use digits10 here to increase compatibility with version 2. constexpr int kMaxExp = std::numeric_limits::digits10; assert(last - first >= kMaxExp + 2); assert(last - first >= 2 + (-kMinExp - 1) + std::numeric_limits::max_digits10); assert(last - first >= std::numeric_limits::max_digits10 + 6); return dtoa_impl::format_buffer(first, len, decimal_exponent, kMinExp, kMaxExp); } } // namespace detail } // namespace nlohmann avogadrolibs-1.100.0/thirdparty/nlohmann/detail/conversions/to_json.hpp000066400000000000000000000261021474375334400263460ustar00rootroot00000000000000#pragma once #include // or, and, not #include // begin, end #include // tuple, get #include // is_same, is_constructible, is_floating_point, is_enum, underlying_type #include // move, forward, declval, pair #include // valarray #include // vector #include #include #include #include namespace nlohmann { namespace detail { ////////////////// // constructors // ////////////////// template struct external_constructor; template<> struct external_constructor { template static void construct(BasicJsonType& j, typename BasicJsonType::boolean_t b) noexcept { j.m_type = value_t::boolean; j.m_value = b; j.assert_invariant(); } }; template<> struct external_constructor { template static void construct(BasicJsonType& j, const typename BasicJsonType::string_t& s) { j.m_type = value_t::string; j.m_value = s; j.assert_invariant(); } template static void construct(BasicJsonType& j, typename BasicJsonType::string_t&& s) { j.m_type = value_t::string; j.m_value = std::move(s); j.assert_invariant(); } template::value, int> = 0> static void construct(BasicJsonType& j, const CompatibleStringType& str) { j.m_type = value_t::string; j.m_value.string = j.template create(str); j.assert_invariant(); } }; template<> struct external_constructor { template static void construct(BasicJsonType& j, typename BasicJsonType::number_float_t val) noexcept { j.m_type = value_t::number_float; j.m_value = val; j.assert_invariant(); } }; template<> struct external_constructor { template static void construct(BasicJsonType& j, typename BasicJsonType::number_unsigned_t val) noexcept { j.m_type = value_t::number_unsigned; j.m_value = val; j.assert_invariant(); } }; template<> struct external_constructor { template static void construct(BasicJsonType& j, typename BasicJsonType::number_integer_t val) noexcept { j.m_type = value_t::number_integer; j.m_value = val; j.assert_invariant(); } }; template<> struct external_constructor { template static void construct(BasicJsonType& j, const typename BasicJsonType::array_t& arr) { j.m_type = value_t::array; j.m_value = arr; j.assert_invariant(); } template static void construct(BasicJsonType& j, typename BasicJsonType::array_t&& arr) { j.m_type = value_t::array; j.m_value = std::move(arr); j.assert_invariant(); } template::value, int> = 0> static void construct(BasicJsonType& j, const CompatibleArrayType& arr) { using std::begin; using std::end; j.m_type = value_t::array; j.m_value.array = j.template create(begin(arr), end(arr)); j.assert_invariant(); } template static void construct(BasicJsonType& j, const std::vector& arr) { j.m_type = value_t::array; j.m_value = value_t::array; j.m_value.array->reserve(arr.size()); for (const bool x : arr) { j.m_value.array->push_back(x); } j.assert_invariant(); } template::value, int> = 0> static void construct(BasicJsonType& j, const std::valarray& arr) { j.m_type = value_t::array; j.m_value = value_t::array; j.m_value.array->resize(arr.size()); std::copy(std::begin(arr), std::end(arr), j.m_value.array->begin()); j.assert_invariant(); } }; template<> struct external_constructor { template static void construct(BasicJsonType& j, const typename BasicJsonType::object_t& obj) { j.m_type = value_t::object; j.m_value = obj; j.assert_invariant(); } template static void construct(BasicJsonType& j, typename BasicJsonType::object_t&& obj) { j.m_type = value_t::object; j.m_value = std::move(obj); j.assert_invariant(); } template::value, int> = 0> static void construct(BasicJsonType& j, const CompatibleObjectType& obj) { using std::begin; using std::end; j.m_type = value_t::object; j.m_value.object = j.template create(begin(obj), end(obj)); j.assert_invariant(); } }; ///////////// // to_json // ///////////// template::value, int> = 0> void to_json(BasicJsonType& j, T b) noexcept { external_constructor::construct(j, b); } template::value, int> = 0> void to_json(BasicJsonType& j, const CompatibleString& s) { external_constructor::construct(j, s); } template void to_json(BasicJsonType& j, typename BasicJsonType::string_t&& s) { external_constructor::construct(j, std::move(s)); } template::value, int> = 0> void to_json(BasicJsonType& j, FloatType val) noexcept { external_constructor::construct(j, static_cast(val)); } template::value, int> = 0> void to_json(BasicJsonType& j, CompatibleNumberUnsignedType val) noexcept { external_constructor::construct(j, static_cast(val)); } template::value, int> = 0> void to_json(BasicJsonType& j, CompatibleNumberIntegerType val) noexcept { external_constructor::construct(j, static_cast(val)); } template::value, int> = 0> void to_json(BasicJsonType& j, EnumType e) noexcept { using underlying_type = typename std::underlying_type::type; external_constructor::construct(j, static_cast(e)); } template void to_json(BasicJsonType& j, const std::vector& e) { external_constructor::construct(j, e); } template ::value and not is_compatible_object_type< BasicJsonType, CompatibleArrayType>::value and not is_compatible_string_type::value and not is_basic_json::value, int> = 0> void to_json(BasicJsonType& j, const CompatibleArrayType& arr) { external_constructor::construct(j, arr); } template::value, int> = 0> void to_json(BasicJsonType& j, const std::valarray& arr) { external_constructor::construct(j, std::move(arr)); } template void to_json(BasicJsonType& j, typename BasicJsonType::array_t&& arr) { external_constructor::construct(j, std::move(arr)); } template::value and not is_basic_json::value, int> = 0> void to_json(BasicJsonType& j, const CompatibleObjectType& obj) { external_constructor::construct(j, obj); } template void to_json(BasicJsonType& j, typename BasicJsonType::object_t&& obj) { external_constructor::construct(j, std::move(obj)); } template < typename BasicJsonType, typename T, std::size_t N, enable_if_t::value, int> = 0 > void to_json(BasicJsonType& j, const T (&arr)[N]) { external_constructor::construct(j, arr); } template void to_json(BasicJsonType& j, const std::pair& p) { j = {p.first, p.second}; } // for https://github.com/nlohmann/json/pull/1134 template::iteration_proxy_internal>::value, int> = 0> void to_json(BasicJsonType& j, T b) noexcept { j = {{b.key(), b.value()}}; } template void to_json_tuple_impl(BasicJsonType& j, const Tuple& t, index_sequence) { j = {std::get(t)...}; } template void to_json(BasicJsonType& j, const std::tuple& t) { to_json_tuple_impl(j, t, index_sequence_for {}); } struct to_json_fn { template auto operator()(BasicJsonType& j, T&& val) const noexcept(noexcept(to_json(j, std::forward(val)))) -> decltype(to_json(j, std::forward(val)), void()) { return to_json(j, std::forward(val)); } }; } /// namespace to hold default `to_json` function namespace { constexpr const auto& to_json = detail::static_const::value; } } avogadrolibs-1.100.0/thirdparty/nlohmann/detail/exceptions.hpp000066400000000000000000000463201474375334400245100ustar00rootroot00000000000000#pragma once #include // exception #include // runtime_error #include // to_string namespace nlohmann { namespace detail { //////////////// // exceptions // //////////////// /*! @brief general exception of the @ref basic_json class This class is an extension of `std::exception` objects with a member @a id for exception ids. It is used as the base class for all exceptions thrown by the @ref basic_json class. This class can hence be used as "wildcard" to catch exceptions. Subclasses: - @ref parse_error for exceptions indicating a parse error - @ref invalid_iterator for exceptions indicating errors with iterators - @ref type_error for exceptions indicating executing a member function with a wrong type - @ref out_of_range for exceptions indicating access out of the defined range - @ref other_error for exceptions indicating other library errors @internal @note To have nothrow-copy-constructible exceptions, we internally use `std::runtime_error` which can cope with arbitrary-length error messages. Intermediate strings are built with static functions and then passed to the actual constructor. @endinternal @liveexample{The following code shows how arbitrary library exceptions can be caught.,exception} @since version 3.0.0 */ class exception : public std::exception { public: /// returns the explanatory string const char* what() const noexcept override { return m.what(); } /// the id of the exception const int id; protected: exception(int id_, const char* what_arg) : id(id_), m(what_arg) {} static std::string name(const std::string& ename, int id_) { return "[json.exception." + ename + "." + std::to_string(id_) + "] "; } private: /// an exception object as storage for error messages std::runtime_error m; }; /*! @brief exception indicating a parse error This exception is thrown by the library when a parse error occurs. Parse errors can occur during the deserialization of JSON text, CBOR, MessagePack, as well as when using JSON Patch. Member @a byte holds the byte index of the last read character in the input file. Exceptions have ids 1xx. name / id | example message | description ------------------------------ | --------------- | ------------------------- json.exception.parse_error.101 | parse error at 2: unexpected end of input; expected string literal | This error indicates a syntax error while deserializing a JSON text. The error message describes that an unexpected token (character) was encountered, and the member @a byte indicates the error position. json.exception.parse_error.102 | parse error at 14: missing or wrong low surrogate | JSON uses the `\uxxxx` format to describe Unicode characters. Code points above above 0xFFFF are split into two `\uxxxx` entries ("surrogate pairs"). This error indicates that the surrogate pair is incomplete or contains an invalid code point. json.exception.parse_error.103 | parse error: code points above 0x10FFFF are invalid | Unicode supports code points up to 0x10FFFF. Code points above 0x10FFFF are invalid. json.exception.parse_error.104 | parse error: JSON patch must be an array of objects | [RFC 6902](https://tools.ietf.org/html/rfc6902) requires a JSON Patch document to be a JSON document that represents an array of objects. json.exception.parse_error.105 | parse error: operation must have string member 'op' | An operation of a JSON Patch document must contain exactly one "op" member, whose value indicates the operation to perform. Its value must be one of "add", "remove", "replace", "move", "copy", or "test"; other values are errors. json.exception.parse_error.106 | parse error: array index '01' must not begin with '0' | An array index in a JSON Pointer ([RFC 6901](https://tools.ietf.org/html/rfc6901)) may be `0` or any number without a leading `0`. json.exception.parse_error.107 | parse error: JSON pointer must be empty or begin with '/' - was: 'foo' | A JSON Pointer must be a Unicode string containing a sequence of zero or more reference tokens, each prefixed by a `/` character. json.exception.parse_error.108 | parse error: escape character '~' must be followed with '0' or '1' | In a JSON Pointer, only `~0` and `~1` are valid escape sequences. json.exception.parse_error.109 | parse error: array index 'one' is not a number | A JSON Pointer array index must be a number. json.exception.parse_error.110 | parse error at 1: cannot read 2 bytes from vector | When parsing CBOR or MessagePack, the byte vector ends before the complete value has been read. json.exception.parse_error.112 | parse error at 1: error reading CBOR; last byte: 0xF8 | Not all types of CBOR or MessagePack are supported. This exception occurs if an unsupported byte was read. json.exception.parse_error.113 | parse error at 2: expected a CBOR string; last byte: 0x98 | While parsing a map key, a value that is not a string has been read. @note For an input with n bytes, 1 is the index of the first character and n+1 is the index of the terminating null byte or the end of file. This also holds true when reading a byte vector (CBOR or MessagePack). @liveexample{The following code shows how a `parse_error` exception can be caught.,parse_error} @sa @ref exception for the base class of the library exceptions @sa @ref invalid_iterator for exceptions indicating errors with iterators @sa @ref type_error for exceptions indicating executing a member function with a wrong type @sa @ref out_of_range for exceptions indicating access out of the defined range @sa @ref other_error for exceptions indicating other library errors @since version 3.0.0 */ class parse_error : public exception { public: /*! @brief create a parse error exception @param[in] id_ the id of the exception @param[in] byte_ the byte index where the error occurred (or 0 if the position cannot be determined) @param[in] what_arg the explanatory string @return parse_error object */ static parse_error create(int id_, std::size_t byte_, const std::string& what_arg) { std::string w = exception::name("parse_error", id_) + "parse error" + (byte_ != 0 ? (" at " + std::to_string(byte_)) : "") + ": " + what_arg; return parse_error(id_, byte_, w.c_str()); } /*! @brief byte index of the parse error The byte index of the last read character in the input file. @note For an input with n bytes, 1 is the index of the first character and n+1 is the index of the terminating null byte or the end of file. This also holds true when reading a byte vector (CBOR or MessagePack). */ const std::size_t byte; private: parse_error(int id_, std::size_t byte_, const char* what_arg) : exception(id_, what_arg), byte(byte_) {} }; /*! @brief exception indicating errors with iterators This exception is thrown if iterators passed to a library function do not match the expected semantics. Exceptions have ids 2xx. name / id | example message | description ----------------------------------- | --------------- | ------------------------- json.exception.invalid_iterator.201 | iterators are not compatible | The iterators passed to constructor @ref basic_json(InputIT first, InputIT last) are not compatible, meaning they do not belong to the same container. Therefore, the range (@a first, @a last) is invalid. json.exception.invalid_iterator.202 | iterator does not fit current value | In an erase or insert function, the passed iterator @a pos does not belong to the JSON value for which the function was called. It hence does not define a valid position for the deletion/insertion. json.exception.invalid_iterator.203 | iterators do not fit current value | Either iterator passed to function @ref erase(IteratorType first, IteratorType last) does not belong to the JSON value from which values shall be erased. It hence does not define a valid range to delete values from. json.exception.invalid_iterator.204 | iterators out of range | When an iterator range for a primitive type (number, boolean, or string) is passed to a constructor or an erase function, this range has to be exactly (@ref begin(), @ref end()), because this is the only way the single stored value is expressed. All other ranges are invalid. json.exception.invalid_iterator.205 | iterator out of range | When an iterator for a primitive type (number, boolean, or string) is passed to an erase function, the iterator has to be the @ref begin() iterator, because it is the only way to address the stored value. All other iterators are invalid. json.exception.invalid_iterator.206 | cannot construct with iterators from null | The iterators passed to constructor @ref basic_json(InputIT first, InputIT last) belong to a JSON null value and hence to not define a valid range. json.exception.invalid_iterator.207 | cannot use key() for non-object iterators | The key() member function can only be used on iterators belonging to a JSON object, because other types do not have a concept of a key. json.exception.invalid_iterator.208 | cannot use operator[] for object iterators | The operator[] to specify a concrete offset cannot be used on iterators belonging to a JSON object, because JSON objects are unordered. json.exception.invalid_iterator.209 | cannot use offsets with object iterators | The offset operators (+, -, +=, -=) cannot be used on iterators belonging to a JSON object, because JSON objects are unordered. json.exception.invalid_iterator.210 | iterators do not fit | The iterator range passed to the insert function are not compatible, meaning they do not belong to the same container. Therefore, the range (@a first, @a last) is invalid. json.exception.invalid_iterator.211 | passed iterators may not belong to container | The iterator range passed to the insert function must not be a subrange of the container to insert to. json.exception.invalid_iterator.212 | cannot compare iterators of different containers | When two iterators are compared, they must belong to the same container. json.exception.invalid_iterator.213 | cannot compare order of object iterators | The order of object iterators cannot be compared, because JSON objects are unordered. json.exception.invalid_iterator.214 | cannot get value | Cannot get value for iterator: Either the iterator belongs to a null value or it is an iterator to a primitive type (number, boolean, or string), but the iterator is different to @ref begin(). @liveexample{The following code shows how an `invalid_iterator` exception can be caught.,invalid_iterator} @sa @ref exception for the base class of the library exceptions @sa @ref parse_error for exceptions indicating a parse error @sa @ref type_error for exceptions indicating executing a member function with a wrong type @sa @ref out_of_range for exceptions indicating access out of the defined range @sa @ref other_error for exceptions indicating other library errors @since version 3.0.0 */ class invalid_iterator : public exception { public: static invalid_iterator create(int id_, const std::string& what_arg) { std::string w = exception::name("invalid_iterator", id_) + what_arg; return invalid_iterator(id_, w.c_str()); } private: invalid_iterator(int id_, const char* what_arg) : exception(id_, what_arg) {} }; /*! @brief exception indicating executing a member function with a wrong type This exception is thrown in case of a type error; that is, a library function is executed on a JSON value whose type does not match the expected semantics. Exceptions have ids 3xx. name / id | example message | description ----------------------------- | --------------- | ------------------------- json.exception.type_error.301 | cannot create object from initializer list | To create an object from an initializer list, the initializer list must consist only of a list of pairs whose first element is a string. When this constraint is violated, an array is created instead. json.exception.type_error.302 | type must be object, but is array | During implicit or explicit value conversion, the JSON type must be compatible to the target type. For instance, a JSON string can only be converted into string types, but not into numbers or boolean types. json.exception.type_error.303 | incompatible ReferenceType for get_ref, actual type is object | To retrieve a reference to a value stored in a @ref basic_json object with @ref get_ref, the type of the reference must match the value type. For instance, for a JSON array, the @a ReferenceType must be @ref array_t&. json.exception.type_error.304 | cannot use at() with string | The @ref at() member functions can only be executed for certain JSON types. json.exception.type_error.305 | cannot use operator[] with string | The @ref operator[] member functions can only be executed for certain JSON types. json.exception.type_error.306 | cannot use value() with string | The @ref value() member functions can only be executed for certain JSON types. json.exception.type_error.307 | cannot use erase() with string | The @ref erase() member functions can only be executed for certain JSON types. json.exception.type_error.308 | cannot use push_back() with string | The @ref push_back() and @ref operator+= member functions can only be executed for certain JSON types. json.exception.type_error.309 | cannot use insert() with | The @ref insert() member functions can only be executed for certain JSON types. json.exception.type_error.310 | cannot use swap() with number | The @ref swap() member functions can only be executed for certain JSON types. json.exception.type_error.311 | cannot use emplace_back() with string | The @ref emplace_back() member function can only be executed for certain JSON types. json.exception.type_error.312 | cannot use update() with string | The @ref update() member functions can only be executed for certain JSON types. json.exception.type_error.313 | invalid value to unflatten | The @ref unflatten function converts an object whose keys are JSON Pointers back into an arbitrary nested JSON value. The JSON Pointers must not overlap, because then the resulting value would not be well defined. json.exception.type_error.314 | only objects can be unflattened | The @ref unflatten function only works for an object whose keys are JSON Pointers. json.exception.type_error.315 | values in object must be primitive | The @ref unflatten function only works for an object whose keys are JSON Pointers and whose values are primitive. json.exception.type_error.316 | invalid UTF-8 byte at index 10: 0x7E | The @ref dump function only works with UTF-8 encoded strings; that is, if you assign a `std::string` to a JSON value, make sure it is UTF-8 encoded. | @liveexample{The following code shows how a `type_error` exception can be caught.,type_error} @sa @ref exception for the base class of the library exceptions @sa @ref parse_error for exceptions indicating a parse error @sa @ref invalid_iterator for exceptions indicating errors with iterators @sa @ref out_of_range for exceptions indicating access out of the defined range @sa @ref other_error for exceptions indicating other library errors @since version 3.0.0 */ class type_error : public exception { public: static type_error create(int id_, const std::string& what_arg) { std::string w = exception::name("type_error", id_) + what_arg; return type_error(id_, w.c_str()); } private: type_error(int id_, const char* what_arg) : exception(id_, what_arg) {} }; /*! @brief exception indicating access out of the defined range This exception is thrown in case a library function is called on an input parameter that exceeds the expected range, for instance in case of array indices or nonexisting object keys. Exceptions have ids 4xx. name / id | example message | description ------------------------------- | --------------- | ------------------------- json.exception.out_of_range.401 | array index 3 is out of range | The provided array index @a i is larger than @a size-1. json.exception.out_of_range.402 | array index '-' (3) is out of range | The special array index `-` in a JSON Pointer never describes a valid element of the array, but the index past the end. That is, it can only be used to add elements at this position, but not to read it. json.exception.out_of_range.403 | key 'foo' not found | The provided key was not found in the JSON object. json.exception.out_of_range.404 | unresolved reference token 'foo' | A reference token in a JSON Pointer could not be resolved. json.exception.out_of_range.405 | JSON pointer has no parent | The JSON Patch operations 'remove' and 'add' can not be applied to the root element of the JSON value. json.exception.out_of_range.406 | number overflow parsing '10E1000' | A parsed number could not be stored as without changing it to NaN or INF. json.exception.out_of_range.407 | number overflow serializing '9223372036854775808' | UBJSON only supports integers numbers up to 9223372036854775807. | json.exception.out_of_range.408 | excessive array size: 8658170730974374167 | The size (following `#`) of an UBJSON array or object exceeds the maximal capacity. | @liveexample{The following code shows how an `out_of_range` exception can be caught.,out_of_range} @sa @ref exception for the base class of the library exceptions @sa @ref parse_error for exceptions indicating a parse error @sa @ref invalid_iterator for exceptions indicating errors with iterators @sa @ref type_error for exceptions indicating executing a member function with a wrong type @sa @ref other_error for exceptions indicating other library errors @since version 3.0.0 */ class out_of_range : public exception { public: static out_of_range create(int id_, const std::string& what_arg) { std::string w = exception::name("out_of_range", id_) + what_arg; return out_of_range(id_, w.c_str()); } private: out_of_range(int id_, const char* what_arg) : exception(id_, what_arg) {} }; /*! @brief exception indicating other library errors This exception is thrown in case of errors that cannot be classified with the other exception types. Exceptions have ids 5xx. name / id | example message | description ------------------------------ | --------------- | ------------------------- json.exception.other_error.501 | unsuccessful: {"op":"test","path":"/baz", "value":"bar"} | A JSON Patch operation 'test' failed. The unsuccessful operation is also printed. @sa @ref exception for the base class of the library exceptions @sa @ref parse_error for exceptions indicating a parse error @sa @ref invalid_iterator for exceptions indicating errors with iterators @sa @ref type_error for exceptions indicating executing a member function with a wrong type @sa @ref out_of_range for exceptions indicating access out of the defined range @liveexample{The following code shows how an `other_error` exception can be caught.,other_error} @since version 3.0.0 */ class other_error : public exception { public: static other_error create(int id_, const std::string& what_arg) { std::string w = exception::name("other_error", id_) + what_arg; return other_error(id_, w.c_str()); } private: other_error(int id_, const char* what_arg) : exception(id_, what_arg) {} }; } } avogadrolibs-1.100.0/thirdparty/nlohmann/detail/input/000077500000000000000000000000001474375334400227505ustar00rootroot00000000000000avogadrolibs-1.100.0/thirdparty/nlohmann/detail/input/binary_reader.hpp000066400000000000000000001357561474375334400263100ustar00rootroot00000000000000#pragma once #include // generate_n #include // array #include // assert #include // ldexp #include // size_t #include // uint8_t, uint16_t, uint32_t, uint64_t #include // snprintf #include // memcpy #include // back_inserter #include // numeric_limits #include // char_traits, string #include // make_pair, move #include #include #include #include #include #include namespace nlohmann { namespace detail { /////////////////// // binary reader // /////////////////// /*! @brief deserialization of CBOR, MessagePack, and UBJSON values */ template> class binary_reader { using number_integer_t = typename BasicJsonType::number_integer_t; using number_unsigned_t = typename BasicJsonType::number_unsigned_t; using number_float_t = typename BasicJsonType::number_float_t; using string_t = typename BasicJsonType::string_t; using json_sax_t = SAX; public: /*! @brief create a binary reader @param[in] adapter input adapter to read from */ explicit binary_reader(input_adapter_t adapter) : ia(std::move(adapter)) { (void)detail::is_sax_static_asserts {}; assert(ia); } /*! @param[in] format the binary format to parse @param[in] sax_ a SAX event processor @param[in] strict whether to expect the input to be consumed completed @return */ bool sax_parse(const input_format_t format, json_sax_t* sax_, const bool strict = true) { sax = sax_; bool result = false; switch (format) { case input_format_t::cbor: result = parse_cbor_internal(); break; case input_format_t::msgpack: result = parse_msgpack_internal(); break; case input_format_t::ubjson: result = parse_ubjson_internal(); break; // LCOV_EXCL_START default: assert(false); // LCOV_EXCL_STOP } // strict mode: next byte must be EOF if (result and strict) { if (format == input_format_t::ubjson) { get_ignore_noop(); } else { get(); } if (JSON_UNLIKELY(current != std::char_traits::eof())) { return sax->parse_error(chars_read, get_token_string(), parse_error::create(110, chars_read, "expected end of input")); } } return result; } /*! @brief determine system byte order @return true if and only if system's byte order is little endian @note from http://stackoverflow.com/a/1001328/266378 */ static constexpr bool little_endianess(int num = 1) noexcept { return (*reinterpret_cast(&num) == 1); } private: /*! @param[in] get_char whether a new character should be retrieved from the input (true, default) or whether the last read character should be considered instead @return whether a valid CBOR value was passed to the SAX parser */ bool parse_cbor_internal(const bool get_char = true) { switch (get_char ? get() : current) { // EOF case std::char_traits::eof(): return unexpect_eof(); // Integer 0x00..0x17 (0..23) case 0x00: case 0x01: case 0x02: case 0x03: case 0x04: case 0x05: case 0x06: case 0x07: case 0x08: case 0x09: case 0x0A: case 0x0B: case 0x0C: case 0x0D: case 0x0E: case 0x0F: case 0x10: case 0x11: case 0x12: case 0x13: case 0x14: case 0x15: case 0x16: case 0x17: return sax->number_unsigned(static_cast(current)); case 0x18: // Unsigned integer (one-byte uint8_t follows) { uint8_t number; return get_number(number) and sax->number_unsigned(number); } case 0x19: // Unsigned integer (two-byte uint16_t follows) { uint16_t number; return get_number(number) and sax->number_unsigned(number); } case 0x1A: // Unsigned integer (four-byte uint32_t follows) { uint32_t number; return get_number(number) and sax->number_unsigned(number); } case 0x1B: // Unsigned integer (eight-byte uint64_t follows) { uint64_t number; return get_number(number) and sax->number_unsigned(number); } // Negative integer -1-0x00..-1-0x17 (-1..-24) case 0x20: case 0x21: case 0x22: case 0x23: case 0x24: case 0x25: case 0x26: case 0x27: case 0x28: case 0x29: case 0x2A: case 0x2B: case 0x2C: case 0x2D: case 0x2E: case 0x2F: case 0x30: case 0x31: case 0x32: case 0x33: case 0x34: case 0x35: case 0x36: case 0x37: return sax->number_integer(static_cast(0x20 - 1 - current)); case 0x38: // Negative integer (one-byte uint8_t follows) { uint8_t number; return get_number(number) and sax->number_integer(static_cast(-1) - number); } case 0x39: // Negative integer -1-n (two-byte uint16_t follows) { uint16_t number; return get_number(number) and sax->number_integer(static_cast(-1) - number); } case 0x3A: // Negative integer -1-n (four-byte uint32_t follows) { uint32_t number; return get_number(number) and sax->number_integer(static_cast(-1) - number); } case 0x3B: // Negative integer -1-n (eight-byte uint64_t follows) { uint64_t number; return get_number(number) and sax->number_integer(static_cast(-1) - static_cast(number)); } // UTF-8 string (0x00..0x17 bytes follow) case 0x60: case 0x61: case 0x62: case 0x63: case 0x64: case 0x65: case 0x66: case 0x67: case 0x68: case 0x69: case 0x6A: case 0x6B: case 0x6C: case 0x6D: case 0x6E: case 0x6F: case 0x70: case 0x71: case 0x72: case 0x73: case 0x74: case 0x75: case 0x76: case 0x77: case 0x78: // UTF-8 string (one-byte uint8_t for n follows) case 0x79: // UTF-8 string (two-byte uint16_t for n follow) case 0x7A: // UTF-8 string (four-byte uint32_t for n follow) case 0x7B: // UTF-8 string (eight-byte uint64_t for n follow) case 0x7F: // UTF-8 string (indefinite length) { string_t s; return get_cbor_string(s) and sax->string(s); } // array (0x00..0x17 data items follow) case 0x80: case 0x81: case 0x82: case 0x83: case 0x84: case 0x85: case 0x86: case 0x87: case 0x88: case 0x89: case 0x8A: case 0x8B: case 0x8C: case 0x8D: case 0x8E: case 0x8F: case 0x90: case 0x91: case 0x92: case 0x93: case 0x94: case 0x95: case 0x96: case 0x97: return get_cbor_array(static_cast(current & 0x1F)); case 0x98: // array (one-byte uint8_t for n follows) { uint8_t len; return get_number(len) and get_cbor_array(static_cast(len)); } case 0x99: // array (two-byte uint16_t for n follow) { uint16_t len; return get_number(len) and get_cbor_array(static_cast(len)); } case 0x9A: // array (four-byte uint32_t for n follow) { uint32_t len; return get_number(len) and get_cbor_array(static_cast(len)); } case 0x9B: // array (eight-byte uint64_t for n follow) { uint64_t len; return get_number(len) and get_cbor_array(static_cast(len)); } case 0x9F: // array (indefinite length) return get_cbor_array(std::size_t(-1)); // map (0x00..0x17 pairs of data items follow) case 0xA0: case 0xA1: case 0xA2: case 0xA3: case 0xA4: case 0xA5: case 0xA6: case 0xA7: case 0xA8: case 0xA9: case 0xAA: case 0xAB: case 0xAC: case 0xAD: case 0xAE: case 0xAF: case 0xB0: case 0xB1: case 0xB2: case 0xB3: case 0xB4: case 0xB5: case 0xB6: case 0xB7: return get_cbor_object(static_cast(current & 0x1F)); case 0xB8: // map (one-byte uint8_t for n follows) { uint8_t len; return get_number(len) and get_cbor_object(static_cast(len)); } case 0xB9: // map (two-byte uint16_t for n follow) { uint16_t len; return get_number(len) and get_cbor_object(static_cast(len)); } case 0xBA: // map (four-byte uint32_t for n follow) { uint32_t len; return get_number(len) and get_cbor_object(static_cast(len)); } case 0xBB: // map (eight-byte uint64_t for n follow) { uint64_t len; return get_number(len) and get_cbor_object(static_cast(len)); } case 0xBF: // map (indefinite length) return get_cbor_object(std::size_t(-1)); case 0xF4: // false return sax->boolean(false); case 0xF5: // true return sax->boolean(true); case 0xF6: // null return sax->null(); case 0xF9: // Half-Precision Float (two-byte IEEE 754) { const int byte1 = get(); if (JSON_UNLIKELY(not unexpect_eof())) { return false; } const int byte2 = get(); if (JSON_UNLIKELY(not unexpect_eof())) { return false; } // code from RFC 7049, Appendix D, Figure 3: // As half-precision floating-point numbers were only added // to IEEE 754 in 2008, today's programming platforms often // still only have limited support for them. It is very // easy to include at least decoding support for them even // without such support. An example of a small decoder for // half-precision floating-point numbers in the C language // is shown in Fig. 3. const int half = (byte1 << 8) + byte2; const double val = [&half] { const int exp = (half >> 10) & 0x1F; const int mant = half & 0x3FF; assert(0 <= exp and exp <= 32); assert(0 <= mant and mant <= 1024); switch (exp) { case 0: return std::ldexp(mant, -24); case 31: return (mant == 0) ? std::numeric_limits::infinity() : std::numeric_limits::quiet_NaN(); default: return std::ldexp(mant + 1024, exp - 25); } }(); return sax->number_float((half & 0x8000) != 0 ? static_cast(-val) : static_cast(val), ""); } case 0xFA: // Single-Precision Float (four-byte IEEE 754) { float number; return get_number(number) and sax->number_float(static_cast(number), ""); } case 0xFB: // Double-Precision Float (eight-byte IEEE 754) { double number; return get_number(number) and sax->number_float(static_cast(number), ""); } default: // anything else (0xFF is handled inside the other types) { auto last_token = get_token_string(); return sax->parse_error(chars_read, last_token, parse_error::create(112, chars_read, "error reading CBOR; last byte: 0x" + last_token)); } } } /*! @return whether a valid MessagePack value was passed to the SAX parser */ bool parse_msgpack_internal() { switch (get()) { // EOF case std::char_traits::eof(): return unexpect_eof(); // positive fixint case 0x00: case 0x01: case 0x02: case 0x03: case 0x04: case 0x05: case 0x06: case 0x07: case 0x08: case 0x09: case 0x0A: case 0x0B: case 0x0C: case 0x0D: case 0x0E: case 0x0F: case 0x10: case 0x11: case 0x12: case 0x13: case 0x14: case 0x15: case 0x16: case 0x17: case 0x18: case 0x19: case 0x1A: case 0x1B: case 0x1C: case 0x1D: case 0x1E: case 0x1F: case 0x20: case 0x21: case 0x22: case 0x23: case 0x24: case 0x25: case 0x26: case 0x27: case 0x28: case 0x29: case 0x2A: case 0x2B: case 0x2C: case 0x2D: case 0x2E: case 0x2F: case 0x30: case 0x31: case 0x32: case 0x33: case 0x34: case 0x35: case 0x36: case 0x37: case 0x38: case 0x39: case 0x3A: case 0x3B: case 0x3C: case 0x3D: case 0x3E: case 0x3F: case 0x40: case 0x41: case 0x42: case 0x43: case 0x44: case 0x45: case 0x46: case 0x47: case 0x48: case 0x49: case 0x4A: case 0x4B: case 0x4C: case 0x4D: case 0x4E: case 0x4F: case 0x50: case 0x51: case 0x52: case 0x53: case 0x54: case 0x55: case 0x56: case 0x57: case 0x58: case 0x59: case 0x5A: case 0x5B: case 0x5C: case 0x5D: case 0x5E: case 0x5F: case 0x60: case 0x61: case 0x62: case 0x63: case 0x64: case 0x65: case 0x66: case 0x67: case 0x68: case 0x69: case 0x6A: case 0x6B: case 0x6C: case 0x6D: case 0x6E: case 0x6F: case 0x70: case 0x71: case 0x72: case 0x73: case 0x74: case 0x75: case 0x76: case 0x77: case 0x78: case 0x79: case 0x7A: case 0x7B: case 0x7C: case 0x7D: case 0x7E: case 0x7F: return sax->number_unsigned(static_cast(current)); // fixmap case 0x80: case 0x81: case 0x82: case 0x83: case 0x84: case 0x85: case 0x86: case 0x87: case 0x88: case 0x89: case 0x8A: case 0x8B: case 0x8C: case 0x8D: case 0x8E: case 0x8F: return get_msgpack_object(static_cast(current & 0x0F)); // fixarray case 0x90: case 0x91: case 0x92: case 0x93: case 0x94: case 0x95: case 0x96: case 0x97: case 0x98: case 0x99: case 0x9A: case 0x9B: case 0x9C: case 0x9D: case 0x9E: case 0x9F: return get_msgpack_array(static_cast(current & 0x0F)); // fixstr case 0xA0: case 0xA1: case 0xA2: case 0xA3: case 0xA4: case 0xA5: case 0xA6: case 0xA7: case 0xA8: case 0xA9: case 0xAA: case 0xAB: case 0xAC: case 0xAD: case 0xAE: case 0xAF: case 0xB0: case 0xB1: case 0xB2: case 0xB3: case 0xB4: case 0xB5: case 0xB6: case 0xB7: case 0xB8: case 0xB9: case 0xBA: case 0xBB: case 0xBC: case 0xBD: case 0xBE: case 0xBF: { string_t s; return get_msgpack_string(s) and sax->string(s); } case 0xC0: // nil return sax->null(); case 0xC2: // false return sax->boolean(false); case 0xC3: // true return sax->boolean(true); case 0xCA: // float 32 { float number; return get_number(number) and sax->number_float(static_cast(number), ""); } case 0xCB: // float 64 { double number; return get_number(number) and sax->number_float(static_cast(number), ""); } case 0xCC: // uint 8 { uint8_t number; return get_number(number) and sax->number_unsigned(number); } case 0xCD: // uint 16 { uint16_t number; return get_number(number) and sax->number_unsigned(number); } case 0xCE: // uint 32 { uint32_t number; return get_number(number) and sax->number_unsigned(number); } case 0xCF: // uint 64 { uint64_t number; return get_number(number) and sax->number_unsigned(number); } case 0xD0: // int 8 { int8_t number; return get_number(number) and sax->number_integer(number); } case 0xD1: // int 16 { int16_t number; return get_number(number) and sax->number_integer(number); } case 0xD2: // int 32 { int32_t number; return get_number(number) and sax->number_integer(number); } case 0xD3: // int 64 { int64_t number; return get_number(number) and sax->number_integer(number); } case 0xD9: // str 8 case 0xDA: // str 16 case 0xDB: // str 32 { string_t s; return get_msgpack_string(s) and sax->string(s); } case 0xDC: // array 16 { uint16_t len; return get_number(len) and get_msgpack_array(static_cast(len)); } case 0xDD: // array 32 { uint32_t len; return get_number(len) and get_msgpack_array(static_cast(len)); } case 0xDE: // map 16 { uint16_t len; return get_number(len) and get_msgpack_object(static_cast(len)); } case 0xDF: // map 32 { uint32_t len; return get_number(len) and get_msgpack_object(static_cast(len)); } // negative fixint case 0xE0: case 0xE1: case 0xE2: case 0xE3: case 0xE4: case 0xE5: case 0xE6: case 0xE7: case 0xE8: case 0xE9: case 0xEA: case 0xEB: case 0xEC: case 0xED: case 0xEE: case 0xEF: case 0xF0: case 0xF1: case 0xF2: case 0xF3: case 0xF4: case 0xF5: case 0xF6: case 0xF7: case 0xF8: case 0xF9: case 0xFA: case 0xFB: case 0xFC: case 0xFD: case 0xFE: case 0xFF: return sax->number_integer(static_cast(current)); default: // anything else { auto last_token = get_token_string(); return sax->parse_error(chars_read, last_token, parse_error::create(112, chars_read, "error reading MessagePack; last byte: 0x" + last_token)); } } } /*! @param[in] get_char whether a new character should be retrieved from the input (true, default) or whether the last read character should be considered instead @return whether a valid UBJSON value was passed to the SAX parser */ bool parse_ubjson_internal(const bool get_char = true) { return get_ubjson_value(get_char ? get_ignore_noop() : current); } /*! @brief get next character from the input This function provides the interface to the used input adapter. It does not throw in case the input reached EOF, but returns a -'ve valued `std::char_traits::eof()` in that case. @return character read from the input */ int get() { ++chars_read; return (current = ia->get_character()); } /*! @return character read from the input after ignoring all 'N' entries */ int get_ignore_noop() { do { get(); } while (current == 'N'); return current; } /* @brief read a number from the input @tparam NumberType the type of the number @param[out] result number of type @a NumberType @return whether conversion completed @note This function needs to respect the system's endianness, because bytes in CBOR, MessagePack, and UBJSON are stored in network order (big endian) and therefore need reordering on little endian systems. */ template bool get_number(NumberType& result) { // step 1: read input into array with system's byte order std::array vec; for (std::size_t i = 0; i < sizeof(NumberType); ++i) { get(); if (JSON_UNLIKELY(not unexpect_eof())) { return false; } // reverse byte order prior to conversion if necessary if (is_little_endian) { vec[sizeof(NumberType) - i - 1] = static_cast(current); } else { vec[i] = static_cast(current); // LCOV_EXCL_LINE } } // step 2: convert array into number of type T and return std::memcpy(&result, vec.data(), sizeof(NumberType)); return true; } /*! @brief create a string by reading characters from the input @tparam NumberType the type of the number @param[in] len number of characters to read @param[out] string created by reading @a len bytes @return whether string creation completed @note We can not reserve @a len bytes for the result, because @a len may be too large. Usually, @ref unexpect_eof() detects the end of the input before we run out of string memory. */ template bool get_string(const NumberType len, string_t& result) { bool success = true; std::generate_n(std::back_inserter(result), len, [this, &success]() { get(); if (JSON_UNLIKELY(not unexpect_eof())) { success = false; } return static_cast(current); }); return success; } /*! @brief reads a CBOR string This function first reads starting bytes to determine the expected string length and then copies this number of bytes into a string. Additionally, CBOR's strings with indefinite lengths are supported. @param[out] result created string @return whether string creation completed */ bool get_cbor_string(string_t& result) { if (JSON_UNLIKELY(not unexpect_eof())) { return false; } switch (current) { // UTF-8 string (0x00..0x17 bytes follow) case 0x60: case 0x61: case 0x62: case 0x63: case 0x64: case 0x65: case 0x66: case 0x67: case 0x68: case 0x69: case 0x6A: case 0x6B: case 0x6C: case 0x6D: case 0x6E: case 0x6F: case 0x70: case 0x71: case 0x72: case 0x73: case 0x74: case 0x75: case 0x76: case 0x77: { return get_string(current & 0x1F, result); } case 0x78: // UTF-8 string (one-byte uint8_t for n follows) { uint8_t len; return get_number(len) and get_string(len, result); } case 0x79: // UTF-8 string (two-byte uint16_t for n follow) { uint16_t len; return get_number(len) and get_string(len, result); } case 0x7A: // UTF-8 string (four-byte uint32_t for n follow) { uint32_t len; return get_number(len) and get_string(len, result); } case 0x7B: // UTF-8 string (eight-byte uint64_t for n follow) { uint64_t len; return get_number(len) and get_string(len, result); } case 0x7F: // UTF-8 string (indefinite length) { while (get() != 0xFF) { string_t chunk; if (not get_cbor_string(chunk)) { return false; } result.append(chunk); } return true; } default: { auto last_token = get_token_string(); return sax->parse_error(chars_read, last_token, parse_error::create(113, chars_read, "expected a CBOR string; last byte: 0x" + last_token)); } } } /*! @param[in] len the length of the array or std::size_t(-1) for an array of indefinite size @return whether array creation completed */ bool get_cbor_array(const std::size_t len) { if (JSON_UNLIKELY(not sax->start_array(len))) { return false; } if (len != std::size_t(-1)) for (std::size_t i = 0; i < len; ++i) { if (JSON_UNLIKELY(not parse_cbor_internal())) { return false; } } else { while (get() != 0xFF) { if (JSON_UNLIKELY(not parse_cbor_internal(false))) { return false; } } } return sax->end_array(); } /*! @param[in] len the length of the object or std::size_t(-1) for an object of indefinite size @return whether object creation completed */ bool get_cbor_object(const std::size_t len) { if (not JSON_UNLIKELY(sax->start_object(len))) { return false; } string_t key; if (len != std::size_t(-1)) { for (std::size_t i = 0; i < len; ++i) { get(); if (JSON_UNLIKELY(not get_cbor_string(key) or not sax->key(key))) { return false; } if (JSON_UNLIKELY(not parse_cbor_internal())) { return false; } key.clear(); } } else { while (get() != 0xFF) { if (JSON_UNLIKELY(not get_cbor_string(key) or not sax->key(key))) { return false; } if (JSON_UNLIKELY(not parse_cbor_internal())) { return false; } key.clear(); } } return sax->end_object(); } /*! @brief reads a MessagePack string This function first reads starting bytes to determine the expected string length and then copies this number of bytes into a string. @param[out] result created string @return whether string creation completed */ bool get_msgpack_string(string_t& result) { if (JSON_UNLIKELY(not unexpect_eof())) { return false; } switch (current) { // fixstr case 0xA0: case 0xA1: case 0xA2: case 0xA3: case 0xA4: case 0xA5: case 0xA6: case 0xA7: case 0xA8: case 0xA9: case 0xAA: case 0xAB: case 0xAC: case 0xAD: case 0xAE: case 0xAF: case 0xB0: case 0xB1: case 0xB2: case 0xB3: case 0xB4: case 0xB5: case 0xB6: case 0xB7: case 0xB8: case 0xB9: case 0xBA: case 0xBB: case 0xBC: case 0xBD: case 0xBE: case 0xBF: { return get_string(current & 0x1F, result); } case 0xD9: // str 8 { uint8_t len; return get_number(len) and get_string(len, result); } case 0xDA: // str 16 { uint16_t len; return get_number(len) and get_string(len, result); } case 0xDB: // str 32 { uint32_t len; return get_number(len) and get_string(len, result); } default: { auto last_token = get_token_string(); return sax->parse_error(chars_read, last_token, parse_error::create(113, chars_read, "expected a MessagePack string; last byte: 0x" + last_token)); } } } /*! @param[in] len the length of the array @return whether array creation completed */ bool get_msgpack_array(const std::size_t len) { if (JSON_UNLIKELY(not sax->start_array(len))) { return false; } for (std::size_t i = 0; i < len; ++i) { if (JSON_UNLIKELY(not parse_msgpack_internal())) { return false; } } return sax->end_array(); } /*! @param[in] len the length of the object @return whether object creation completed */ bool get_msgpack_object(const std::size_t len) { if (JSON_UNLIKELY(not sax->start_object(len))) { return false; } string_t key; for (std::size_t i = 0; i < len; ++i) { get(); if (JSON_UNLIKELY(not get_msgpack_string(key) or not sax->key(key))) { return false; } if (JSON_UNLIKELY(not parse_msgpack_internal())) { return false; } key.clear(); } return sax->end_object(); } /*! @brief reads a UBJSON string This function is either called after reading the 'S' byte explicitly indicating a string, or in case of an object key where the 'S' byte can be left out. @param[out] result created string @param[in] get_char whether a new character should be retrieved from the input (true, default) or whether the last read character should be considered instead @return whether string creation completed */ bool get_ubjson_string(string_t& result, const bool get_char = true) { if (get_char) { get(); // TODO: may we ignore N here? } if (JSON_UNLIKELY(not unexpect_eof())) { return false; } switch (current) { case 'U': { uint8_t len; return get_number(len) and get_string(len, result); } case 'i': { int8_t len; return get_number(len) and get_string(len, result); } case 'I': { int16_t len; return get_number(len) and get_string(len, result); } case 'l': { int32_t len; return get_number(len) and get_string(len, result); } case 'L': { int64_t len; return get_number(len) and get_string(len, result); } default: auto last_token = get_token_string(); return sax->parse_error(chars_read, last_token, parse_error::create(113, chars_read, "expected a UBJSON string; last byte: 0x" + last_token)); } } /*! @param[out] result determined size @return whether size determination completed */ bool get_ubjson_size_value(std::size_t& result) { switch (get_ignore_noop()) { case 'U': { uint8_t number; if (JSON_UNLIKELY(not get_number(number))) { return false; } result = static_cast(number); return true; } case 'i': { int8_t number; if (JSON_UNLIKELY(not get_number(number))) { return false; } result = static_cast(number); return true; } case 'I': { int16_t number; if (JSON_UNLIKELY(not get_number(number))) { return false; } result = static_cast(number); return true; } case 'l': { int32_t number; if (JSON_UNLIKELY(not get_number(number))) { return false; } result = static_cast(number); return true; } case 'L': { int64_t number; if (JSON_UNLIKELY(not get_number(number))) { return false; } result = static_cast(number); return true; } default: { auto last_token = get_token_string(); return sax->parse_error(chars_read, last_token, parse_error::create(113, chars_read, "byte after '#' must denote a number type; last byte: 0x" + last_token)); } } } /*! @brief determine the type and size for a container In the optimized UBJSON format, a type and a size can be provided to allow for a more compact representation. @param[out] result pair of the size and the type @return whether pair creation completed */ bool get_ubjson_size_type(std::pair& result) { result.first = string_t::npos; // size result.second = 0; // type get_ignore_noop(); if (current == '$') { result.second = get(); // must not ignore 'N', because 'N' maybe the type if (JSON_UNLIKELY(not unexpect_eof())) { return false; } get_ignore_noop(); if (JSON_UNLIKELY(current != '#')) { if (JSON_UNLIKELY(not unexpect_eof())) { return false; } auto last_token = get_token_string(); return sax->parse_error(chars_read, last_token, parse_error::create(112, chars_read, "expected '#' after UBJSON type information; last byte: 0x" + last_token)); } return get_ubjson_size_value(result.first); } else if (current == '#') { return get_ubjson_size_value(result.first); } return true; } /*! @param prefix the previously read or set type prefix @return whether value creation completed */ bool get_ubjson_value(const int prefix) { switch (prefix) { case std::char_traits::eof(): // EOF return unexpect_eof(); case 'T': // true return sax->boolean(true); case 'F': // false return sax->boolean(false); case 'Z': // null return sax->null(); case 'U': { uint8_t number; return get_number(number) and sax->number_unsigned(number); } case 'i': { int8_t number; return get_number(number) and sax->number_integer(number); } case 'I': { int16_t number; return get_number(number) and sax->number_integer(number); } case 'l': { int32_t number; return get_number(number) and sax->number_integer(number); } case 'L': { int64_t number; return get_number(number) and sax->number_integer(number); } case 'd': { float number; return get_number(number) and sax->number_float(static_cast(number), ""); } case 'D': { double number; return get_number(number) and sax->number_float(static_cast(number), ""); } case 'C': // char { get(); if (JSON_UNLIKELY(not unexpect_eof())) { return false; } if (JSON_UNLIKELY(current > 127)) { auto last_token = get_token_string(); return sax->parse_error(chars_read, last_token, parse_error::create(113, chars_read, "byte after 'C' must be in range 0x00..0x7F; last byte: 0x" + last_token)); } string_t s(1, static_cast(current)); return sax->string(s); } case 'S': // string { string_t s; return get_ubjson_string(s) and sax->string(s); } case '[': // array return get_ubjson_array(); case '{': // object return get_ubjson_object(); default: // anything else { auto last_token = get_token_string(); return sax->parse_error(chars_read, last_token, parse_error::create(112, chars_read, "error reading UBJSON; last byte: 0x" + last_token)); } } } /*! @return whether array creation completed */ bool get_ubjson_array() { std::pair size_and_type; if (JSON_UNLIKELY(not get_ubjson_size_type(size_and_type))) { return false; } if (size_and_type.first != string_t::npos) { if (JSON_UNLIKELY(not sax->start_array(size_and_type.first))) { return false; } if (size_and_type.second != 0) { if (size_and_type.second != 'N') { for (std::size_t i = 0; i < size_and_type.first; ++i) { if (JSON_UNLIKELY(not get_ubjson_value(size_and_type.second))) { return false; } } } } else { for (std::size_t i = 0; i < size_and_type.first; ++i) { if (JSON_UNLIKELY(not parse_ubjson_internal())) { return false; } } } } else { if (JSON_UNLIKELY(not sax->start_array(std::size_t(-1)))) { return false; } while (current != ']') { if (JSON_UNLIKELY(not parse_ubjson_internal(false))) { return false; } get_ignore_noop(); } } return sax->end_array(); } /*! @return whether object creation completed */ bool get_ubjson_object() { std::pair size_and_type; if (JSON_UNLIKELY(not get_ubjson_size_type(size_and_type))) { return false; } string_t key; if (size_and_type.first != string_t::npos) { if (JSON_UNLIKELY(not sax->start_object(size_and_type.first))) { return false; } if (size_and_type.second != 0) { for (std::size_t i = 0; i < size_and_type.first; ++i) { if (JSON_UNLIKELY(not get_ubjson_string(key) or not sax->key(key))) { return false; } if (JSON_UNLIKELY(not get_ubjson_value(size_and_type.second))) { return false; } key.clear(); } } else { for (std::size_t i = 0; i < size_and_type.first; ++i) { if (JSON_UNLIKELY(not get_ubjson_string(key) or not sax->key(key))) { return false; } if (JSON_UNLIKELY(not parse_ubjson_internal())) { return false; } key.clear(); } } } else { if (JSON_UNLIKELY(not sax->start_object(std::size_t(-1)))) { return false; } while (current != '}') { if (JSON_UNLIKELY(not get_ubjson_string(key, false) or not sax->key(key))) { return false; } if (JSON_UNLIKELY(not parse_ubjson_internal())) { return false; } get_ignore_noop(); key.clear(); } } return sax->end_object(); } /*! @return whether the last read character is not EOF */ bool unexpect_eof() const { if (JSON_UNLIKELY(current == std::char_traits::eof())) { return sax->parse_error(chars_read, "", parse_error::create(110, chars_read, "unexpected end of input")); } return true; } /*! @return a string representation of the last read byte */ std::string get_token_string() const { char cr[3]; snprintf(cr, 3, "%.2hhX", static_cast(current)); return std::string{cr}; } private: /// input adapter input_adapter_t ia = nullptr; /// the current character int current = std::char_traits::eof(); /// the number of characters read std::size_t chars_read = 0; /// whether we can assume little endianess const bool is_little_endian = little_endianess(); /// the SAX parser json_sax_t* sax = nullptr; }; } } avogadrolibs-1.100.0/thirdparty/nlohmann/detail/input/input_adapters.hpp000066400000000000000000000317451474375334400265150ustar00rootroot00000000000000#pragma once #include // assert #include // size_t #include // strlen #include // istream #include // begin, end, iterator_traits, random_access_iterator_tag, distance, next #include // shared_ptr, make_shared, addressof #include // accumulate #include // string, char_traits #include // enable_if, is_base_of, is_pointer, is_integral, remove_pointer #include // pair, declval #include namespace nlohmann { namespace detail { /// the supported input formats enum class input_format_t { json, cbor, msgpack, ubjson }; //////////////////// // input adapters // //////////////////// /*! @brief abstract input adapter interface Produces a stream of std::char_traits::int_type characters from a std::istream, a buffer, or some other input type. Accepts the return of exactly one non-EOF character for future input. The int_type characters returned consist of all valid char values as positive values (typically unsigned char), plus an EOF value outside that range, specified by the value of the function std::char_traits::eof(). This value is typically -1, but could be any arbitrary value which is not a valid char value. */ struct input_adapter_protocol { /// get a character [0,255] or std::char_traits::eof(). virtual std::char_traits::int_type get_character() = 0; virtual ~input_adapter_protocol() = default; }; /// a type to simplify interfaces using input_adapter_t = std::shared_ptr; /*! Input adapter for a (caching) istream. Ignores a UFT Byte Order Mark at beginning of input. Does not support changing the underlying std::streambuf in mid-input. Maintains underlying std::istream and std::streambuf to support subsequent use of standard std::istream operations to process any input characters following those used in parsing the JSON input. Clears the std::istream flags; any input errors (e.g., EOF) will be detected by the first subsequent call for input from the std::istream. */ class input_stream_adapter : public input_adapter_protocol { public: ~input_stream_adapter() override { // clear stream flags; we use underlying streambuf I/O, do not // maintain ifstream flags is.clear(); } explicit input_stream_adapter(std::istream& i) : is(i), sb(*i.rdbuf()) {} // delete because of pointer members input_stream_adapter(const input_stream_adapter&) = delete; input_stream_adapter& operator=(input_stream_adapter&) = delete; // std::istream/std::streambuf use std::char_traits::to_int_type, to // ensure that std::char_traits::eof() and the character 0xFF do not // end up as the same value, eg. 0xFFFFFFFF. std::char_traits::int_type get_character() override { return sb.sbumpc(); } private: /// the associated input stream std::istream& is; std::streambuf& sb; }; /// input adapter for buffer input class input_buffer_adapter : public input_adapter_protocol { public: input_buffer_adapter(const char* b, const std::size_t l) : cursor(b), limit(b + l) {} // delete because of pointer members input_buffer_adapter(const input_buffer_adapter&) = delete; input_buffer_adapter& operator=(input_buffer_adapter&) = delete; std::char_traits::int_type get_character() noexcept override { if (JSON_LIKELY(cursor < limit)) { return std::char_traits::to_int_type(*(cursor++)); } return std::char_traits::eof(); } private: /// pointer to the current character const char* cursor; /// pointer past the last character const char* const limit; }; template struct wide_string_input_helper { // UTF-32 static void fill_buffer(const WideStringType& str, size_t& current_wchar, std::array::int_type, 4>& utf8_bytes, size_t& utf8_bytes_index, size_t& utf8_bytes_filled) { utf8_bytes_index = 0; if (current_wchar == str.size()) { utf8_bytes[0] = std::char_traits::eof(); utf8_bytes_filled = 1; } else { // get the current character const int wc = static_cast(str[current_wchar++]); // UTF-32 to UTF-8 encoding if (wc < 0x80) { utf8_bytes[0] = wc; utf8_bytes_filled = 1; } else if (wc <= 0x7FF) { utf8_bytes[0] = 0xC0 | ((wc >> 6) & 0x1F); utf8_bytes[1] = 0x80 | (wc & 0x3F); utf8_bytes_filled = 2; } else if (wc <= 0xFFFF) { utf8_bytes[0] = 0xE0 | ((wc >> 12) & 0x0F); utf8_bytes[1] = 0x80 | ((wc >> 6) & 0x3F); utf8_bytes[2] = 0x80 | (wc & 0x3F); utf8_bytes_filled = 3; } else if (wc <= 0x10FFFF) { utf8_bytes[0] = 0xF0 | ((wc >> 18) & 0x07); utf8_bytes[1] = 0x80 | ((wc >> 12) & 0x3F); utf8_bytes[2] = 0x80 | ((wc >> 6) & 0x3F); utf8_bytes[3] = 0x80 | (wc & 0x3F); utf8_bytes_filled = 4; } else { // unknown character utf8_bytes[0] = wc; utf8_bytes_filled = 1; } } } }; template struct wide_string_input_helper { // UTF-16 static void fill_buffer(const WideStringType& str, size_t& current_wchar, std::array::int_type, 4>& utf8_bytes, size_t& utf8_bytes_index, size_t& utf8_bytes_filled) { utf8_bytes_index = 0; if (current_wchar == str.size()) { utf8_bytes[0] = std::char_traits::eof(); utf8_bytes_filled = 1; } else { // get the current character const int wc = static_cast(str[current_wchar++]); // UTF-16 to UTF-8 encoding if (wc < 0x80) { utf8_bytes[0] = wc; utf8_bytes_filled = 1; } else if (wc <= 0x7FF) { utf8_bytes[0] = 0xC0 | ((wc >> 6)); utf8_bytes[1] = 0x80 | (wc & 0x3F); utf8_bytes_filled = 2; } else if (0xD800 > wc or wc >= 0xE000) { utf8_bytes[0] = 0xE0 | ((wc >> 12)); utf8_bytes[1] = 0x80 | ((wc >> 6) & 0x3F); utf8_bytes[2] = 0x80 | (wc & 0x3F); utf8_bytes_filled = 3; } else { if (current_wchar < str.size()) { const int wc2 = static_cast(str[current_wchar++]); const int charcode = 0x10000 + (((wc & 0x3FF) << 10) | (wc2 & 0x3FF)); utf8_bytes[0] = 0xf0 | (charcode >> 18); utf8_bytes[1] = 0x80 | ((charcode >> 12) & 0x3F); utf8_bytes[2] = 0x80 | ((charcode >> 6) & 0x3F); utf8_bytes[3] = 0x80 | (charcode & 0x3F); utf8_bytes_filled = 4; } else { // unknown character ++current_wchar; utf8_bytes[0] = wc; utf8_bytes_filled = 1; } } } } }; template class wide_string_input_adapter : public input_adapter_protocol { public: explicit wide_string_input_adapter(const WideStringType& w) : str(w) {} std::char_traits::int_type get_character() noexcept override { // check if buffer needs to be filled if (utf8_bytes_index == utf8_bytes_filled) { fill_buffer(); assert(utf8_bytes_filled > 0); assert(utf8_bytes_index == 0); } // use buffer assert(utf8_bytes_filled > 0); assert(utf8_bytes_index < utf8_bytes_filled); return utf8_bytes[utf8_bytes_index++]; } private: template void fill_buffer() { wide_string_input_helper::fill_buffer(str, current_wchar, utf8_bytes, utf8_bytes_index, utf8_bytes_filled); } /// the wstring to process const WideStringType& str; /// index of the current wchar in str std::size_t current_wchar = 0; /// a buffer for UTF-8 bytes std::array::int_type, 4> utf8_bytes = {{0, 0, 0, 0}}; /// index to the utf8_codes array for the next valid byte std::size_t utf8_bytes_index = 0; /// number of valid bytes in the utf8_codes array std::size_t utf8_bytes_filled = 0; }; class input_adapter { public: // native support /// input adapter for input stream input_adapter(std::istream& i) : ia(std::make_shared(i)) {} /// input adapter for input stream input_adapter(std::istream&& i) : ia(std::make_shared(i)) {} input_adapter(const std::wstring& ws) : ia(std::make_shared>(ws)) {} input_adapter(const std::u16string& ws) : ia(std::make_shared>(ws)) {} input_adapter(const std::u32string& ws) : ia(std::make_shared>(ws)) {} /// input adapter for buffer template::value and std::is_integral::type>::value and sizeof(typename std::remove_pointer::type) == 1, int>::type = 0> input_adapter(CharT b, std::size_t l) : ia(std::make_shared(reinterpret_cast(b), l)) {} // derived support /// input adapter for string literal template::value and std::is_integral::type>::value and sizeof(typename std::remove_pointer::type) == 1, int>::type = 0> input_adapter(CharT b) : input_adapter(reinterpret_cast(b), std::strlen(reinterpret_cast(b))) {} /// input adapter for iterator range with contiguous storage template::iterator_category, std::random_access_iterator_tag>::value, int>::type = 0> input_adapter(IteratorType first, IteratorType last) { #ifndef NDEBUG // assertion to check that the iterator range is indeed contiguous, // see http://stackoverflow.com/a/35008842/266378 for more discussion const auto is_contiguous = std::accumulate( first, last, std::pair(true, 0), [&first](std::pair res, decltype(*first) val) { res.first &= (val == *(std::next(std::addressof(*first), res.second++))); return res; }).first; assert(is_contiguous); #endif // assertion to check that each element is 1 byte long static_assert( sizeof(typename std::iterator_traits::value_type) == 1, "each element in the iterator range must have the size of 1 byte"); const auto len = static_cast(std::distance(first, last)); if (JSON_LIKELY(len > 0)) { // there is at least one element: use the address of first ia = std::make_shared(reinterpret_cast(&(*first)), len); } else { // the address of first cannot be used: use nullptr ia = std::make_shared(nullptr, len); } } /// input adapter for array template input_adapter(T (&array)[N]) : input_adapter(std::begin(array), std::end(array)) {} /// input adapter for contiguous container template::value and std::is_base_of()))>::iterator_category>::value, int>::type = 0> input_adapter(const ContiguousContainer& c) : input_adapter(std::begin(c), std::end(c)) {} operator input_adapter_t() { return ia; } private: /// the actual adapter input_adapter_t ia = nullptr; }; } } avogadrolibs-1.100.0/thirdparty/nlohmann/detail/input/json_sax.hpp000066400000000000000000000471531474375334400253170ustar00rootroot00000000000000#pragma once #include #include #include #include #include namespace nlohmann { /*! @brief SAX interface This class describes the SAX interface used by @ref nlohmann::json::sax_parse. Each function is called in different situations while the input is parsed. The boolean return value informs the parser whether to continue processing the input. */ template struct json_sax { /// type for (signed) integers using number_integer_t = typename BasicJsonType::number_integer_t; /// type for unsigned integers using number_unsigned_t = typename BasicJsonType::number_unsigned_t; /// type for floating-point numbers using number_float_t = typename BasicJsonType::number_float_t; /// type for strings using string_t = typename BasicJsonType::string_t; /*! @brief a null value was read @return whether parsing should proceed */ virtual bool null() = 0; /*! @brief a boolean value was read @param[in] val boolean value @return whether parsing should proceed */ virtual bool boolean(bool val) = 0; /*! @brief an integer number was read @param[in] val integer value @return whether parsing should proceed */ virtual bool number_integer(number_integer_t val) = 0; /*! @brief an unsigned integer number was read @param[in] val unsigned integer value @return whether parsing should proceed */ virtual bool number_unsigned(number_unsigned_t val) = 0; /*! @brief an floating-point number was read @param[in] val floating-point value @param[in] s raw token value @return whether parsing should proceed */ virtual bool number_float(number_float_t val, const string_t& s) = 0; /*! @brief a string was read @param[in] val string value @return whether parsing should proceed @note It is safe to move the passed string. */ virtual bool string(string_t& val) = 0; /*! @brief the beginning of an object was read @param[in] elements number of object elements or -1 if unknown @return whether parsing should proceed @note binary formats may report the number of elements */ virtual bool start_object(std::size_t elements) = 0; /*! @brief an object key was read @param[in] val object key @return whether parsing should proceed @note It is safe to move the passed string. */ virtual bool key(string_t& val) = 0; /*! @brief the end of an object was read @return whether parsing should proceed */ virtual bool end_object() = 0; /*! @brief the beginning of an array was read @param[in] elements number of array elements or -1 if unknown @return whether parsing should proceed @note binary formats may report the number of elements */ virtual bool start_array(std::size_t elements) = 0; /*! @brief the end of an array was read @return whether parsing should proceed */ virtual bool end_array() = 0; /*! @brief a parse error occurred @param[in] position the position in the input where the error occurs @param[in] last_token the last read token @param[in] error_msg a detailed error message @return whether parsing should proceed (must return false) */ virtual bool parse_error(std::size_t position, const std::string& last_token, const detail::exception& ex) = 0; virtual ~json_sax() = default; }; namespace detail { /*! @brief SAX implementation to create a JSON value from SAX events This class implements the @ref json_sax interface and processes the SAX events to create a JSON value which makes it basically a DOM parser. The structure or hierarchy of the JSON value is managed by the stack `ref_stack` which contains a pointer to the respective array or object for each recursion depth. After successful parsing, the value that is passed by reference to the constructor contains the parsed value. @tparam BasicJsonType the JSON type */ template class json_sax_dom_parser { public: using number_integer_t = typename BasicJsonType::number_integer_t; using number_unsigned_t = typename BasicJsonType::number_unsigned_t; using number_float_t = typename BasicJsonType::number_float_t; using string_t = typename BasicJsonType::string_t; /*! @param[in, out] r reference to a JSON value that is manipulated while parsing @param[in] allow_exceptions_ whether parse errors yield exceptions */ explicit json_sax_dom_parser(BasicJsonType& r, const bool allow_exceptions_ = true) : root(r), allow_exceptions(allow_exceptions_) {} bool null() { handle_value(nullptr); return true; } bool boolean(bool val) { handle_value(val); return true; } bool number_integer(number_integer_t val) { handle_value(val); return true; } bool number_unsigned(number_unsigned_t val) { handle_value(val); return true; } bool number_float(number_float_t val, const string_t&) { handle_value(val); return true; } bool string(string_t& val) { handle_value(val); return true; } bool start_object(std::size_t len) { ref_stack.push_back(handle_value(BasicJsonType::value_t::object)); if (JSON_UNLIKELY(len != std::size_t(-1) and len > ref_stack.back()->max_size())) { JSON_THROW(out_of_range::create(408, "excessive object size: " + std::to_string(len))); } return true; } bool key(string_t& val) { // add null at given key and store the reference for later object_element = &(ref_stack.back()->m_value.object->operator[](val)); return true; } bool end_object() { ref_stack.pop_back(); return true; } bool start_array(std::size_t len) { ref_stack.push_back(handle_value(BasicJsonType::value_t::array)); if (JSON_UNLIKELY(len != std::size_t(-1) and len > ref_stack.back()->max_size())) { JSON_THROW(out_of_range::create(408, "excessive array size: " + std::to_string(len))); } return true; } bool end_array() { ref_stack.pop_back(); return true; } bool parse_error(std::size_t, const std::string&, const detail::exception& ex) { errored = true; if (allow_exceptions) { // determine the proper exception type from the id switch ((ex.id / 100) % 100) { case 1: JSON_THROW(*reinterpret_cast(&ex)); case 4: JSON_THROW(*reinterpret_cast(&ex)); // LCOV_EXCL_START case 2: JSON_THROW(*reinterpret_cast(&ex)); case 3: JSON_THROW(*reinterpret_cast(&ex)); case 5: JSON_THROW(*reinterpret_cast(&ex)); default: assert(false); // LCOV_EXCL_STOP } } return false; } constexpr bool is_errored() const { return errored; } private: /*! @invariant If the ref stack is empty, then the passed value will be the new root. @invariant If the ref stack contains a value, then it is an array or an object to which we can add elements */ template BasicJsonType* handle_value(Value&& v) { if (ref_stack.empty()) { root = BasicJsonType(std::forward(v)); return &root; } else { assert(ref_stack.back()->is_array() or ref_stack.back()->is_object()); if (ref_stack.back()->is_array()) { ref_stack.back()->m_value.array->emplace_back(std::forward(v)); return &(ref_stack.back()->m_value.array->back()); } else { assert(object_element); *object_element = BasicJsonType(std::forward(v)); return object_element; } } } /// the parsed JSON value BasicJsonType& root; /// stack to model hierarchy of values std::vector ref_stack; /// helper to hold the reference for the next object element BasicJsonType* object_element = nullptr; /// whether a syntax error occurred bool errored = false; /// whether to throw exceptions in case of errors const bool allow_exceptions = true; }; template class json_sax_dom_callback_parser { public: using number_integer_t = typename BasicJsonType::number_integer_t; using number_unsigned_t = typename BasicJsonType::number_unsigned_t; using number_float_t = typename BasicJsonType::number_float_t; using string_t = typename BasicJsonType::string_t; using parser_callback_t = typename BasicJsonType::parser_callback_t; using parse_event_t = typename BasicJsonType::parse_event_t; json_sax_dom_callback_parser(BasicJsonType& r, const parser_callback_t cb, const bool allow_exceptions_ = true) : root(r), callback(cb), allow_exceptions(allow_exceptions_) { keep_stack.push_back(true); } bool null() { handle_value(nullptr); return true; } bool boolean(bool val) { handle_value(val); return true; } bool number_integer(number_integer_t val) { handle_value(val); return true; } bool number_unsigned(number_unsigned_t val) { handle_value(val); return true; } bool number_float(number_float_t val, const string_t&) { handle_value(val); return true; } bool string(string_t& val) { handle_value(val); return true; } bool start_object(std::size_t len) { // check callback for object start const bool keep = callback(static_cast(ref_stack.size()), parse_event_t::object_start, discarded); keep_stack.push_back(keep); auto val = handle_value(BasicJsonType::value_t::object, true); ref_stack.push_back(val.second); // check object limit if (ref_stack.back()) { if (JSON_UNLIKELY(len != std::size_t(-1) and len > ref_stack.back()->max_size())) { JSON_THROW(out_of_range::create(408, "excessive object size: " + std::to_string(len))); } } return true; } bool key(string_t& val) { BasicJsonType k = BasicJsonType(val); // check callback for key const bool keep = callback(static_cast(ref_stack.size()), parse_event_t::key, k); key_keep_stack.push_back(keep); // add discarded value at given key and store the reference for later if (keep and ref_stack.back()) { object_element = &(ref_stack.back()->m_value.object->operator[](val) = discarded); } return true; } bool end_object() { if (ref_stack.back()) { if (not callback(static_cast(ref_stack.size()) - 1, parse_event_t::object_end, *ref_stack.back())) { // discard object *ref_stack.back() = discarded; } } assert(not ref_stack.empty()); assert(not keep_stack.empty()); ref_stack.pop_back(); keep_stack.pop_back(); if (not ref_stack.empty() and ref_stack.back()) { // remove discarded value if (ref_stack.back()->is_object()) { for (auto it = ref_stack.back()->begin(); it != ref_stack.back()->end(); ++it) { if (it->is_discarded()) { ref_stack.back()->erase(it); break; } } } } return true; } bool start_array(std::size_t len) { const bool keep = callback(static_cast(ref_stack.size()), parse_event_t::array_start, discarded); keep_stack.push_back(keep); auto val = handle_value(BasicJsonType::value_t::array, true); ref_stack.push_back(val.second); // check array limit if (ref_stack.back()) { if (JSON_UNLIKELY(len != std::size_t(-1) and len > ref_stack.back()->max_size())) { JSON_THROW(out_of_range::create(408, "excessive array size: " + std::to_string(len))); } } return true; } bool end_array() { bool keep = true; if (ref_stack.back()) { keep = callback(static_cast(ref_stack.size()) - 1, parse_event_t::array_end, *ref_stack.back()); if (not keep) { // discard array *ref_stack.back() = discarded; } } assert(not ref_stack.empty()); assert(not keep_stack.empty()); ref_stack.pop_back(); keep_stack.pop_back(); // remove discarded value if (not keep and not ref_stack.empty()) { if (ref_stack.back()->is_array()) { ref_stack.back()->m_value.array->pop_back(); } } return true; } bool parse_error(std::size_t, const std::string&, const detail::exception& ex) { errored = true; if (allow_exceptions) { // determine the proper exception type from the id switch ((ex.id / 100) % 100) { case 1: JSON_THROW(*reinterpret_cast(&ex)); case 4: JSON_THROW(*reinterpret_cast(&ex)); // LCOV_EXCL_START case 2: JSON_THROW(*reinterpret_cast(&ex)); case 3: JSON_THROW(*reinterpret_cast(&ex)); case 5: JSON_THROW(*reinterpret_cast(&ex)); default: assert(false); // LCOV_EXCL_STOP } } return false; } constexpr bool is_errored() const { return errored; } private: /*! @param[in] v value to add to the JSON value we build during parsing @param[in] skip_callback whether we should skip calling the callback function; this is required after start_array() and start_object() SAX events, because otherwise we would call the callback function with an empty array or object, respectively. @invariant If the ref stack is empty, then the passed value will be the new root. @invariant If the ref stack contains a value, then it is an array or an object to which we can add elements @return pair of boolean (whether value should be kept) and pointer (to the passed value in the ref_stack hierarchy; nullptr if not kept) */ template std::pair handle_value(Value&& v, const bool skip_callback = false) { assert(not keep_stack.empty()); // do not handle this value if we know it would be added to a discarded // container if (not keep_stack.back()) { return {false, nullptr}; } // create value auto value = BasicJsonType(std::forward(v)); // check callback const bool keep = skip_callback or callback(static_cast(ref_stack.size()), parse_event_t::value, value); // do not handle this value if we just learnt it shall be discarded if (not keep) { return {false, nullptr}; } if (ref_stack.empty()) { root = std::move(value); return {true, &root}; } else { // skip this value if we already decided to skip the parent // (https://github.com/nlohmann/json/issues/971#issuecomment-413678360) if (not ref_stack.back()) { return {false, nullptr}; } assert(ref_stack.back()->is_array() or ref_stack.back()->is_object()); if (ref_stack.back()->is_array()) { ref_stack.back()->m_value.array->push_back(std::move(value)); return {true, &(ref_stack.back()->m_value.array->back())}; } else { // check if we should store an element for the current key assert(not key_keep_stack.empty()); const bool store_element = key_keep_stack.back(); key_keep_stack.pop_back(); if (not store_element) { return {false, nullptr}; } assert(object_element); *object_element = std::move(value); return {true, object_element}; } } } /// the parsed JSON value BasicJsonType& root; /// stack to model hierarchy of values std::vector ref_stack; /// stack to manage which values to keep std::vector keep_stack; /// stack to manage which object keys to keep std::vector key_keep_stack; /// helper to hold the reference for the next object element BasicJsonType* object_element = nullptr; /// whether a syntax error occurred bool errored = false; /// callback function const parser_callback_t callback = nullptr; /// whether to throw exceptions in case of errors const bool allow_exceptions = true; /// a discarded value for the callback BasicJsonType discarded = BasicJsonType::value_t::discarded; }; template class json_sax_acceptor { public: using number_integer_t = typename BasicJsonType::number_integer_t; using number_unsigned_t = typename BasicJsonType::number_unsigned_t; using number_float_t = typename BasicJsonType::number_float_t; using string_t = typename BasicJsonType::string_t; bool null() { return true; } bool boolean(bool) { return true; } bool number_integer(number_integer_t) { return true; } bool number_unsigned(number_unsigned_t) { return true; } bool number_float(number_float_t, const string_t&) { return true; } bool string(string_t&) { return true; } bool start_object(std::size_t = std::size_t(-1)) { return true; } bool key(string_t&) { return true; } bool end_object() { return true; } bool start_array(std::size_t = std::size_t(-1)) { return true; } bool end_array() { return true; } bool parse_error(std::size_t, const std::string&, const detail::exception&) { return false; } }; } } avogadrolibs-1.100.0/thirdparty/nlohmann/detail/input/lexer.hpp000066400000000000000000001217051474375334400246060ustar00rootroot00000000000000#pragma once #include // localeconv #include // size_t #include // strtof, strtod, strtold, strtoll, strtoull #include // snprintf #include // initializer_list #include // char_traits, string #include // vector #include #include namespace nlohmann { namespace detail { /////////// // lexer // /////////// /*! @brief lexical analysis This class organizes the lexical analysis during JSON deserialization. */ template class lexer { using number_integer_t = typename BasicJsonType::number_integer_t; using number_unsigned_t = typename BasicJsonType::number_unsigned_t; using number_float_t = typename BasicJsonType::number_float_t; using string_t = typename BasicJsonType::string_t; public: /// token types for the parser enum class token_type { uninitialized, ///< indicating the scanner is uninitialized literal_true, ///< the `true` literal literal_false, ///< the `false` literal literal_null, ///< the `null` literal value_string, ///< a string -- use get_string() for actual value value_unsigned, ///< an unsigned integer -- use get_number_unsigned() for actual value value_integer, ///< a signed integer -- use get_number_integer() for actual value value_float, ///< an floating point number -- use get_number_float() for actual value begin_array, ///< the character for array begin `[` begin_object, ///< the character for object begin `{` end_array, ///< the character for array end `]` end_object, ///< the character for object end `}` name_separator, ///< the name separator `:` value_separator, ///< the value separator `,` parse_error, ///< indicating a parse error end_of_input, ///< indicating the end of the input buffer literal_or_value ///< a literal or the begin of a value (only for diagnostics) }; /// return name of values of type token_type (only used for errors) static const char* token_type_name(const token_type t) noexcept { switch (t) { case token_type::uninitialized: return ""; case token_type::literal_true: return "true literal"; case token_type::literal_false: return "false literal"; case token_type::literal_null: return "null literal"; case token_type::value_string: return "string literal"; case lexer::token_type::value_unsigned: case lexer::token_type::value_integer: case lexer::token_type::value_float: return "number literal"; case token_type::begin_array: return "'['"; case token_type::begin_object: return "'{'"; case token_type::end_array: return "']'"; case token_type::end_object: return "'}'"; case token_type::name_separator: return "':'"; case token_type::value_separator: return "','"; case token_type::parse_error: return ""; case token_type::end_of_input: return "end of input"; case token_type::literal_or_value: return "'[', '{', or a literal"; // LCOV_EXCL_START default: // catch non-enum values return "unknown token"; // LCOV_EXCL_STOP } } explicit lexer(detail::input_adapter_t&& adapter) : ia(std::move(adapter)), decimal_point_char(get_decimal_point()) {} // delete because of pointer members lexer(const lexer&) = delete; lexer& operator=(lexer&) = delete; private: ///////////////////// // locales ///////////////////// /// return the locale-dependent decimal point static char get_decimal_point() noexcept { const auto loc = localeconv(); assert(loc != nullptr); return (loc->decimal_point == nullptr) ? '.' : *(loc->decimal_point); } ///////////////////// // scan functions ///////////////////// /*! @brief get codepoint from 4 hex characters following `\u` For input "\u c1 c2 c3 c4" the codepoint is: (c1 * 0x1000) + (c2 * 0x0100) + (c3 * 0x0010) + c4 = (c1 << 12) + (c2 << 8) + (c3 << 4) + (c4 << 0) Furthermore, the possible characters '0'..'9', 'A'..'F', and 'a'..'f' must be converted to the integers 0x0..0x9, 0xA..0xF, 0xA..0xF, resp. The conversion is done by subtracting the offset (0x30, 0x37, and 0x57) between the ASCII value of the character and the desired integer value. @return codepoint (0x0000..0xFFFF) or -1 in case of an error (e.g. EOF or non-hex character) */ int get_codepoint() { // this function only makes sense after reading `\u` assert(current == 'u'); int codepoint = 0; const auto factors = { 12, 8, 4, 0 }; for (const auto factor : factors) { get(); if (current >= '0' and current <= '9') { codepoint += ((current - 0x30) << factor); } else if (current >= 'A' and current <= 'F') { codepoint += ((current - 0x37) << factor); } else if (current >= 'a' and current <= 'f') { codepoint += ((current - 0x57) << factor); } else { return -1; } } assert(0x0000 <= codepoint and codepoint <= 0xFFFF); return codepoint; } /*! @brief check if the next byte(s) are inside a given range Adds the current byte and, for each passed range, reads a new byte and checks if it is inside the range. If a violation was detected, set up an error message and return false. Otherwise, return true. @param[in] ranges list of integers; interpreted as list of pairs of inclusive lower and upper bound, respectively @pre The passed list @a ranges must have 2, 4, or 6 elements; that is, 1, 2, or 3 pairs. This precondition is enforced by an assertion. @return true if and only if no range violation was detected */ bool next_byte_in_range(std::initializer_list ranges) { assert(ranges.size() == 2 or ranges.size() == 4 or ranges.size() == 6); add(current); for (auto range = ranges.begin(); range != ranges.end(); ++range) { get(); if (JSON_LIKELY(*range <= current and current <= *(++range))) { add(current); } else { error_message = "invalid string: ill-formed UTF-8 byte"; return false; } } return true; } /*! @brief scan a string literal This function scans a string according to Sect. 7 of RFC 7159. While scanning, bytes are escaped and copied into buffer token_buffer. Then the function returns successfully, token_buffer is *not* null-terminated (as it may contain \0 bytes), and token_buffer.size() is the number of bytes in the string. @return token_type::value_string if string could be successfully scanned, token_type::parse_error otherwise @note In case of errors, variable error_message contains a textual description. */ token_type scan_string() { // reset token_buffer (ignore opening quote) reset(); // we entered the function by reading an open quote assert(current == '\"'); while (true) { // get next character switch (get()) { // end of file while parsing string case std::char_traits::eof(): { error_message = "invalid string: missing closing quote"; return token_type::parse_error; } // closing quote case '\"': { return token_type::value_string; } // escapes case '\\': { switch (get()) { // quotation mark case '\"': add('\"'); break; // reverse solidus case '\\': add('\\'); break; // solidus case '/': add('/'); break; // backspace case 'b': add('\b'); break; // form feed case 'f': add('\f'); break; // line feed case 'n': add('\n'); break; // carriage return case 'r': add('\r'); break; // tab case 't': add('\t'); break; // unicode escapes case 'u': { const int codepoint1 = get_codepoint(); int codepoint = codepoint1; // start with codepoint1 if (JSON_UNLIKELY(codepoint1 == -1)) { error_message = "invalid string: '\\u' must be followed by 4 hex digits"; return token_type::parse_error; } // check if code point is a high surrogate if (0xD800 <= codepoint1 and codepoint1 <= 0xDBFF) { // expect next \uxxxx entry if (JSON_LIKELY(get() == '\\' and get() == 'u')) { const int codepoint2 = get_codepoint(); if (JSON_UNLIKELY(codepoint2 == -1)) { error_message = "invalid string: '\\u' must be followed by 4 hex digits"; return token_type::parse_error; } // check if codepoint2 is a low surrogate if (JSON_LIKELY(0xDC00 <= codepoint2 and codepoint2 <= 0xDFFF)) { // overwrite codepoint codepoint = // high surrogate occupies the most significant 22 bits (codepoint1 << 10) // low surrogate occupies the least significant 15 bits + codepoint2 // there is still the 0xD800, 0xDC00 and 0x10000 noise // in the result so we have to subtract with: // (0xD800 << 10) + DC00 - 0x10000 = 0x35FDC00 - 0x35FDC00; } else { error_message = "invalid string: surrogate U+DC00..U+DFFF must be followed by U+DC00..U+DFFF"; return token_type::parse_error; } } else { error_message = "invalid string: surrogate U+DC00..U+DFFF must be followed by U+DC00..U+DFFF"; return token_type::parse_error; } } else { if (JSON_UNLIKELY(0xDC00 <= codepoint1 and codepoint1 <= 0xDFFF)) { error_message = "invalid string: surrogate U+DC00..U+DFFF must follow U+D800..U+DBFF"; return token_type::parse_error; } } // result of the above calculation yields a proper codepoint assert(0x00 <= codepoint and codepoint <= 0x10FFFF); // translate codepoint into bytes if (codepoint < 0x80) { // 1-byte characters: 0xxxxxxx (ASCII) add(codepoint); } else if (codepoint <= 0x7FF) { // 2-byte characters: 110xxxxx 10xxxxxx add(0xC0 | (codepoint >> 6)); add(0x80 | (codepoint & 0x3F)); } else if (codepoint <= 0xFFFF) { // 3-byte characters: 1110xxxx 10xxxxxx 10xxxxxx add(0xE0 | (codepoint >> 12)); add(0x80 | ((codepoint >> 6) & 0x3F)); add(0x80 | (codepoint & 0x3F)); } else { // 4-byte characters: 11110xxx 10xxxxxx 10xxxxxx 10xxxxxx add(0xF0 | (codepoint >> 18)); add(0x80 | ((codepoint >> 12) & 0x3F)); add(0x80 | ((codepoint >> 6) & 0x3F)); add(0x80 | (codepoint & 0x3F)); } break; } // other characters after escape default: error_message = "invalid string: forbidden character after backslash"; return token_type::parse_error; } break; } // invalid control characters case 0x00: case 0x01: case 0x02: case 0x03: case 0x04: case 0x05: case 0x06: case 0x07: case 0x08: case 0x09: case 0x0A: case 0x0B: case 0x0C: case 0x0D: case 0x0E: case 0x0F: case 0x10: case 0x11: case 0x12: case 0x13: case 0x14: case 0x15: case 0x16: case 0x17: case 0x18: case 0x19: case 0x1A: case 0x1B: case 0x1C: case 0x1D: case 0x1E: case 0x1F: { error_message = "invalid string: control character must be escaped"; return token_type::parse_error; } // U+0020..U+007F (except U+0022 (quote) and U+005C (backspace)) case 0x20: case 0x21: case 0x23: case 0x24: case 0x25: case 0x26: case 0x27: case 0x28: case 0x29: case 0x2A: case 0x2B: case 0x2C: case 0x2D: case 0x2E: case 0x2F: case 0x30: case 0x31: case 0x32: case 0x33: case 0x34: case 0x35: case 0x36: case 0x37: case 0x38: case 0x39: case 0x3A: case 0x3B: case 0x3C: case 0x3D: case 0x3E: case 0x3F: case 0x40: case 0x41: case 0x42: case 0x43: case 0x44: case 0x45: case 0x46: case 0x47: case 0x48: case 0x49: case 0x4A: case 0x4B: case 0x4C: case 0x4D: case 0x4E: case 0x4F: case 0x50: case 0x51: case 0x52: case 0x53: case 0x54: case 0x55: case 0x56: case 0x57: case 0x58: case 0x59: case 0x5A: case 0x5B: case 0x5D: case 0x5E: case 0x5F: case 0x60: case 0x61: case 0x62: case 0x63: case 0x64: case 0x65: case 0x66: case 0x67: case 0x68: case 0x69: case 0x6A: case 0x6B: case 0x6C: case 0x6D: case 0x6E: case 0x6F: case 0x70: case 0x71: case 0x72: case 0x73: case 0x74: case 0x75: case 0x76: case 0x77: case 0x78: case 0x79: case 0x7A: case 0x7B: case 0x7C: case 0x7D: case 0x7E: case 0x7F: { add(current); break; } // U+0080..U+07FF: bytes C2..DF 80..BF case 0xC2: case 0xC3: case 0xC4: case 0xC5: case 0xC6: case 0xC7: case 0xC8: case 0xC9: case 0xCA: case 0xCB: case 0xCC: case 0xCD: case 0xCE: case 0xCF: case 0xD0: case 0xD1: case 0xD2: case 0xD3: case 0xD4: case 0xD5: case 0xD6: case 0xD7: case 0xD8: case 0xD9: case 0xDA: case 0xDB: case 0xDC: case 0xDD: case 0xDE: case 0xDF: { if (JSON_UNLIKELY(not next_byte_in_range({0x80, 0xBF}))) { return token_type::parse_error; } break; } // U+0800..U+0FFF: bytes E0 A0..BF 80..BF case 0xE0: { if (JSON_UNLIKELY(not (next_byte_in_range({0xA0, 0xBF, 0x80, 0xBF})))) { return token_type::parse_error; } break; } // U+1000..U+CFFF: bytes E1..EC 80..BF 80..BF // U+E000..U+FFFF: bytes EE..EF 80..BF 80..BF case 0xE1: case 0xE2: case 0xE3: case 0xE4: case 0xE5: case 0xE6: case 0xE7: case 0xE8: case 0xE9: case 0xEA: case 0xEB: case 0xEC: case 0xEE: case 0xEF: { if (JSON_UNLIKELY(not (next_byte_in_range({0x80, 0xBF, 0x80, 0xBF})))) { return token_type::parse_error; } break; } // U+D000..U+D7FF: bytes ED 80..9F 80..BF case 0xED: { if (JSON_UNLIKELY(not (next_byte_in_range({0x80, 0x9F, 0x80, 0xBF})))) { return token_type::parse_error; } break; } // U+10000..U+3FFFF F0 90..BF 80..BF 80..BF case 0xF0: { if (JSON_UNLIKELY(not (next_byte_in_range({0x90, 0xBF, 0x80, 0xBF, 0x80, 0xBF})))) { return token_type::parse_error; } break; } // U+40000..U+FFFFF F1..F3 80..BF 80..BF 80..BF case 0xF1: case 0xF2: case 0xF3: { if (JSON_UNLIKELY(not (next_byte_in_range({0x80, 0xBF, 0x80, 0xBF, 0x80, 0xBF})))) { return token_type::parse_error; } break; } // U+100000..U+10FFFF F4 80..8F 80..BF 80..BF case 0xF4: { if (JSON_UNLIKELY(not (next_byte_in_range({0x80, 0x8F, 0x80, 0xBF, 0x80, 0xBF})))) { return token_type::parse_error; } break; } // remaining bytes (80..C1 and F5..FF) are ill-formed default: { error_message = "invalid string: ill-formed UTF-8 byte"; return token_type::parse_error; } } } } static void strtof(float& f, const char* str, char** endptr) noexcept { f = std::strtof(str, endptr); } static void strtof(double& f, const char* str, char** endptr) noexcept { f = std::strtod(str, endptr); } static void strtof(long double& f, const char* str, char** endptr) noexcept { f = std::strtold(str, endptr); } /*! @brief scan a number literal This function scans a string according to Sect. 6 of RFC 7159. The function is realized with a deterministic finite state machine derived from the grammar described in RFC 7159. Starting in state "init", the input is read and used to determined the next state. Only state "done" accepts the number. State "error" is a trap state to model errors. In the table below, "anything" means any character but the ones listed before. state | 0 | 1-9 | e E | + | - | . | anything ---------|----------|----------|----------|---------|---------|----------|----------- init | zero | any1 | [error] | [error] | minus | [error] | [error] minus | zero | any1 | [error] | [error] | [error] | [error] | [error] zero | done | done | exponent | done | done | decimal1 | done any1 | any1 | any1 | exponent | done | done | decimal1 | done decimal1 | decimal2 | [error] | [error] | [error] | [error] | [error] | [error] decimal2 | decimal2 | decimal2 | exponent | done | done | done | done exponent | any2 | any2 | [error] | sign | sign | [error] | [error] sign | any2 | any2 | [error] | [error] | [error] | [error] | [error] any2 | any2 | any2 | done | done | done | done | done The state machine is realized with one label per state (prefixed with "scan_number_") and `goto` statements between them. The state machine contains cycles, but any cycle can be left when EOF is read. Therefore, the function is guaranteed to terminate. During scanning, the read bytes are stored in token_buffer. This string is then converted to a signed integer, an unsigned integer, or a floating-point number. @return token_type::value_unsigned, token_type::value_integer, or token_type::value_float if number could be successfully scanned, token_type::parse_error otherwise @note The scanner is independent of the current locale. Internally, the locale's decimal point is used instead of `.` to work with the locale-dependent converters. */ token_type scan_number() { // reset token_buffer to store the number's bytes reset(); // the type of the parsed number; initially set to unsigned; will be // changed if minus sign, decimal point or exponent is read token_type number_type = token_type::value_unsigned; // state (init): we just found out we need to scan a number switch (current) { case '-': { add(current); goto scan_number_minus; } case '0': { add(current); goto scan_number_zero; } case '1': case '2': case '3': case '4': case '5': case '6': case '7': case '8': case '9': { add(current); goto scan_number_any1; } // LCOV_EXCL_START default: { // all other characters are rejected outside scan_number() assert(false); } // LCOV_EXCL_STOP } scan_number_minus: // state: we just parsed a leading minus sign number_type = token_type::value_integer; switch (get()) { case '0': { add(current); goto scan_number_zero; } case '1': case '2': case '3': case '4': case '5': case '6': case '7': case '8': case '9': { add(current); goto scan_number_any1; } default: { error_message = "invalid number; expected digit after '-'"; return token_type::parse_error; } } scan_number_zero: // state: we just parse a zero (maybe with a leading minus sign) switch (get()) { case '.': { add(decimal_point_char); goto scan_number_decimal1; } case 'e': case 'E': { add(current); goto scan_number_exponent; } default: goto scan_number_done; } scan_number_any1: // state: we just parsed a number 0-9 (maybe with a leading minus sign) switch (get()) { case '0': case '1': case '2': case '3': case '4': case '5': case '6': case '7': case '8': case '9': { add(current); goto scan_number_any1; } case '.': { add(decimal_point_char); goto scan_number_decimal1; } case 'e': case 'E': { add(current); goto scan_number_exponent; } default: goto scan_number_done; } scan_number_decimal1: // state: we just parsed a decimal point number_type = token_type::value_float; switch (get()) { case '0': case '1': case '2': case '3': case '4': case '5': case '6': case '7': case '8': case '9': { add(current); goto scan_number_decimal2; } default: { error_message = "invalid number; expected digit after '.'"; return token_type::parse_error; } } scan_number_decimal2: // we just parsed at least one number after a decimal point switch (get()) { case '0': case '1': case '2': case '3': case '4': case '5': case '6': case '7': case '8': case '9': { add(current); goto scan_number_decimal2; } case 'e': case 'E': { add(current); goto scan_number_exponent; } default: goto scan_number_done; } scan_number_exponent: // we just parsed an exponent number_type = token_type::value_float; switch (get()) { case '+': case '-': { add(current); goto scan_number_sign; } case '0': case '1': case '2': case '3': case '4': case '5': case '6': case '7': case '8': case '9': { add(current); goto scan_number_any2; } default: { error_message = "invalid number; expected '+', '-', or digit after exponent"; return token_type::parse_error; } } scan_number_sign: // we just parsed an exponent sign switch (get()) { case '0': case '1': case '2': case '3': case '4': case '5': case '6': case '7': case '8': case '9': { add(current); goto scan_number_any2; } default: { error_message = "invalid number; expected digit after exponent sign"; return token_type::parse_error; } } scan_number_any2: // we just parsed a number after the exponent or exponent sign switch (get()) { case '0': case '1': case '2': case '3': case '4': case '5': case '6': case '7': case '8': case '9': { add(current); goto scan_number_any2; } default: goto scan_number_done; } scan_number_done: // unget the character after the number (we only read it to know that // we are done scanning a number) unget(); char* endptr = nullptr; errno = 0; // try to parse integers first and fall back to floats if (number_type == token_type::value_unsigned) { const auto x = std::strtoull(token_buffer.data(), &endptr, 10); // we checked the number format before assert(endptr == token_buffer.data() + token_buffer.size()); if (errno == 0) { value_unsigned = static_cast(x); if (value_unsigned == x) { return token_type::value_unsigned; } } } else if (number_type == token_type::value_integer) { const auto x = std::strtoll(token_buffer.data(), &endptr, 10); // we checked the number format before assert(endptr == token_buffer.data() + token_buffer.size()); if (errno == 0) { value_integer = static_cast(x); if (value_integer == x) { return token_type::value_integer; } } } // this code is reached if we parse a floating-point number or if an // integer conversion above failed strtof(value_float, token_buffer.data(), &endptr); // we checked the number format before assert(endptr == token_buffer.data() + token_buffer.size()); return token_type::value_float; } /*! @param[in] literal_text the literal text to expect @param[in] length the length of the passed literal text @param[in] return_type the token type to return on success */ token_type scan_literal(const char* literal_text, const std::size_t length, token_type return_type) { assert(current == literal_text[0]); for (std::size_t i = 1; i < length; ++i) { if (JSON_UNLIKELY(get() != literal_text[i])) { error_message = "invalid literal"; return token_type::parse_error; } } return return_type; } ///////////////////// // input management ///////////////////// /// reset token_buffer; current character is beginning of token void reset() noexcept { token_buffer.clear(); token_string.clear(); token_string.push_back(std::char_traits::to_char_type(current)); } /* @brief get next character from the input This function provides the interface to the used input adapter. It does not throw in case the input reached EOF, but returns a `std::char_traits::eof()` in that case. Stores the scanned characters for use in error messages. @return character read from the input */ std::char_traits::int_type get() { ++chars_read; if (next_unget) { // just reset the next_unget variable and work with current next_unget = false; } else { current = ia->get_character(); } if (JSON_LIKELY(current != std::char_traits::eof())) { token_string.push_back(std::char_traits::to_char_type(current)); } return current; } /*! @brief unget current character (read it again on next get) We implement unget by setting variable next_unget to true. The input is not changed - we just simulate ungetting by modifying chars_read and token_string. The next call to get() will behave as if the unget character is read again. */ void unget() { next_unget = true; --chars_read; if (JSON_LIKELY(current != std::char_traits::eof())) { assert(token_string.size() != 0); token_string.pop_back(); } } /// add a character to token_buffer void add(int c) { token_buffer.push_back(std::char_traits::to_char_type(c)); } public: ///////////////////// // value getters ///////////////////// /// return integer value constexpr number_integer_t get_number_integer() const noexcept { return value_integer; } /// return unsigned integer value constexpr number_unsigned_t get_number_unsigned() const noexcept { return value_unsigned; } /// return floating-point value constexpr number_float_t get_number_float() const noexcept { return value_float; } /// return current string value (implicitly resets the token; useful only once) string_t& get_string() { return token_buffer; } ///////////////////// // diagnostics ///////////////////// /// return position of last read token constexpr std::size_t get_position() const noexcept { return chars_read; } /// return the last read token (for errors only). Will never contain EOF /// (an arbitrary value that is not a valid char value, often -1), because /// 255 may legitimately occur. May contain NUL, which should be escaped. std::string get_token_string() const { // escape control characters std::string result; for (const auto c : token_string) { if ('\x00' <= c and c <= '\x1F') { // escape control characters char cs[9]; snprintf(cs, 9, "", static_cast(c)); result += cs; } else { // add character as is result.push_back(c); } } return result; } /// return syntax error message constexpr const char* get_error_message() const noexcept { return error_message; } ///////////////////// // actual scanner ///////////////////// /*! @brief skip the UTF-8 byte order mark @return true iff there is no BOM or the correct BOM has been skipped */ bool skip_bom() { if (get() == 0xEF) { if (get() == 0xBB and get() == 0xBF) { // we completely parsed the BOM return true; } else { // after reading 0xEF, an unexpected character followed return false; } } else { // the first character is not the beginning of the BOM; unget it to // process is later unget(); return true; } } token_type scan() { // initially, skip the BOM if (chars_read == 0 and not skip_bom()) { error_message = "invalid BOM; must be 0xEF 0xBB 0xBF if given"; return token_type::parse_error; } // read next character and ignore whitespace do { get(); } while (current == ' ' or current == '\t' or current == '\n' or current == '\r'); switch (current) { // structural characters case '[': return token_type::begin_array; case ']': return token_type::end_array; case '{': return token_type::begin_object; case '}': return token_type::end_object; case ':': return token_type::name_separator; case ',': return token_type::value_separator; // literals case 't': return scan_literal("true", 4, token_type::literal_true); case 'f': return scan_literal("false", 5, token_type::literal_false); case 'n': return scan_literal("null", 4, token_type::literal_null); // string case '\"': return scan_string(); // number case '-': case '0': case '1': case '2': case '3': case '4': case '5': case '6': case '7': case '8': case '9': return scan_number(); // end of input (the null byte is needed when parsing from // string literals) case '\0': case std::char_traits::eof(): return token_type::end_of_input; // error default: error_message = "invalid literal"; return token_type::parse_error; } } private: /// input adapter detail::input_adapter_t ia = nullptr; /// the current character std::char_traits::int_type current = std::char_traits::eof(); /// whether the next get() call should just return current bool next_unget = false; /// the number of characters read std::size_t chars_read = 0; /// raw input token string (for error messages) std::vector token_string {}; /// buffer for variable-length tokens (numbers, strings) string_t token_buffer {}; /// a description of occurred lexer errors const char* error_message = ""; // number values number_integer_t value_integer = 0; number_unsigned_t value_unsigned = 0; number_float_t value_float = 0; /// the decimal point const char decimal_point_char = '.'; }; } } avogadrolibs-1.100.0/thirdparty/nlohmann/detail/input/parser.hpp000066400000000000000000000434451474375334400247670ustar00rootroot00000000000000#pragma once #include // assert #include // isfinite #include // uint8_t #include // function #include // string #include // move #include #include #include #include #include #include #include namespace nlohmann { namespace detail { //////////// // parser // //////////// /*! @brief syntax analysis This class implements a recursive decent parser. */ template class parser { using number_integer_t = typename BasicJsonType::number_integer_t; using number_unsigned_t = typename BasicJsonType::number_unsigned_t; using number_float_t = typename BasicJsonType::number_float_t; using string_t = typename BasicJsonType::string_t; using lexer_t = lexer; using token_type = typename lexer_t::token_type; public: enum class parse_event_t : uint8_t { /// the parser read `{` and started to process a JSON object object_start, /// the parser read `}` and finished processing a JSON object object_end, /// the parser read `[` and started to process a JSON array array_start, /// the parser read `]` and finished processing a JSON array array_end, /// the parser read a key of a value in an object key, /// the parser finished reading a JSON value value }; using parser_callback_t = std::function; /// a parser reading from an input adapter explicit parser(detail::input_adapter_t&& adapter, const parser_callback_t cb = nullptr, const bool allow_exceptions_ = true) : callback(cb), m_lexer(std::move(adapter)), allow_exceptions(allow_exceptions_) { // read first token get_token(); } /*! @brief public parser interface @param[in] strict whether to expect the last token to be EOF @param[in,out] result parsed JSON value @throw parse_error.101 in case of an unexpected token @throw parse_error.102 if to_unicode fails or surrogate error @throw parse_error.103 if to_unicode fails */ void parse(const bool strict, BasicJsonType& result) { if (callback) { json_sax_dom_callback_parser sdp(result, callback, allow_exceptions); sax_parse_internal(&sdp); result.assert_invariant(); // in strict mode, input must be completely read if (strict and (get_token() != token_type::end_of_input)) { sdp.parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), exception_message(token_type::end_of_input))); } // in case of an error, return discarded value if (sdp.is_errored()) { result = value_t::discarded; return; } // set top-level value to null if it was discarded by the callback // function if (result.is_discarded()) { result = nullptr; } } else { json_sax_dom_parser sdp(result, allow_exceptions); sax_parse_internal(&sdp); result.assert_invariant(); // in strict mode, input must be completely read if (strict and (get_token() != token_type::end_of_input)) { sdp.parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), exception_message(token_type::end_of_input))); } // in case of an error, return discarded value if (sdp.is_errored()) { result = value_t::discarded; return; } } } /*! @brief public accept interface @param[in] strict whether to expect the last token to be EOF @return whether the input is a proper JSON text */ bool accept(const bool strict = true) { json_sax_acceptor sax_acceptor; return sax_parse(&sax_acceptor, strict); } template bool sax_parse(SAX* sax, const bool strict = true) { (void)detail::is_sax_static_asserts {}; const bool result = sax_parse_internal(sax); // strict mode: next byte must be EOF if (result and strict and (get_token() != token_type::end_of_input)) { return sax->parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), exception_message(token_type::end_of_input))); } return result; } private: template bool sax_parse_internal(SAX* sax) { // stack to remember the hieararchy of structured values we are parsing // true = array; false = object std::vector states; // value to avoid a goto (see comment where set to true) bool skip_to_state_evaluation = false; while (true) { if (not skip_to_state_evaluation) { // invariant: get_token() was called before each iteration switch (last_token) { case token_type::begin_object: { if (JSON_UNLIKELY(not sax->start_object(std::size_t(-1)))) { return false; } // closing } -> we are done if (get_token() == token_type::end_object) { if (JSON_UNLIKELY(not sax->end_object())) { return false; } break; } // parse key if (JSON_UNLIKELY(last_token != token_type::value_string)) { return sax->parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), exception_message(token_type::value_string))); } else { if (JSON_UNLIKELY(not sax->key(m_lexer.get_string()))) { return false; } } // parse separator (:) if (JSON_UNLIKELY(get_token() != token_type::name_separator)) { return sax->parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), exception_message(token_type::name_separator))); } // remember we are now inside an object states.push_back(false); // parse values get_token(); continue; } case token_type::begin_array: { if (JSON_UNLIKELY(not sax->start_array(std::size_t(-1)))) { return false; } // closing ] -> we are done if (get_token() == token_type::end_array) { if (JSON_UNLIKELY(not sax->end_array())) { return false; } break; } // remember we are now inside an array states.push_back(true); // parse values (no need to call get_token) continue; } case token_type::value_float: { const auto res = m_lexer.get_number_float(); if (JSON_UNLIKELY(not std::isfinite(res))) { return sax->parse_error(m_lexer.get_position(), m_lexer.get_token_string(), out_of_range::create(406, "number overflow parsing '" + m_lexer.get_token_string() + "'")); } else { if (JSON_UNLIKELY(not sax->number_float(res, m_lexer.get_string()))) { return false; } break; } } case token_type::literal_false: { if (JSON_UNLIKELY(not sax->boolean(false))) { return false; } break; } case token_type::literal_null: { if (JSON_UNLIKELY(not sax->null())) { return false; } break; } case token_type::literal_true: { if (JSON_UNLIKELY(not sax->boolean(true))) { return false; } break; } case token_type::value_integer: { if (JSON_UNLIKELY(not sax->number_integer(m_lexer.get_number_integer()))) { return false; } break; } case token_type::value_string: { if (JSON_UNLIKELY(not sax->string(m_lexer.get_string()))) { return false; } break; } case token_type::value_unsigned: { if (JSON_UNLIKELY(not sax->number_unsigned(m_lexer.get_number_unsigned()))) { return false; } break; } case token_type::parse_error: { // using "uninitialized" to avoid "expected" message return sax->parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), exception_message(token_type::uninitialized))); } default: // the last token was unexpected { return sax->parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), exception_message(token_type::literal_or_value))); } } } else { skip_to_state_evaluation = false; } // we reached this line after we successfully parsed a value if (states.empty()) { // empty stack: we reached the end of the hieararchy: done return true; } else { if (states.back()) // array { // comma -> next value if (get_token() == token_type::value_separator) { // parse a new value get_token(); continue; } // closing ] if (JSON_LIKELY(last_token == token_type::end_array)) { if (JSON_UNLIKELY(not sax->end_array())) { return false; } // We are done with this array. Before we can parse a // new value, we need to evaluate the new state first. // By setting skip_to_state_evaluation to false, we // are effectively jumping to the beginning of this if. assert(not states.empty()); states.pop_back(); skip_to_state_evaluation = true; continue; } else { return sax->parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), exception_message(token_type::end_array))); } } else // object { // comma -> next value if (get_token() == token_type::value_separator) { // parse key if (JSON_UNLIKELY(get_token() != token_type::value_string)) { return sax->parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), exception_message(token_type::value_string))); } else { if (JSON_UNLIKELY(not sax->key(m_lexer.get_string()))) { return false; } } // parse separator (:) if (JSON_UNLIKELY(get_token() != token_type::name_separator)) { return sax->parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), exception_message(token_type::name_separator))); } // parse values get_token(); continue; } // closing } if (JSON_LIKELY(last_token == token_type::end_object)) { if (JSON_UNLIKELY(not sax->end_object())) { return false; } // We are done with this object. Before we can parse a // new value, we need to evaluate the new state first. // By setting skip_to_state_evaluation to false, we // are effectively jumping to the beginning of this if. assert(not states.empty()); states.pop_back(); skip_to_state_evaluation = true; continue; } else { return sax->parse_error(m_lexer.get_position(), m_lexer.get_token_string(), parse_error::create(101, m_lexer.get_position(), exception_message(token_type::end_object))); } } } } } /// get next token from lexer token_type get_token() { return (last_token = m_lexer.scan()); } std::string exception_message(const token_type expected) { std::string error_msg = "syntax error - "; if (last_token == token_type::parse_error) { error_msg += std::string(m_lexer.get_error_message()) + "; last read: '" + m_lexer.get_token_string() + "'"; } else { error_msg += "unexpected " + std::string(lexer_t::token_type_name(last_token)); } if (expected != token_type::uninitialized) { error_msg += "; expected " + std::string(lexer_t::token_type_name(expected)); } return error_msg; } private: /// callback function const parser_callback_t callback = nullptr; /// the type of the last read token token_type last_token = token_type::uninitialized; /// the lexer lexer_t m_lexer; /// whether to throw exceptions in case of errors const bool allow_exceptions = true; }; } } avogadrolibs-1.100.0/thirdparty/nlohmann/detail/iterators/000077500000000000000000000000001474375334400236255ustar00rootroot00000000000000avogadrolibs-1.100.0/thirdparty/nlohmann/detail/iterators/internal_iterator.hpp000066400000000000000000000012441474375334400300640ustar00rootroot00000000000000#pragma once #include namespace nlohmann { namespace detail { /*! @brief an iterator value @note This structure could easily be a union, but MSVC currently does not allow unions members with complex constructors, see https://github.com/nlohmann/json/pull/105. */ template struct internal_iterator { /// iterator for JSON objects typename BasicJsonType::object_t::iterator object_iterator {}; /// iterator for JSON arrays typename BasicJsonType::array_t::iterator array_iterator {}; /// generic iterator for all other types primitive_iterator_t primitive_iterator {}; }; } } avogadrolibs-1.100.0/thirdparty/nlohmann/detail/iterators/iter_impl.hpp000066400000000000000000000423071474375334400263300ustar00rootroot00000000000000#pragma once #include // not #include // iterator, random_access_iterator_tag, bidirectional_iterator_tag, advance, next #include // conditional, is_const, remove_const #include #include #include #include #include #include namespace nlohmann { namespace detail { // forward declare, to be able to friend it later on template class iteration_proxy; /*! @brief a template for a bidirectional iterator for the @ref basic_json class This class implements a both iterators (iterator and const_iterator) for the @ref basic_json class. @note An iterator is called *initialized* when a pointer to a JSON value has been set (e.g., by a constructor or a copy assignment). If the iterator is default-constructed, it is *uninitialized* and most methods are undefined. **The library uses assertions to detect calls on uninitialized iterators.** @requirement The class satisfies the following concept requirements: - [BidirectionalIterator](https://en.cppreference.com/w/cpp/named_req/BidirectionalIterator): The iterator that can be moved can be moved in both directions (i.e. incremented and decremented). @since version 1.0.0, simplified in version 2.0.9, change to bidirectional iterators in version 3.0.0 (see https://github.com/nlohmann/json/issues/593) */ template class iter_impl { /// allow basic_json to access private members friend iter_impl::value, typename std::remove_const::type, const BasicJsonType>::type>; friend BasicJsonType; friend iteration_proxy; using object_t = typename BasicJsonType::object_t; using array_t = typename BasicJsonType::array_t; // make sure BasicJsonType is basic_json or const basic_json static_assert(is_basic_json::type>::value, "iter_impl only accepts (const) basic_json"); public: /// The std::iterator class template (used as a base class to provide typedefs) is deprecated in C++17. /// The C++ Standard has never required user-defined iterators to derive from std::iterator. /// A user-defined iterator should provide publicly accessible typedefs named /// iterator_category, value_type, difference_type, pointer, and reference. /// Note that value_type is required to be non-const, even for constant iterators. using iterator_category = std::bidirectional_iterator_tag; /// the type of the values when the iterator is dereferenced using value_type = typename BasicJsonType::value_type; /// a type to represent differences between iterators using difference_type = typename BasicJsonType::difference_type; /// defines a pointer to the type iterated over (value_type) using pointer = typename std::conditional::value, typename BasicJsonType::const_pointer, typename BasicJsonType::pointer>::type; /// defines a reference to the type iterated over (value_type) using reference = typename std::conditional::value, typename BasicJsonType::const_reference, typename BasicJsonType::reference>::type; /// default constructor iter_impl() = default; /*! @brief constructor for a given JSON instance @param[in] object pointer to a JSON object for this iterator @pre object != nullptr @post The iterator is initialized; i.e. `m_object != nullptr`. */ explicit iter_impl(pointer object) noexcept : m_object(object) { assert(m_object != nullptr); switch (m_object->m_type) { case value_t::object: { m_it.object_iterator = typename object_t::iterator(); break; } case value_t::array: { m_it.array_iterator = typename array_t::iterator(); break; } default: { m_it.primitive_iterator = primitive_iterator_t(); break; } } } /*! @note The conventional copy constructor and copy assignment are implicitly defined. Combined with the following converting constructor and assignment, they support: (1) copy from iterator to iterator, (2) copy from const iterator to const iterator, and (3) conversion from iterator to const iterator. However conversion from const iterator to iterator is not defined. */ /*! @brief converting constructor @param[in] other non-const iterator to copy from @note It is not checked whether @a other is initialized. */ iter_impl(const iter_impl::type>& other) noexcept : m_object(other.m_object), m_it(other.m_it) {} /*! @brief converting assignment @param[in,out] other non-const iterator to copy from @return const/non-const iterator @note It is not checked whether @a other is initialized. */ iter_impl& operator=(const iter_impl::type>& other) noexcept { m_object = other.m_object; m_it = other.m_it; return *this; } private: /*! @brief set the iterator to the first value @pre The iterator is initialized; i.e. `m_object != nullptr`. */ void set_begin() noexcept { assert(m_object != nullptr); switch (m_object->m_type) { case value_t::object: { m_it.object_iterator = m_object->m_value.object->begin(); break; } case value_t::array: { m_it.array_iterator = m_object->m_value.array->begin(); break; } case value_t::null: { // set to end so begin()==end() is true: null is empty m_it.primitive_iterator.set_end(); break; } default: { m_it.primitive_iterator.set_begin(); break; } } } /*! @brief set the iterator past the last value @pre The iterator is initialized; i.e. `m_object != nullptr`. */ void set_end() noexcept { assert(m_object != nullptr); switch (m_object->m_type) { case value_t::object: { m_it.object_iterator = m_object->m_value.object->end(); break; } case value_t::array: { m_it.array_iterator = m_object->m_value.array->end(); break; } default: { m_it.primitive_iterator.set_end(); break; } } } public: /*! @brief return a reference to the value pointed to by the iterator @pre The iterator is initialized; i.e. `m_object != nullptr`. */ reference operator*() const { assert(m_object != nullptr); switch (m_object->m_type) { case value_t::object: { assert(m_it.object_iterator != m_object->m_value.object->end()); return m_it.object_iterator->second; } case value_t::array: { assert(m_it.array_iterator != m_object->m_value.array->end()); return *m_it.array_iterator; } case value_t::null: JSON_THROW(invalid_iterator::create(214, "cannot get value")); default: { if (JSON_LIKELY(m_it.primitive_iterator.is_begin())) { return *m_object; } JSON_THROW(invalid_iterator::create(214, "cannot get value")); } } } /*! @brief dereference the iterator @pre The iterator is initialized; i.e. `m_object != nullptr`. */ pointer operator->() const { assert(m_object != nullptr); switch (m_object->m_type) { case value_t::object: { assert(m_it.object_iterator != m_object->m_value.object->end()); return &(m_it.object_iterator->second); } case value_t::array: { assert(m_it.array_iterator != m_object->m_value.array->end()); return &*m_it.array_iterator; } default: { if (JSON_LIKELY(m_it.primitive_iterator.is_begin())) { return m_object; } JSON_THROW(invalid_iterator::create(214, "cannot get value")); } } } /*! @brief post-increment (it++) @pre The iterator is initialized; i.e. `m_object != nullptr`. */ iter_impl const operator++(int) { auto result = *this; ++(*this); return result; } /*! @brief pre-increment (++it) @pre The iterator is initialized; i.e. `m_object != nullptr`. */ iter_impl& operator++() { assert(m_object != nullptr); switch (m_object->m_type) { case value_t::object: { std::advance(m_it.object_iterator, 1); break; } case value_t::array: { std::advance(m_it.array_iterator, 1); break; } default: { ++m_it.primitive_iterator; break; } } return *this; } /*! @brief post-decrement (it--) @pre The iterator is initialized; i.e. `m_object != nullptr`. */ iter_impl const operator--(int) { auto result = *this; --(*this); return result; } /*! @brief pre-decrement (--it) @pre The iterator is initialized; i.e. `m_object != nullptr`. */ iter_impl& operator--() { assert(m_object != nullptr); switch (m_object->m_type) { case value_t::object: { std::advance(m_it.object_iterator, -1); break; } case value_t::array: { std::advance(m_it.array_iterator, -1); break; } default: { --m_it.primitive_iterator; break; } } return *this; } /*! @brief comparison: equal @pre The iterator is initialized; i.e. `m_object != nullptr`. */ bool operator==(const iter_impl& other) const { // if objects are not the same, the comparison is undefined if (JSON_UNLIKELY(m_object != other.m_object)) { JSON_THROW(invalid_iterator::create(212, "cannot compare iterators of different containers")); } assert(m_object != nullptr); switch (m_object->m_type) { case value_t::object: return (m_it.object_iterator == other.m_it.object_iterator); case value_t::array: return (m_it.array_iterator == other.m_it.array_iterator); default: return (m_it.primitive_iterator == other.m_it.primitive_iterator); } } /*! @brief comparison: not equal @pre The iterator is initialized; i.e. `m_object != nullptr`. */ bool operator!=(const iter_impl& other) const { return not operator==(other); } /*! @brief comparison: smaller @pre The iterator is initialized; i.e. `m_object != nullptr`. */ bool operator<(const iter_impl& other) const { // if objects are not the same, the comparison is undefined if (JSON_UNLIKELY(m_object != other.m_object)) { JSON_THROW(invalid_iterator::create(212, "cannot compare iterators of different containers")); } assert(m_object != nullptr); switch (m_object->m_type) { case value_t::object: JSON_THROW(invalid_iterator::create(213, "cannot compare order of object iterators")); case value_t::array: return (m_it.array_iterator < other.m_it.array_iterator); default: return (m_it.primitive_iterator < other.m_it.primitive_iterator); } } /*! @brief comparison: less than or equal @pre The iterator is initialized; i.e. `m_object != nullptr`. */ bool operator<=(const iter_impl& other) const { return not other.operator < (*this); } /*! @brief comparison: greater than @pre The iterator is initialized; i.e. `m_object != nullptr`. */ bool operator>(const iter_impl& other) const { return not operator<=(other); } /*! @brief comparison: greater than or equal @pre The iterator is initialized; i.e. `m_object != nullptr`. */ bool operator>=(const iter_impl& other) const { return not operator<(other); } /*! @brief add to iterator @pre The iterator is initialized; i.e. `m_object != nullptr`. */ iter_impl& operator+=(difference_type i) { assert(m_object != nullptr); switch (m_object->m_type) { case value_t::object: JSON_THROW(invalid_iterator::create(209, "cannot use offsets with object iterators")); case value_t::array: { std::advance(m_it.array_iterator, i); break; } default: { m_it.primitive_iterator += i; break; } } return *this; } /*! @brief subtract from iterator @pre The iterator is initialized; i.e. `m_object != nullptr`. */ iter_impl& operator-=(difference_type i) { return operator+=(-i); } /*! @brief add to iterator @pre The iterator is initialized; i.e. `m_object != nullptr`. */ iter_impl operator+(difference_type i) const { auto result = *this; result += i; return result; } /*! @brief addition of distance and iterator @pre The iterator is initialized; i.e. `m_object != nullptr`. */ friend iter_impl operator+(difference_type i, const iter_impl& it) { auto result = it; result += i; return result; } /*! @brief subtract from iterator @pre The iterator is initialized; i.e. `m_object != nullptr`. */ iter_impl operator-(difference_type i) const { auto result = *this; result -= i; return result; } /*! @brief return difference @pre The iterator is initialized; i.e. `m_object != nullptr`. */ difference_type operator-(const iter_impl& other) const { assert(m_object != nullptr); switch (m_object->m_type) { case value_t::object: JSON_THROW(invalid_iterator::create(209, "cannot use offsets with object iterators")); case value_t::array: return m_it.array_iterator - other.m_it.array_iterator; default: return m_it.primitive_iterator - other.m_it.primitive_iterator; } } /*! @brief access to successor @pre The iterator is initialized; i.e. `m_object != nullptr`. */ reference operator[](difference_type n) const { assert(m_object != nullptr); switch (m_object->m_type) { case value_t::object: JSON_THROW(invalid_iterator::create(208, "cannot use operator[] for object iterators")); case value_t::array: return *std::next(m_it.array_iterator, n); case value_t::null: JSON_THROW(invalid_iterator::create(214, "cannot get value")); default: { if (JSON_LIKELY(m_it.primitive_iterator.get_value() == -n)) { return *m_object; } JSON_THROW(invalid_iterator::create(214, "cannot get value")); } } } /*! @brief return the key of an object iterator @pre The iterator is initialized; i.e. `m_object != nullptr`. */ const typename object_t::key_type& key() const { assert(m_object != nullptr); if (JSON_LIKELY(m_object->is_object())) { return m_it.object_iterator->first; } JSON_THROW(invalid_iterator::create(207, "cannot use key() for non-object iterators")); } /*! @brief return the value of an iterator @pre The iterator is initialized; i.e. `m_object != nullptr`. */ reference value() const { return operator*(); } private: /// associated JSON instance pointer m_object = nullptr; /// the actual iterator of the associated instance internal_iterator::type> m_it; }; } } avogadrolibs-1.100.0/thirdparty/nlohmann/detail/iterators/iteration_proxy.hpp000066400000000000000000000073101474375334400275760ustar00rootroot00000000000000#pragma once #include // size_t #include // string, to_string #include // input_iterator_tag #include namespace nlohmann { namespace detail { /// proxy class for the items() function template class iteration_proxy { private: /// helper class for iteration class iteration_proxy_internal { public: using difference_type = std::ptrdiff_t; using value_type = iteration_proxy_internal; using pointer = iteration_proxy_internal*; using reference = iteration_proxy_internal&; using iterator_category = std::input_iterator_tag; private: /// the iterator IteratorType anchor; /// an index for arrays (used to create key names) std::size_t array_index = 0; /// last stringified array index mutable std::size_t array_index_last = 0; /// a string representation of the array index mutable std::string array_index_str = "0"; /// an empty string (to return a reference for primitive values) const std::string empty_str = ""; public: explicit iteration_proxy_internal(IteratorType it) noexcept : anchor(it) {} iteration_proxy_internal(const iteration_proxy_internal&) = default; iteration_proxy_internal& operator=(const iteration_proxy_internal&) = default; /// dereference operator (needed for range-based for) iteration_proxy_internal& operator*() { return *this; } /// increment operator (needed for range-based for) iteration_proxy_internal& operator++() { ++anchor; ++array_index; return *this; } /// equality operator (needed for InputIterator) bool operator==(const iteration_proxy_internal& o) const noexcept { return anchor == o.anchor; } /// inequality operator (needed for range-based for) bool operator!=(const iteration_proxy_internal& o) const noexcept { return anchor != o.anchor; } /// return key of the iterator const std::string& key() const { assert(anchor.m_object != nullptr); switch (anchor.m_object->type()) { // use integer array index as key case value_t::array: { if (array_index != array_index_last) { array_index_str = std::to_string(array_index); array_index_last = array_index; } return array_index_str; } // use key from the object case value_t::object: return anchor.key(); // use an empty key for all primitive types default: return empty_str; } } /// return value of the iterator typename IteratorType::reference value() const { return anchor.value(); } }; /// the container to iterate typename IteratorType::reference container; public: /// construct iteration proxy from a container explicit iteration_proxy(typename IteratorType::reference cont) noexcept : container(cont) {} /// return iterator begin (needed for range-based for) iteration_proxy_internal begin() noexcept { return iteration_proxy_internal(container.begin()); } /// return iterator end (needed for range-based for) iteration_proxy_internal end() noexcept { return iteration_proxy_internal(container.end()); } }; } } avogadrolibs-1.100.0/thirdparty/nlohmann/detail/iterators/json_reverse_iterator.hpp000066400000000000000000000065371474375334400307660ustar00rootroot00000000000000#pragma once #include // ptrdiff_t #include // reverse_iterator #include // declval namespace nlohmann { namespace detail { ////////////////////// // reverse_iterator // ////////////////////// /*! @brief a template for a reverse iterator class @tparam Base the base iterator type to reverse. Valid types are @ref iterator (to create @ref reverse_iterator) and @ref const_iterator (to create @ref const_reverse_iterator). @requirement The class satisfies the following concept requirements: - [BidirectionalIterator](https://en.cppreference.com/w/cpp/named_req/BidirectionalIterator): The iterator that can be moved can be moved in both directions (i.e. incremented and decremented). - [OutputIterator](https://en.cppreference.com/w/cpp/named_req/OutputIterator): It is possible to write to the pointed-to element (only if @a Base is @ref iterator). @since version 1.0.0 */ template class json_reverse_iterator : public std::reverse_iterator { public: using difference_type = std::ptrdiff_t; /// shortcut to the reverse iterator adapter using base_iterator = std::reverse_iterator; /// the reference type for the pointed-to element using reference = typename Base::reference; /// create reverse iterator from iterator explicit json_reverse_iterator(const typename base_iterator::iterator_type& it) noexcept : base_iterator(it) {} /// create reverse iterator from base class explicit json_reverse_iterator(const base_iterator& it) noexcept : base_iterator(it) {} /// post-increment (it++) json_reverse_iterator const operator++(int) { return static_cast(base_iterator::operator++(1)); } /// pre-increment (++it) json_reverse_iterator& operator++() { return static_cast(base_iterator::operator++()); } /// post-decrement (it--) json_reverse_iterator const operator--(int) { return static_cast(base_iterator::operator--(1)); } /// pre-decrement (--it) json_reverse_iterator& operator--() { return static_cast(base_iterator::operator--()); } /// add to iterator json_reverse_iterator& operator+=(difference_type i) { return static_cast(base_iterator::operator+=(i)); } /// add to iterator json_reverse_iterator operator+(difference_type i) const { return static_cast(base_iterator::operator+(i)); } /// subtract from iterator json_reverse_iterator operator-(difference_type i) const { return static_cast(base_iterator::operator-(i)); } /// return difference difference_type operator-(const json_reverse_iterator& other) const { return base_iterator(*this) - base_iterator(other); } /// access to successor reference operator[](difference_type n) const { return *(this->operator+(n)); } /// return the key of an object iterator auto key() const -> decltype(std::declval().key()) { auto it = --this->base(); return it.key(); } /// return the value of an iterator reference value() const { auto it = --this->base(); return it.operator * (); } }; } } avogadrolibs-1.100.0/thirdparty/nlohmann/detail/iterators/primitive_iterator.hpp000066400000000000000000000053061474375334400302630ustar00rootroot00000000000000#pragma once #include // ptrdiff_t #include // numeric_limits namespace nlohmann { namespace detail { /* @brief an iterator for primitive JSON types This class models an iterator for primitive JSON types (boolean, number, string). It's only purpose is to allow the iterator/const_iterator classes to "iterate" over primitive values. Internally, the iterator is modeled by a `difference_type` variable. Value begin_value (`0`) models the begin, end_value (`1`) models past the end. */ class primitive_iterator_t { private: using difference_type = std::ptrdiff_t; static constexpr difference_type begin_value = 0; static constexpr difference_type end_value = begin_value + 1; /// iterator as signed integer type difference_type m_it = (std::numeric_limits::min)(); public: constexpr difference_type get_value() const noexcept { return m_it; } /// set iterator to a defined beginning void set_begin() noexcept { m_it = begin_value; } /// set iterator to a defined past the end void set_end() noexcept { m_it = end_value; } /// return whether the iterator can be dereferenced constexpr bool is_begin() const noexcept { return m_it == begin_value; } /// return whether the iterator is at end constexpr bool is_end() const noexcept { return m_it == end_value; } friend constexpr bool operator==(primitive_iterator_t lhs, primitive_iterator_t rhs) noexcept { return lhs.m_it == rhs.m_it; } friend constexpr bool operator<(primitive_iterator_t lhs, primitive_iterator_t rhs) noexcept { return lhs.m_it < rhs.m_it; } primitive_iterator_t operator+(difference_type n) noexcept { auto result = *this; result += n; return result; } friend constexpr difference_type operator-(primitive_iterator_t lhs, primitive_iterator_t rhs) noexcept { return lhs.m_it - rhs.m_it; } primitive_iterator_t& operator++() noexcept { ++m_it; return *this; } primitive_iterator_t const operator++(int) noexcept { auto result = *this; ++m_it; return result; } primitive_iterator_t& operator--() noexcept { --m_it; return *this; } primitive_iterator_t const operator--(int) noexcept { auto result = *this; --m_it; return result; } primitive_iterator_t& operator+=(difference_type n) noexcept { m_it += n; return *this; } primitive_iterator_t& operator-=(difference_type n) noexcept { m_it -= n; return *this; } }; } } avogadrolibs-1.100.0/thirdparty/nlohmann/detail/json_pointer.hpp000066400000000000000000000613141474375334400250400ustar00rootroot00000000000000#pragma once #include // assert #include // accumulate #include // string #include // vector #include #include #include namespace nlohmann { template class json_pointer { // allow basic_json to access private members NLOHMANN_BASIC_JSON_TPL_DECLARATION friend class basic_json; public: /*! @brief create JSON pointer Create a JSON pointer according to the syntax described in [Section 3 of RFC6901](https://tools.ietf.org/html/rfc6901#section-3). @param[in] s string representing the JSON pointer; if omitted, the empty string is assumed which references the whole JSON value @throw parse_error.107 if the given JSON pointer @a s is nonempty and does not begin with a slash (`/`); see example below @throw parse_error.108 if a tilde (`~`) in the given JSON pointer @a s is not followed by `0` (representing `~`) or `1` (representing `/`); see example below @liveexample{The example shows the construction several valid JSON pointers as well as the exceptional behavior.,json_pointer} @since version 2.0.0 */ explicit json_pointer(const std::string& s = "") : reference_tokens(split(s)) {} /*! @brief return a string representation of the JSON pointer @invariant For each JSON pointer `ptr`, it holds: @code {.cpp} ptr == json_pointer(ptr.to_string()); @endcode @return a string representation of the JSON pointer @liveexample{The example shows the result of `to_string`., json_pointer__to_string} @since version 2.0.0 */ std::string to_string() const noexcept { return std::accumulate(reference_tokens.begin(), reference_tokens.end(), std::string{}, [](const std::string & a, const std::string & b) { return a + "/" + escape(b); }); } /// @copydoc to_string() operator std::string() const { return to_string(); } /*! @param[in] s reference token to be converted into an array index @return integer representation of @a s @throw out_of_range.404 if string @a s could not be converted to an integer */ static int array_index(const std::string& s) { std::size_t processed_chars = 0; const int res = std::stoi(s, &processed_chars); // check if the string was completely read if (JSON_UNLIKELY(processed_chars != s.size())) { JSON_THROW(detail::out_of_range::create(404, "unresolved reference token '" + s + "'")); } return res; } private: /*! @brief remove and return last reference pointer @throw out_of_range.405 if JSON pointer has no parent */ std::string pop_back() { if (JSON_UNLIKELY(is_root())) { JSON_THROW(detail::out_of_range::create(405, "JSON pointer has no parent")); } auto last = reference_tokens.back(); reference_tokens.pop_back(); return last; } /// return whether pointer points to the root document bool is_root() const { return reference_tokens.empty(); } json_pointer top() const { if (JSON_UNLIKELY(is_root())) { JSON_THROW(detail::out_of_range::create(405, "JSON pointer has no parent")); } json_pointer result = *this; result.reference_tokens = {reference_tokens[0]}; return result; } /*! @brief create and return a reference to the pointed to value @complexity Linear in the number of reference tokens. @throw parse_error.109 if array index is not a number @throw type_error.313 if value cannot be unflattened */ BasicJsonType& get_and_create(BasicJsonType& j) const { using size_type = typename BasicJsonType::size_type; auto result = &j; // in case no reference tokens exist, return a reference to the JSON value // j which will be overwritten by a primitive value for (const auto& reference_token : reference_tokens) { switch (result->m_type) { case detail::value_t::null: { if (reference_token == "0") { // start a new array if reference token is 0 result = &result->operator[](0); } else { // start a new object otherwise result = &result->operator[](reference_token); } break; } case detail::value_t::object: { // create an entry in the object result = &result->operator[](reference_token); break; } case detail::value_t::array: { // create an entry in the array JSON_TRY { result = &result->operator[](static_cast(array_index(reference_token))); } JSON_CATCH(std::invalid_argument&) { JSON_THROW(detail::parse_error::create(109, 0, "array index '" + reference_token + "' is not a number")); } break; } /* The following code is only reached if there exists a reference token _and_ the current value is primitive. In this case, we have an error situation, because primitive values may only occur as single value; that is, with an empty list of reference tokens. */ default: JSON_THROW(detail::type_error::create(313, "invalid value to unflatten")); } } return *result; } /*! @brief return a reference to the pointed to value @note This version does not throw if a value is not present, but tries to create nested values instead. For instance, calling this function with pointer `"/this/that"` on a null value is equivalent to calling `operator[]("this").operator[]("that")` on that value, effectively changing the null value to an object. @param[in] ptr a JSON value @return reference to the JSON value pointed to by the JSON pointer @complexity Linear in the length of the JSON pointer. @throw parse_error.106 if an array index begins with '0' @throw parse_error.109 if an array index was not a number @throw out_of_range.404 if the JSON pointer can not be resolved */ BasicJsonType& get_unchecked(BasicJsonType* ptr) const { using size_type = typename BasicJsonType::size_type; for (const auto& reference_token : reference_tokens) { // convert null values to arrays or objects before continuing if (ptr->m_type == detail::value_t::null) { // check if reference token is a number const bool nums = std::all_of(reference_token.begin(), reference_token.end(), [](const char x) { return (x >= '0' and x <= '9'); }); // change value to array for numbers or "-" or to object otherwise *ptr = (nums or reference_token == "-") ? detail::value_t::array : detail::value_t::object; } switch (ptr->m_type) { case detail::value_t::object: { // use unchecked object access ptr = &ptr->operator[](reference_token); break; } case detail::value_t::array: { // error condition (cf. RFC 6901, Sect. 4) if (JSON_UNLIKELY(reference_token.size() > 1 and reference_token[0] == '0')) { JSON_THROW(detail::parse_error::create(106, 0, "array index '" + reference_token + "' must not begin with '0'")); } if (reference_token == "-") { // explicitly treat "-" as index beyond the end ptr = &ptr->operator[](ptr->m_value.array->size()); } else { // convert array index to number; unchecked access JSON_TRY { ptr = &ptr->operator[]( static_cast(array_index(reference_token))); } JSON_CATCH(std::invalid_argument&) { JSON_THROW(detail::parse_error::create(109, 0, "array index '" + reference_token + "' is not a number")); } } break; } default: JSON_THROW(detail::out_of_range::create(404, "unresolved reference token '" + reference_token + "'")); } } return *ptr; } /*! @throw parse_error.106 if an array index begins with '0' @throw parse_error.109 if an array index was not a number @throw out_of_range.402 if the array index '-' is used @throw out_of_range.404 if the JSON pointer can not be resolved */ BasicJsonType& get_checked(BasicJsonType* ptr) const { using size_type = typename BasicJsonType::size_type; for (const auto& reference_token : reference_tokens) { switch (ptr->m_type) { case detail::value_t::object: { // note: at performs range check ptr = &ptr->at(reference_token); break; } case detail::value_t::array: { if (JSON_UNLIKELY(reference_token == "-")) { // "-" always fails the range check JSON_THROW(detail::out_of_range::create(402, "array index '-' (" + std::to_string(ptr->m_value.array->size()) + ") is out of range")); } // error condition (cf. RFC 6901, Sect. 4) if (JSON_UNLIKELY(reference_token.size() > 1 and reference_token[0] == '0')) { JSON_THROW(detail::parse_error::create(106, 0, "array index '" + reference_token + "' must not begin with '0'")); } // note: at performs range check JSON_TRY { ptr = &ptr->at(static_cast(array_index(reference_token))); } JSON_CATCH(std::invalid_argument&) { JSON_THROW(detail::parse_error::create(109, 0, "array index '" + reference_token + "' is not a number")); } break; } default: JSON_THROW(detail::out_of_range::create(404, "unresolved reference token '" + reference_token + "'")); } } return *ptr; } /*! @brief return a const reference to the pointed to value @param[in] ptr a JSON value @return const reference to the JSON value pointed to by the JSON pointer @throw parse_error.106 if an array index begins with '0' @throw parse_error.109 if an array index was not a number @throw out_of_range.402 if the array index '-' is used @throw out_of_range.404 if the JSON pointer can not be resolved */ const BasicJsonType& get_unchecked(const BasicJsonType* ptr) const { using size_type = typename BasicJsonType::size_type; for (const auto& reference_token : reference_tokens) { switch (ptr->m_type) { case detail::value_t::object: { // use unchecked object access ptr = &ptr->operator[](reference_token); break; } case detail::value_t::array: { if (JSON_UNLIKELY(reference_token == "-")) { // "-" cannot be used for const access JSON_THROW(detail::out_of_range::create(402, "array index '-' (" + std::to_string(ptr->m_value.array->size()) + ") is out of range")); } // error condition (cf. RFC 6901, Sect. 4) if (JSON_UNLIKELY(reference_token.size() > 1 and reference_token[0] == '0')) { JSON_THROW(detail::parse_error::create(106, 0, "array index '" + reference_token + "' must not begin with '0'")); } // use unchecked array access JSON_TRY { ptr = &ptr->operator[]( static_cast(array_index(reference_token))); } JSON_CATCH(std::invalid_argument&) { JSON_THROW(detail::parse_error::create(109, 0, "array index '" + reference_token + "' is not a number")); } break; } default: JSON_THROW(detail::out_of_range::create(404, "unresolved reference token '" + reference_token + "'")); } } return *ptr; } /*! @throw parse_error.106 if an array index begins with '0' @throw parse_error.109 if an array index was not a number @throw out_of_range.402 if the array index '-' is used @throw out_of_range.404 if the JSON pointer can not be resolved */ const BasicJsonType& get_checked(const BasicJsonType* ptr) const { using size_type = typename BasicJsonType::size_type; for (const auto& reference_token : reference_tokens) { switch (ptr->m_type) { case detail::value_t::object: { // note: at performs range check ptr = &ptr->at(reference_token); break; } case detail::value_t::array: { if (JSON_UNLIKELY(reference_token == "-")) { // "-" always fails the range check JSON_THROW(detail::out_of_range::create(402, "array index '-' (" + std::to_string(ptr->m_value.array->size()) + ") is out of range")); } // error condition (cf. RFC 6901, Sect. 4) if (JSON_UNLIKELY(reference_token.size() > 1 and reference_token[0] == '0')) { JSON_THROW(detail::parse_error::create(106, 0, "array index '" + reference_token + "' must not begin with '0'")); } // note: at performs range check JSON_TRY { ptr = &ptr->at(static_cast(array_index(reference_token))); } JSON_CATCH(std::invalid_argument&) { JSON_THROW(detail::parse_error::create(109, 0, "array index '" + reference_token + "' is not a number")); } break; } default: JSON_THROW(detail::out_of_range::create(404, "unresolved reference token '" + reference_token + "'")); } } return *ptr; } /*! @brief split the string input to reference tokens @note This function is only called by the json_pointer constructor. All exceptions below are documented there. @throw parse_error.107 if the pointer is not empty or begins with '/' @throw parse_error.108 if character '~' is not followed by '0' or '1' */ static std::vector split(const std::string& reference_string) { std::vector result; // special case: empty reference string -> no reference tokens if (reference_string.empty()) { return result; } // check if nonempty reference string begins with slash if (JSON_UNLIKELY(reference_string[0] != '/')) { JSON_THROW(detail::parse_error::create(107, 1, "JSON pointer must be empty or begin with '/' - was: '" + reference_string + "'")); } // extract the reference tokens: // - slash: position of the last read slash (or end of string) // - start: position after the previous slash for ( // search for the first slash after the first character std::size_t slash = reference_string.find_first_of('/', 1), // set the beginning of the first reference token start = 1; // we can stop if start == string::npos+1 = 0 start != 0; // set the beginning of the next reference token // (will eventually be 0 if slash == std::string::npos) start = slash + 1, // find next slash slash = reference_string.find_first_of('/', start)) { // use the text between the beginning of the reference token // (start) and the last slash (slash). auto reference_token = reference_string.substr(start, slash - start); // check reference tokens are properly escaped for (std::size_t pos = reference_token.find_first_of('~'); pos != std::string::npos; pos = reference_token.find_first_of('~', pos + 1)) { assert(reference_token[pos] == '~'); // ~ must be followed by 0 or 1 if (JSON_UNLIKELY(pos == reference_token.size() - 1 or (reference_token[pos + 1] != '0' and reference_token[pos + 1] != '1'))) { JSON_THROW(detail::parse_error::create(108, 0, "escape character '~' must be followed with '0' or '1'")); } } // finally, store the reference token unescape(reference_token); result.push_back(reference_token); } return result; } /*! @brief replace all occurrences of a substring by another string @param[in,out] s the string to manipulate; changed so that all occurrences of @a f are replaced with @a t @param[in] f the substring to replace with @a t @param[in] t the string to replace @a f @pre The search string @a f must not be empty. **This precondition is enforced with an assertion.** @since version 2.0.0 */ static void replace_substring(std::string& s, const std::string& f, const std::string& t) { assert(not f.empty()); for (auto pos = s.find(f); // find first occurrence of f pos != std::string::npos; // make sure f was found s.replace(pos, f.size(), t), // replace with t, and pos = s.find(f, pos + t.size())) // find next occurrence of f {} } /// escape "~"" to "~0" and "/" to "~1" static std::string escape(std::string s) { replace_substring(s, "~", "~0"); replace_substring(s, "/", "~1"); return s; } /// unescape "~1" to tilde and "~0" to slash (order is important!) static void unescape(std::string& s) { replace_substring(s, "~1", "/"); replace_substring(s, "~0", "~"); } /*! @param[in] reference_string the reference string to the current value @param[in] value the value to consider @param[in,out] result the result object to insert values to @note Empty objects or arrays are flattened to `null`. */ static void flatten(const std::string& reference_string, const BasicJsonType& value, BasicJsonType& result) { switch (value.m_type) { case detail::value_t::array: { if (value.m_value.array->empty()) { // flatten empty array as null result[reference_string] = nullptr; } else { // iterate array and use index as reference string for (std::size_t i = 0; i < value.m_value.array->size(); ++i) { flatten(reference_string + "/" + std::to_string(i), value.m_value.array->operator[](i), result); } } break; } case detail::value_t::object: { if (value.m_value.object->empty()) { // flatten empty object as null result[reference_string] = nullptr; } else { // iterate object and use keys as reference string for (const auto& element : *value.m_value.object) { flatten(reference_string + "/" + escape(element.first), element.second, result); } } break; } default: { // add primitive value with its reference string result[reference_string] = value; break; } } } /*! @param[in] value flattened JSON @return unflattened JSON @throw parse_error.109 if array index is not a number @throw type_error.314 if value is not an object @throw type_error.315 if object values are not primitive @throw type_error.313 if value cannot be unflattened */ static BasicJsonType unflatten(const BasicJsonType& value) { if (JSON_UNLIKELY(not value.is_object())) { JSON_THROW(detail::type_error::create(314, "only objects can be unflattened")); } BasicJsonType result; // iterate the JSON object values for (const auto& element : *value.m_value.object) { if (JSON_UNLIKELY(not element.second.is_primitive())) { JSON_THROW(detail::type_error::create(315, "values in object must be primitive")); } // assign value to reference pointed to by JSON pointer; Note that if // the JSON pointer is "" (i.e., points to the whole value), function // get_and_create returns a reference to result itself. An assignment // will then create a primitive value. json_pointer(element.first).get_and_create(result) = element.second; } return result; } friend bool operator==(json_pointer const& lhs, json_pointer const& rhs) noexcept { return (lhs.reference_tokens == rhs.reference_tokens); } friend bool operator!=(json_pointer const& lhs, json_pointer const& rhs) noexcept { return not (lhs == rhs); } /// the reference tokens std::vector reference_tokens; }; } avogadrolibs-1.100.0/thirdparty/nlohmann/detail/json_ref.hpp000066400000000000000000000026001474375334400241250ustar00rootroot00000000000000#pragma once #include #include namespace nlohmann { namespace detail { template class json_ref { public: using value_type = BasicJsonType; json_ref(value_type&& value) : owned_value(std::move(value)), value_ref(&owned_value), is_rvalue(true) {} json_ref(const value_type& value) : value_ref(const_cast(&value)), is_rvalue(false) {} json_ref(std::initializer_list init) : owned_value(init), value_ref(&owned_value), is_rvalue(true) {} template json_ref(Args&& ... args) : owned_value(std::forward(args)...), value_ref(&owned_value), is_rvalue(true) {} // class should be movable only json_ref(json_ref&&) = default; json_ref(const json_ref&) = delete; json_ref& operator=(const json_ref&) = delete; value_type moved_or_copied() const { if (is_rvalue) { return std::move(*value_ref); } return *value_ref; } value_type const& operator*() const { return *static_cast(value_ref); } value_type const* operator->() const { return static_cast(value_ref); } private: mutable value_type owned_value = nullptr; value_type* value_ref = nullptr; const bool is_rvalue; }; } } avogadrolibs-1.100.0/thirdparty/nlohmann/detail/macro_scope.hpp000066400000000000000000000076751474375334400246330ustar00rootroot00000000000000#pragma once // This file contains all internal macro definitions // You MUST include macro_unscope.hpp at the end of json.hpp to undef all of them // exclude unsupported compilers #if !defined(JSON_SKIP_UNSUPPORTED_COMPILER_CHECK) #if defined(__clang__) #if (__clang_major__ * 10000 + __clang_minor__ * 100 + __clang_patchlevel__) < 30400 #error "unsupported Clang version - see https://github.com/nlohmann/json#supported-compilers" #endif #elif defined(__GNUC__) && !(defined(__ICC) || defined(__INTEL_COMPILER)) #if (__GNUC__ * 10000 + __GNUC_MINOR__ * 100 + __GNUC_PATCHLEVEL__) < 40800 #error "unsupported GCC version - see https://github.com/nlohmann/json#supported-compilers" #endif #endif #endif // disable float-equal warnings on GCC/clang #if defined(__clang__) || defined(__GNUC__) || defined(__GNUG__) #pragma GCC diagnostic push #pragma GCC diagnostic ignored "-Wfloat-equal" #endif // disable documentation warnings on clang #if defined(__clang__) #pragma GCC diagnostic push #pragma GCC diagnostic ignored "-Wdocumentation" #endif // allow for portable deprecation warnings #if defined(__clang__) || defined(__GNUC__) || defined(__GNUG__) #define JSON_DEPRECATED __attribute__((deprecated)) #elif defined(_MSC_VER) #define JSON_DEPRECATED __declspec(deprecated) #else #define JSON_DEPRECATED #endif // allow to disable exceptions #if (defined(__cpp_exceptions) || defined(__EXCEPTIONS) || defined(_CPPUNWIND)) && !defined(JSON_NOEXCEPTION) #define JSON_THROW(exception) throw exception #define JSON_TRY try #define JSON_CATCH(exception) catch(exception) #define JSON_INTERNAL_CATCH(exception) catch(exception) #else #define JSON_THROW(exception) std::abort() #define JSON_TRY if(true) #define JSON_CATCH(exception) if(false) #define JSON_INTERNAL_CATCH(exception) if(false) #endif // override exception macros #if defined(JSON_THROW_USER) #undef JSON_THROW #define JSON_THROW JSON_THROW_USER #endif #if defined(JSON_TRY_USER) #undef JSON_TRY #define JSON_TRY JSON_TRY_USER #endif #if defined(JSON_CATCH_USER) #undef JSON_CATCH #define JSON_CATCH JSON_CATCH_USER #undef JSON_INTERNAL_CATCH #define JSON_INTERNAL_CATCH JSON_CATCH_USER #endif #if defined(JSON_INTERNAL_CATCH_USER) #undef JSON_INTERNAL_CATCH #define JSON_INTERNAL_CATCH JSON_INTERNAL_CATCH_USER #endif // manual branch prediction #if defined(__clang__) || defined(__GNUC__) || defined(__GNUG__) #define JSON_LIKELY(x) __builtin_expect(!!(x), 1) #define JSON_UNLIKELY(x) __builtin_expect(!!(x), 0) #else #define JSON_LIKELY(x) x #define JSON_UNLIKELY(x) x #endif // C++ language standard detection #if (defined(__cplusplus) && __cplusplus >= 201703L) || (defined(_HAS_CXX17) && _HAS_CXX17 == 1) // fix for issue #464 #define JSON_HAS_CPP_17 #define JSON_HAS_CPP_14 #elif (defined(__cplusplus) && __cplusplus >= 201402L) || (defined(_HAS_CXX14) && _HAS_CXX14 == 1) #define JSON_HAS_CPP_14 #endif // Ugly macros to avoid uglier copy-paste when specializing basic_json. They // may be removed in the future once the class is split. #define NLOHMANN_BASIC_JSON_TPL_DECLARATION \ template class ObjectType, \ template class ArrayType, \ class StringType, class BooleanType, class NumberIntegerType, \ class NumberUnsignedType, class NumberFloatType, \ template class AllocatorType, \ template class JSONSerializer> #define NLOHMANN_BASIC_JSON_TPL \ basic_json avogadrolibs-1.100.0/thirdparty/nlohmann/detail/macro_unscope.hpp000066400000000000000000000007561474375334400251670ustar00rootroot00000000000000#pragma once // restore GCC/clang diagnostic settings #if defined(__clang__) || defined(__GNUC__) || defined(__GNUG__) #pragma GCC diagnostic pop #endif #if defined(__clang__) #pragma GCC diagnostic pop #endif // clean up #undef JSON_INTERNAL_CATCH #undef JSON_CATCH #undef JSON_THROW #undef JSON_TRY #undef JSON_LIKELY #undef JSON_UNLIKELY #undef JSON_DEPRECATED #undef JSON_HAS_CPP_14 #undef JSON_HAS_CPP_17 #undef NLOHMANN_BASIC_JSON_TPL_DECLARATION #undef NLOHMANN_BASIC_JSON_TPL avogadrolibs-1.100.0/thirdparty/nlohmann/detail/meta/000077500000000000000000000000001474375334400225375ustar00rootroot00000000000000avogadrolibs-1.100.0/thirdparty/nlohmann/detail/meta/cpp_future.hpp000066400000000000000000000034321474375334400254260ustar00rootroot00000000000000#pragma once #include // not #include // size_t #include // conditional, enable_if, false_type, integral_constant, is_constructible, is_integral, is_same, remove_cv, remove_reference, true_type namespace nlohmann { namespace detail { // alias templates to reduce boilerplate template using enable_if_t = typename std::enable_if::type; template using uncvref_t = typename std::remove_cv::type>::type; // implementation of C++14 index_sequence and affiliates // source: https://stackoverflow.com/a/32223343 template struct index_sequence { using type = index_sequence; using value_type = std::size_t; static constexpr std::size_t size() noexcept { return sizeof...(Ints); } }; template struct merge_and_renumber; template struct merge_and_renumber, index_sequence> : index_sequence < I1..., (sizeof...(I1) + I2)... > {}; template struct make_index_sequence : merge_and_renumber < typename make_index_sequence < N / 2 >::type, typename make_index_sequence < N - N / 2 >::type > {}; template<> struct make_index_sequence<0> : index_sequence<> {}; template<> struct make_index_sequence<1> : index_sequence<0> {}; template using index_sequence_for = make_index_sequence; // dispatch utility (taken from ranges-v3) template struct priority_tag : priority_tag < N - 1 > {}; template<> struct priority_tag<0> {}; // taken from ranges-v3 template struct static_const { static constexpr T value{}; }; template constexpr T static_const::value; } } avogadrolibs-1.100.0/thirdparty/nlohmann/detail/meta/detected.hpp000066400000000000000000000030561474375334400250350ustar00rootroot00000000000000#pragma once #include #include // http://en.cppreference.com/w/cpp/experimental/is_detected namespace nlohmann { namespace detail { struct nonesuch { nonesuch() = delete; ~nonesuch() = delete; nonesuch(nonesuch const&) = delete; void operator=(nonesuch const&) = delete; }; template class Op, class... Args> struct detector { using value_t = std::false_type; using type = Default; }; template class Op, class... Args> struct detector>, Op, Args...> { using value_t = std::true_type; using type = Op; }; template